{"question": "Retrieve the total magnetization value for the material identified by material ID 2dm-9.", "refer_dataset": "table67", "column names": ["material_id", "total_magnetization"], "condition_column": ["material_id"], "answer_column": ["total_magnetization"], "condition": {"material_id": "2dm-9"}, "tool": "search_value", "answer": {"total_magnetization": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the total magnetization value for the material identified by material ID {}."}
{"question": "Determine the similarity score for YbFeO3 perovskite with feature 45 set to 0.014474.", "refer_dataset": "table14", "column names": ["Perovskite", "45", "similarity"], "condition_column": ["Perovskite", "45"], "answer_column": ["similarity"], "condition": {"Perovskite": "YbFeO3", "45": "0.014474"}, "tool": "search_value", "answer": {"similarity": "0.300885"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the similarity score for {} perovskite with feature 45 set to {}."}
{"question": "Determine the molar mass (M) of a material with bandgap energy (Eg) of 3.97 eV.", "refer_dataset": "table2", "column names": ["Eg(eV)", "M"], "condition_column": ["Eg(eV)"], "answer_column": ["M"], "condition": {"Eg(eV)": "3.97"}, "tool": "search_value", "answer": {"M": "251.89"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the molar mass (M) of a material with bandgap energy (Eg) of {} eV."}
{"question": "Return the source identifier for the compound with total magnetization 0.0887066.", "refer_dataset": "table67", "column names": ["total_magnetization", "source_id"], "condition_column": ["total_magnetization"], "answer_column": ["source_id"], "condition": {"total_magnetization": "0.0887066"}, "tool": "search_value", "answer": {"source_id": "mvc-12841"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Return the source identifier for the compound with total magnetization {}."}
{"question": "Given PBE and HSE bandgaps of 1.79 eV and 2.64 eV, what is the refractive index (Ref_ind) of the material?", "refer_dataset": "table49", "column names": ["PBE_gap", "HSE_gap", "Ref_ind"], "condition_column": ["PBE_gap", "HSE_gap"], "answer_column": ["Ref_ind"], "condition": {"PBE_gap": "1.79", "HSE_gap": "2.64"}, "tool": "search_value", "answer": {"Ref_ind": "2.26"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given PBE and HSE bandgaps of {} eV and {} eV, what is the refractive index (Ref_ind) of the material?"}
{"question": "Which perovskite material has a value of LaNiO3 in feature 10?", "refer_dataset": "table14", "column names": ["Perovskite", "10"], "condition_column": ["Perovskite"], "answer_column": ["10"], "condition": {"Perovskite": "LaNiO3"}, "tool": "search_value", "answer": {"10": "-0.03765"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which perovskite material has a value of {} in feature 10?"}
{"question": "What is the total energy per atom for the material with source ID mp-571279 and a bandgap of 0.8628000000000002?", "refer_dataset": "table67", "column names": ["source_id", "bandgap", "energy_per_atom"], "condition_column": ["source_id", "bandgap"], "answer_column": ["energy_per_atom"], "condition": {"source_id": "mp-571279", "bandgap": "0.8628000000000002"}, "tool": "search_value", "answer": {"energy_per_atom": "-6.031051546666667"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total energy per atom for the material with source ID {} and a bandgap of {}?"}
{"question": "Identify the carbon deficit percentage for resource type 2,8 at a furnace length of STD mm.", "refer_dataset": "table27", "column names": ["C missing(%)", "Resource", "furnace length(mm)"], "condition_column": ["C missing(%)", "Resource"], "answer_column": ["furnace length(mm)"], "condition": {"C missing(%)": "2,8", "Resource": "STD"}, "tool": "search_value", "answer": {"furnace length(mm)": "270"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the carbon deficit percentage for resource type {} at a furnace length of {} mm."}
{"question": "Find the unique identifier (ID) for the material with formula Tb1Th3.4Ru0.6B4.", "refer_dataset": "table65", "column names": ["formula", "id"], "condition_column": ["formula"], "answer_column": ["id"], "condition": {"formula": "Tb1Th3.4Ru0.6B4"}, "tool": "search_value", "answer": {"id": "1524"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the unique identifier (ID) for the material with formula {}."}
{"question": "What reaction conditions are specified for the catalyst 9,3%NiPt(3:1)/Al2O3?", "refer_dataset": "table30", "column names": ["Catalyst", "Reaction"], "condition_column": ["Catalyst"], "answer_column": ["Reaction"], "condition": {"Catalyst": "9,3%NiPt(3:1)/Al2O3"}, "tool": "search_value", "answer": {"Reaction": "{'Reaction': 'CO2methanation', 'Temperature': '250oC', 'Pressure': '1atm', 'FlowGasComposition': '10%CO2,40%H2,5%N2,45%He', 'GasFlowrate': '50mL/min', 'GHSV': 'nodata', 'Catalystmass': '100mg', 'TOF': 'nodata', 'Conversion': 'nodata', 'Selectivity': '48,2%', 'Yield': 'nodata', 'Article': 'IsolatedPlatinumAtomsinNi/γ-Al2O3forSelectiveHydrogenationofCO2towardCH4', 'Id': ''}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reaction conditions are specified for the catalyst {}?"}
{"question": "Determine the mean Bertz complexity index for the molecule with SMILES C(CCN1CCOCCOCCOCCOCC1)CCN1CCOCCOCCOCCOCC1.", "refer_dataset": "table41", "column names": ["osda smiles", "bertz_ct_mean_0"], "condition_column": ["osda smiles"], "answer_column": ["bertz_ct_mean_0"], "condition": {"osda smiles": "C(CCN1CCOCCOCCOCCOCC1)CCN1CCOCCOCCOCCOCC1"}, "tool": "search_value", "answer": {"bertz_ct_mean_0": "2139.7860728533324"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the mean Bertz complexity index for the molecule with SMILES {}."}
{"question": "What is the ID of the MOF with a maximum CO₂ adsorption of 3.79473, pore limiting diameter of 12.25 Å, and surface area of 4517.7 m²/g?", "refer_dataset": "table50", "column names": ["max_co2_adsp", "pld", "surface_area_m2g", "id"], "condition_column": ["max_co2_adsp", "pld", "surface_area_m2g"], "answer_column": ["id"], "condition": {"max_co2_adsp": "3.79473", "pld": "12.25", "surface_area_m2g": "4517.7"}, "tool": "search_value", "answer": {"id": "hMOF-5053949"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ID of the MOF with a maximum CO₂ adsorption of {}, pore limiting diameter of {} Å, and surface area of {} m²/g?"}
{"question": "What is the largest cavity diameter of an MOF with minimum adsorption 0.000478011, void fraction 0.12992, and pressure [0.01, 0.05, 0.1, 0.5, 2.5] bar?", "refer_dataset": "table50", "column names": ["min_co2_adsp", "void_fraction", "co2_pressures", "lcd"], "condition_column": ["min_co2_adsp", "void_fraction", "co2_pressures"], "answer_column": ["lcd"], "condition": {"min_co2_adsp": "0.000478011", "void_fraction": "0.12992", "co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "tool": "search_value", "answer": {"lcd": "3.75"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the largest cavity diameter of an MOF with minimum adsorption {}, void fraction {}, and pressure {} bar?"}
{"question": "Report the density of element B (ρb) for the material BaTi0.98Mo0.02O3.", "refer_dataset": "table3", "column names": ["Materials", "ρb"], "condition_column": ["Materials"], "answer_column": ["ρb"], "condition": {"Materials": "BaTi0.98Mo0.02O3"}, "tool": "search_value", "answer": {"ρb": "4.62"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the density of element B (ρb) for the material {}."}
{"question": "What is the electronic spatial extent (r2) for the material with identifier 3.0, HOMO energy -7.741639137268066, and LUMO energy 1.3768961429595947?", "refer_dataset": "table60", "column names": ["id", "homo", "lumo", "r2"], "condition_column": ["id", "homo", "lumo"], "answer_column": ["r2"], "condition": {"id": "3.0", "homo": "-7.741639137268066", "lumo": "1.3768961429595947"}, "tool": "search_value", "answer": {"r2": "59.52479934692383"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic spatial extent (r2) for the material with identifier {}, HOMO energy {}, and LUMO energy {}?"}
{"question": "What is the adsorbed hydrogen (H*) identifier for species CO2?", "refer_dataset": "table18", "column names": ["a", "a_key"], "condition_column": ["a"], "answer_column": ["a_key"], "condition": {"a": "CO2"}, "tool": "search_value", "answer": {"a_key": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the adsorbed hydrogen (H*) identifier for species {}?"}
{"question": "Which secondary cation occupies the A2 site in the perovskite material HTiTaO5?", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "A2 site"], "condition_column": ["Full Name of Perovskite"], "answer_column": ["A2 site"], "condition": {"Full Name of Perovskite": "HTiTaO5"}, "tool": "search_value", "answer": {"A2 site": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which secondary cation occupies the A2 site in the perovskite material {}?"}
{"question": "What catalyst/pollutant ratio achieves 73.0% degradation for MB at 600°C calcination?", "refer_dataset": "table8", "column names": ["Degradation rate(%)", "Pollutant", "Calcination temperature(°C)", "Catalyst/Pollutant mass ratio"], "condition_column": ["Degradation rate(%)", "Pollutant", "Calcination temperature(°C)"], "answer_column": ["Catalyst/Pollutant mass ratio"], "condition": {"Degradation rate(%)": "73.0", "Pollutant": "MB", "Calcination temperature(°C)": "600"}, "tool": "search_value", "answer": {"Catalyst/Pollutant mass ratio": "50.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What catalyst/pollutant ratio achieves {}% degradation for {} at {}°C calcination?"}
{"question": "What Bohr magnetons per formula unit (µ_B/f.u.) are reported for sentence number 39?", "refer_dataset": "table32", "column names": ["sentence", "µ_B/f.u."], "condition_column": ["sentence"], "answer_column": ["µ_B/f.u."], "condition": {"sentence": "39"}, "tool": "search_value", "answer": {"µ_B/f.u.": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What Bohr magnetons per formula unit (µ_B/f.u.) are reported for sentence number {}?"}
{"question": "What is the melting temperature of component A (A_Tm) for the material LaFe0.85Ti0.15O3?", "refer_dataset": "table2", "column names": ["Materials", "A_Tm"], "condition_column": ["Materials"], "answer_column": ["A_Tm"], "condition": {"Materials": "LaFe0.85Ti0.15O3"}, "tool": "search_value", "answer": {"A_Tm": "918.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the melting temperature of component A (A_Tm) for the material {}?"}
{"question": "Determine catalyst weight (g/L) for materials with bandgap 3.2 eV and surface area 2.7 m²/g.", "refer_dataset": "table4", "column names": ["BandGap(eV)", "Surface Area(m2/g)", "CatW(g/L)"], "condition_column": ["BandGap(eV)", "Surface Area(m2/g)"], "answer_column": ["CatW(g/L)"], "condition": {"BandGap(eV)": "3.2", "Surface Area(m2/g)": "2.7"}, "tool": "search_value", "answer": {"CatW(g/L)": "1.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine catalyst weight (g/L) for materials with bandgap {} eV and surface area {} m²/g."}
{"question": "Identify the support material used with primary metal K, secondary metal B, and a conversion yield of 6.7%?", "refer_dataset": "table28", "column names": ["M1", "M2", "C2y", "Support"], "condition_column": ["M1", "M2", "C2y"], "answer_column": ["Support"], "condition": {"M1": "K", "M2": "B", "C2y": "6.7"}, "tool": "search_value", "answer": {"Support": "Al"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the support material used with primary metal {}, secondary metal {}, and a conversion yield of {}%?"}
{"question": "Identify the material dimensionality classification for bulk formula Ru with formation energy 2.7113.", "refer_dataset": "table68", "column names": ["bulk_formula", "ef", "material_type"], "condition_column": ["bulk_formula", "ef"], "answer_column": ["material_type"], "condition": {"bulk_formula": "Ru", "ef": "2.7113"}, "tool": "search_value", "answer": {"material_type": "3D"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the material dimensionality classification for bulk formula {} with formation energy {}."}
{"question": "Which perovskite compound has a value of 0.038092 in feature 30 and a similarity score of 0.288779?", "refer_dataset": "table14", "column names": ["30", "similarity", "Perovskite"], "condition_column": ["30", "similarity"], "answer_column": ["Perovskite"], "condition": {"30": "0.038092", "similarity": "0.288779"}, "tool": "search_value", "answer": {"Perovskite": "SrFeO3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which perovskite compound has a value of {} in feature 30 and a similarity score of {}?"}
{"question": "Identify the ITQ zeolite presence (ITQ) for parameters: HF quantity (HF) no, Water content (H2O) 1.667, and Secondary dense phase material (Dense2) 13.336.", "refer_dataset": "table40", "column names": ["ITQ", "HF", "H2O", "Dense2"], "condition_column": ["ITQ", "HF", "H2O"], "answer_column": ["Dense2"], "condition": {"ITQ": "no", "HF": "1.667", "H2O": "13.336"}, "tool": "search_value", "answer": {"Dense2": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the ITQ zeolite presence (ITQ) for parameters: HF quantity (HF) {}, Water content (H2O) {}, and Secondary dense phase material (Dense2) {}."}
{"question": "Which chemical formula corresponds to the material with ID 14309?", "refer_dataset": "table65", "column names": ["id", "formula"], "condition_column": ["id"], "answer_column": ["formula"], "condition": {"id": "14309"}, "tool": "search_value", "answer": {"formula": "B2Th1"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which chemical formula corresponds to the material with ID {}?"}
{"question": "Determine the reaction temperature needed for a catalyst with primary cation 29.0 and secondary anion 0.0 to achieve a C₂ selectivity abbreviation of 0.0.", "refer_dataset": "table20", "column names": ["Cation1", "Anion2", "C2selec", "Temperature"], "condition_column": ["Cation1", "Anion2", "C2selec"], "answer_column": ["Temperature"], "condition": {"Cation1": "29.0", "Anion2": "0.0", "C2selec": "0.0"}, "tool": "search_value", "answer": {"Temperature": "1073.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the reaction temperature needed for a catalyst with primary cation {} and secondary anion {} to achieve a C₂ selectivity abbreviation of {}."}
{"question": "If the OptB88-vdW VBM is 6.1195 and the alignment offset is 0.5978046988467991, what is the conduction band minimum (CBM)?", "refer_dataset": "table52", "column names": ["optb88vdw_vbm", "offset", "optb88vdw_cbm"], "condition_column": ["optb88vdw_vbm", "offset"], "answer_column": ["optb88vdw_cbm"], "condition": {"optb88vdw_vbm": "6.1195", "offset": "0.5978046988467991"}, "tool": "search_value", "answer": {"optb88vdw_cbm": "6.8134"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If the OptB88-vdW VBM is {} and the alignment offset is {}, what is the conduction band minimum (CBM)?"}
{"question": "Which reference (Ref.) documents a calcination temperature of 400℃?", "refer_dataset": "table11", "column names": ["CT (℃)", "Ref."], "condition_column": ["CT (℃)"], "answer_column": ["Ref."], "condition": {"CT (℃)": "400"}, "tool": "search_value", "answer": {"Ref.": "[47]"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which reference (Ref.) documents a calcination temperature of {}℃?"}
{"question": "Which job identifier is associated with bulk formula Hg at chemical potential 2.2457254?", "refer_dataset": "table68", "column names": ["bulk_formula", "chem_pot", "jid"], "condition_column": ["bulk_formula", "chem_pot"], "answer_column": ["jid"], "condition": {"bulk_formula": "Hg", "chem_pot": "2.2457254"}, "tool": "search_value", "answer": {"jid": "JVASP-25273"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which job identifier is associated with bulk formula {} at chemical potential {}?"}
{"question": "What is the standard deviation of volume (volume_std_0) for the molecule with SMILES C(CCN1CCOCCOCCOCCOCC1)CN1CCOCCOCCOCCOCC1?", "refer_dataset": "table41", "column names": ["osda smiles", "volume_std_0"], "condition_column": ["osda smiles"], "answer_column": ["volume_std_0"], "condition": {"osda smiles": "C(CCN1CCOCCOCCOCCOCC1)CN1CCOCCOCCOCCOCC1"}, "tool": "search_value", "answer": {"volume_std_0": "0.2906775397218767"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the standard deviation of volume (volume_std_0) for the molecule with SMILES {}?"}
{"question": "Given a conduction band minimum (CBM) of 4.2821, what is the total energy after optimization?", "refer_dataset": "table52", "column names": ["optb88vdw_cbm", "final_energy"], "condition_column": ["optb88vdw_cbm"], "answer_column": ["final_energy"], "condition": {"optb88vdw_cbm": "4.2821"}, "tool": "search_value", "answer": {"final_energy": "-94.22629209"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a conduction band minimum (CBM) of {}, what is the total energy after optimization?"}
{"question": "What is the secondary element in the B site of the material composition Ba1Sr7V8O24?", "refer_dataset": "table35", "column names": ["Material Composition", "B site #2"], "condition_column": ["Material Composition"], "answer_column": ["B site #2"], "condition": {"Material Composition": "Ba1Sr7V8O24"}, "tool": "search_value", "answer": {"B site #2": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary element in the B site of the material composition {}?"}
{"question": "How much is the molar mass (M) of the compound named Sr0.8Bi0.2Ti0.8Fe0.2O3?", "refer_dataset": "table3", "column names": ["Materials", "M"], "condition_column": ["Materials"], "answer_column": ["M"], "condition": {"Materials": "Sr0.8Bi0.2Ti0.8Fe0.2O3"}, "tool": "search_value", "answer": {"M": "209.37"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How much is the molar mass (M) of the compound named {}?"}
{"question": "What is the specific magnetic moment (Am²/kg) for the document with doi 10.1016/j.jallcom.2009.03.189?", "refer_dataset": "table32", "column names": ["doi", "Am^2/kg"], "condition_column": ["doi"], "answer_column": ["Am^2/kg"], "condition": {"doi": "10.1016/j.jallcom.2009.03.189"}, "tool": "search_value", "answer": {"Am^2/kg": "15.24"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the specific magnetic moment (Am²/kg) for the document with doi {}?"}
{"question": "Determine the thermodynamic stability for materials with a band gap energy of 2.618.", "refer_dataset": "table57", "column names": ["_oqmd_band_gap", "_oqmd_stability"], "condition_column": ["_oqmd_band_gap"], "answer_column": ["_oqmd_stability"], "condition": {"_oqmd_band_gap": "2.618"}, "tool": "search_value", "answer": {"_oqmd_stability": "0.001460975"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the thermodynamic stability for materials with a band gap energy of {}."}
{"question": "How many hours of aging (AH) are recorded for the perovskite oxide composition LaMg0.4Cr0.6O3?", "refer_dataset": "table11", "column names": ["Molecular formulas", "AH (h)"], "condition_column": ["Molecular formulas"], "answer_column": ["AH (h)"], "condition": {"Molecular formulas": "LaMg0.4Cr0.6O3"}, "tool": "search_value", "answer": {"AH (h)": "5"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many hours of aging (AH) are recorded for the perovskite oxide composition {}?"}
{"question": "Determine the total calculated energy of the structure in the source folder '/rk2/knc6/UniveralTB/julia_data/Li_kspace/POSCAR_As_221_vnscf_vol_1'?", "refer_dataset": "table59", "column names": ["source_folder", "final_energy"], "condition_column": ["source_folder"], "answer_column": ["final_energy"], "condition": {"source_folder": "'/rk2/knc6/UniveralTB/julia_data/Li_kspace/POSCAR_As_221_vnscf_vol_1'"}, "tool": "search_value", "answer": {"final_energy": "-14.36015134908384"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the total calculated energy of the structure in the source folder {}?"}
{"question": "Which compound with elements ['Ac', 'Tl', 'Bi'] and direct band gap of 0.0001 eV has the lowest total magnetization?", "refer_dataset": "table44", "column names": ["elements", "band_gap_dir", "total_mag"], "condition_column": ["elements", "band_gap_dir"], "answer_column": ["total_mag"], "condition": {"elements": "['Ac', 'Tl', 'Bi']", "band_gap_dir": "0.0001"}, "tool": "search_value", "answer": {"total_mag": "4.21e-05"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which compound with elements {} and direct band gap of {} eV has the lowest total magnetization?"}
{"question": "Which elastic tensor is recorded for the material with job ID JVASP-76309?", "refer_dataset": "table48", "column names": ["jid", "elastic_tensor"], "condition_column": ["jid"], "answer_column": ["elastic_tensor"], "condition": {"jid": "JVASP-76309"}, "tool": "search_value", "answer": {"elastic_tensor": "na"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which elastic tensor is recorded for the material with job ID {}?"}
{"question": "Determine the formula corresponding to the material with ID 1223.", "refer_dataset": "table64", "column names": ["id", "formula"], "condition_column": ["id"], "answer_column": ["formula"], "condition": {"id": "1223"}, "tool": "search_value", "answer": {"formula": "I2Sr"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the formula corresponding to the material with ID {}."}
{"question": "Identify the formula associated with a superconducting transition temperature of 4.03.", "refer_dataset": "table65", "column names": ["Tc", "formula"], "condition_column": ["Tc"], "answer_column": ["formula"], "condition": {"Tc": "4.03"}, "tool": "search_value", "answer": {"formula": "Nb0.2V0.8"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the formula associated with a superconducting transition temperature of {}."}
{"question": "What is the unique identifier for the material composed of Ni2.5Cu1.5Zr8 and exhibiting a Tc of 1.09?", "refer_dataset": "table65", "column names": ["formula", "Tc", "id"], "condition_column": ["formula", "Tc"], "answer_column": ["id"], "condition": {"formula": "Ni2.5Cu1.5Zr8", "Tc": "1.09"}, "tool": "search_value", "answer": {"id": "6607"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unique identifier for the material composed of {} and exhibiting a Tc of {}?"}
{"question": "What is the magnetic moment (from OSZICAR) for the material with space group number 85?", "refer_dataset": "table48", "column names": ["spg_number", "magmom_oszicar"], "condition_column": ["spg_number"], "answer_column": ["magmom_oszicar"], "condition": {"spg_number": "85"}, "tool": "search_value", "answer": {"magmom_oszicar": "0.002"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the magnetic moment (from OSZICAR) for the material with space group number {}?"}
{"question": "How many hours of aging (AH) are recorded for the perovskite oxide composition LaCo0.90Mg0.10O3?", "refer_dataset": "table11", "column names": ["Molecular formulas", "AH (h)"], "condition_column": ["Molecular formulas"], "answer_column": ["AH (h)"], "condition": {"Molecular formulas": "LaCo0.90Mg0.10O3"}, "tool": "search_value", "answer": {"AH (h)": "4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many hours of aging (AH) are recorded for the perovskite oxide composition {}?"}
{"question": "What is the bulk modulus (Voigt average) for materials containing -Cr-Ni when using the FeNiCr_Bonny_2013_ptDef.eam.alloy potential?", "refer_dataset": "table53", "column names": ["search", "func", "kv"], "condition_column": ["search", "func"], "answer_column": ["kv"], "condition": {"search": "-Cr-Ni", "func": "FeNiCr_Bonny_2013_ptDef.eam.alloy"}, "tool": "search_value", "answer": {"kv": "78.66066666666666"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk modulus (Voigt average) for materials containing {} when using the {} potential?"}
{"question": "Which database entry corresponds to a material with a band gap of 0.595000000000001?", "refer_dataset": "table57", "column names": ["_oqmd_band_gap", "_oqmd_entry_id"], "condition_column": ["_oqmd_band_gap"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_band_gap": "0.595000000000001"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "326419.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which database entry corresponds to a material with a band gap of {}?"}
{"question": "What is the bulk modulus of the material designated by ID mp-10?", "refer_dataset": "table56", "column names": ["id", "bulk modulus"], "condition_column": ["id"], "answer_column": ["bulk modulus"], "condition": {"id": "mp-10"}, "tool": "search_value", "answer": {"bulk modulus": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk modulus of the material designated by ID {}?"}
{"question": "Determine the tertiary metal (M3) composition for a catalyst with M1 set to Li, support material Si, and partial pressure of methane (Pch4) of 0.91.", "refer_dataset": "table28", "column names": ["M1", "Support", "Pch4", "M3"], "condition_column": ["M1", "Support", "Pch4"], "answer_column": ["M3"], "condition": {"M1": "Li", "Support": "Si", "Pch4": "0.91"}, "tool": "search_value", "answer": {"M3": "none"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the tertiary metal (M3) composition for a catalyst with M1 set to {}, support material {}, and partial pressure of methane (Pch4) of {}."}
{"question": "What is the Catalyst loading (g/l) for a photocatalyst with an SBET of 22.28 m²/g?", "refer_dataset": "table10", "column names": ["SBET (m2 /g)", "loading (g/l)"], "condition_column": ["SBET (m2 /g)"], "answer_column": ["loading (g/l)"], "condition": {"SBET (m2 /g)": "22.28"}, "tool": "search_value", "answer": {"loading (g/l)": "1.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Catalyst loading (g/l) for a photocatalyst with an SBET of {} m²/g?"}
{"question": "Determine the conduction band minimum (CBM) for a system with a final energy of -129.68437497 and a valence band maximum (VBM) of 4.3247.", "refer_dataset": "table52", "column names": ["final_energy", "optb88vdw_vbm", "optb88vdw_cbm"], "condition_column": ["final_energy", "optb88vdw_vbm"], "answer_column": ["optb88vdw_cbm"], "condition": {"final_energy": "-129.68437497", "optb88vdw_vbm": "4.3247"}, "tool": "search_value", "answer": {"optb88vdw_cbm": "4.6017"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the conduction band minimum (CBM) for a system with a final energy of {} and a valence band maximum (VBM) of {}."}
{"question": "What comments or metadata accompany the paper The evolution of the Earth-Moon system based on the dark matter field\n  fluid model?", "refer_dataset": "table45", "column names": ["title", "comments"], "condition_column": ["title"], "answer_column": ["comments"], "condition": {"title": "The evolution of the Earth-Moon system based on the dark matter field\n  fluid model"}, "tool": "search_value", "answer": {"comments": "23 pages, 3 figures"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What comments or metadata accompany the paper {}?"}
{"question": "For perovskites where the primary A site is Ni, what is the duration of each testing cycle in hours?", "refer_dataset": "table5", "column names": ["A site", "Duration of cycles (h)"], "condition_column": ["A site"], "answer_column": ["Duration of cycles (h)"], "condition": {"A site": "Ni"}, "tool": "search_value", "answer": {"Duration of cycles (h)": "9.6"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For perovskites where the primary A site is {}, what is the duration of each testing cycle in hours?"}
{"question": "Which secondary metal (M2) is combined with primary metal Li, support material Ti, and under an oxygen partial pressure (Po2) of 0.08?", "refer_dataset": "table28", "column names": ["M1", "Support", "Po2", "M2"], "condition_column": ["M1", "Support", "Po2"], "answer_column": ["M2"], "condition": {"M1": "Li", "Support": "Ti", "Po2": "0.08"}, "tool": "search_value", "answer": {"M2": "Ni"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which secondary metal (M2) is combined with primary metal {}, support material {}, and under an oxygen partial pressure (Po2) of {}?"}
{"question": "Find the surface valence band maximum (surf_vbm) for the material Fe.", "refer_dataset": "table66", "column names": ["formula", "surf_vbm"], "condition_column": ["formula"], "answer_column": ["surf_vbm"], "condition": {"formula": "Fe"}, "tool": "search_value", "answer": {"surf_vbm": "2.3091"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the surface valence band maximum (surf_vbm) for the material {}."}
{"question": "What is the unique entry ID for the material with bulk energy -73.24776 and formation energy 1.72696?", "refer_dataset": "table68", "column names": ["bulk_energy", "ef", "id"], "condition_column": ["bulk_energy", "ef"], "answer_column": ["id"], "condition": {"bulk_energy": "-73.24776", "ef": "1.72696"}, "tool": "search_value", "answer": {"id": "JVASP-14812_Sm_a"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unique entry ID for the material with bulk energy {} and formation energy {}?"}
{"question": "Determine the unique material ID for the compound with source identifier mp-554340 and a total energy per atom of -5.294281023333333.", "refer_dataset": "table67", "column names": ["source_id", "energy_per_atom", "material_id"], "condition_column": ["source_id", "energy_per_atom"], "answer_column": ["material_id"], "condition": {"source_id": "mp-554340", "energy_per_atom": "-5.294281023333333"}, "tool": "search_value", "answer": {"material_id": "2dm-4"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the unique material ID for the compound with source identifier {} and a total energy per atom of {}."}
{"question": "Find the bandgap value for the material with a material ID of 2dm-4 and exfoliation energy per atom of -0.055817563333333986.", "refer_dataset": "table67", "column names": ["material_id", "exfoliation_energy_per_atom", "bandgap"], "condition_column": ["material_id", "exfoliation_energy_per_atom"], "answer_column": ["bandgap"], "condition": {"material_id": "2dm-4", "exfoliation_energy_per_atom": "-0.055817563333333986"}, "tool": "search_value", "answer": {"bandgap": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the bandgap value for the material with a material ID of {} and exfoliation energy per atom of {}."}
{"question": "What country hosts the CAS Ctr Excellence Nanosci research institution?", "refer_dataset": "table13", "column names": ["Facility", "Country"], "condition_column": ["Facility"], "answer_column": ["Country"], "condition": {"Facility": "CAS Ctr Excellence Nanosci"}, "tool": "search_value", "answer": {"Country": "Peoples R China"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What country hosts the {} research institution?"}
{"question": "Given a mean gyration radius (gyration_radius_mean_0) of 5.207751560540783, what is the corresponding SMILES?", "refer_dataset": "table41", "column names": ["gyration_radius_mean_0", "osda smiles"], "condition_column": ["gyration_radius_mean_0"], "answer_column": ["osda smiles"], "condition": {"gyration_radius_mean_0": "5.207751560540783"}, "tool": "search_value", "answer": {"osda smiles": "C(CCC[N+]12CCN(CC1)CC2)CC[N+]12CCN(CC1)CC2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a mean gyration radius (gyration_radius_mean_0) of {}, what is the corresponding SMILES?"}
{"question": "Identify the formula associated with a superconducting transition temperature of 3.68.", "refer_dataset": "table65", "column names": ["Tc", "formula"], "condition_column": ["Tc"], "answer_column": ["formula"], "condition": {"Tc": "3.68"}, "tool": "search_value", "answer": {"formula": "La2.55Pr0.45Tl1"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the formula associated with a superconducting transition temperature of {}."}
{"question": "Find the LUMO energy level (eV) of the compound with HOMO energy level -0.228 eV and species HCONH2CN2H4.", "refer_dataset": "table46", "column names": ["homo", "species", "lumo"], "condition_column": ["homo", "species"], "answer_column": ["lumo"], "condition": {"homo": "-0.228", "species": "HCONH2CN2H4"}, "tool": "search_value", "answer": {"lumo": "0.03553"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the LUMO energy level (eV) of the compound with HOMO energy level {} eV and species {}."}
{"question": "What surface area (m²/g) corresponds to primary element A Sr and substitution element A1 K?", "refer_dataset": "table4", "column names": ["A", "A1", "Surface Area(m2/g)"], "condition_column": ["A", "A1"], "answer_column": ["Surface Area(m2/g)"], "condition": {"A": "Sr", "A1": "K"}, "tool": "search_value", "answer": {"Surface Area(m2/g)": "11.6"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What surface area (m²/g) corresponds to primary element A {} and substitution element A1 {}?"}
{"question": "Which bulk formula corresponds to job identifier JVASP-25213 after achieving chemical potential 1.92220345?", "refer_dataset": "table68", "column names": ["jid", "chem_pot", "bulk_formula"], "condition_column": ["jid", "chem_pot"], "answer_column": ["bulk_formula"], "condition": {"jid": "JVASP-25213", "chem_pot": "1.92220345"}, "tool": "search_value", "answer": {"bulk_formula": "Kr"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which bulk formula corresponds to job identifier {} after achieving chemical potential {}?"}
{"question": "Is phonon data available for the material HfSiO4?", "refer_dataset": "table53", "column names": ["formula", "phon_dat"], "condition_column": ["formula"], "answer_column": ["phon_dat"], "condition": {"formula": "HfSiO4"}, "tool": "search_value", "answer": {"phon_dat": "na"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Is phonon data available for the material {}?"}
{"question": "What is the band gap of the material composed of elements ['Ti', 'Be']?", "refer_dataset": "table55", "column names": ["elements", "band_gap"], "condition_column": ["elements"], "answer_column": ["band_gap"], "condition": {"elements": "['Ti', 'Be']"}, "tool": "search_value", "answer": {"band_gap": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band gap of the material composed of elements {}?"}
{"question": "Find the HSE band gap energy (hse_gap) of the material classified as 3.6275 processed using the NH-C6H4-NH-O method.", "refer_dataset": "table58", "column names": ["hse_gap", "label", "method"], "condition_column": ["hse_gap", "label"], "answer_column": ["method"], "condition": {"hse_gap": "3.6275", "label": "NH-C6H4-NH-O"}, "tool": "search_value", "answer": {"method": "minima-hopping"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the HSE band gap energy (hse_gap) of the material classified as {} processed using the {} method."}
{"question": "Determine catalyst weight (g/L) for materials with bandgap 3.2 eV and surface area 1.9 m²/g.", "refer_dataset": "table4", "column names": ["BandGap(eV)", "Surface Area(m2/g)", "CatW(g/L)"], "condition_column": ["BandGap(eV)", "Surface Area(m2/g)"], "answer_column": ["CatW(g/L)"], "condition": {"BandGap(eV)": "3.2", "Surface Area(m2/g)": "1.9"}, "tool": "search_value", "answer": {"CatW(g/L)": "1.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine catalyst weight (g/L) for materials with bandgap {} eV and surface area {} m²/g."}
{"question": "Given PBE and HSE bandgaps of 0.88 eV and 2.57 eV, what is the refractive index (Ref_ind) of the material?", "refer_dataset": "table49", "column names": ["PBE_gap", "HSE_gap", "Ref_ind"], "condition_column": ["PBE_gap", "HSE_gap"], "answer_column": ["Ref_ind"], "condition": {"PBE_gap": "0.88", "HSE_gap": "2.57"}, "tool": "search_value", "answer": {"Ref_ind": "2.52"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given PBE and HSE bandgaps of {} eV and {} eV, what is the refractive index (Ref_ind) of the material?"}
{"question": "What is the melting temperature of component B (B_Tm) when element B’s density (ρb) is 7.62, boiling temperature (B_Tb) is 2892.95, and electron affinity (EAb) is 15.09?", "refer_dataset": "table2", "column names": ["ρb", "B_Tb", "EAb", "B_Tm"], "condition_column": ["ρb", "B_Tb", "EAb"], "answer_column": ["B_Tm"], "condition": {"ρb": "7.62", "B_Tb": "2892.95", "EAb": "15.09"}, "tool": "search_value", "answer": {"B_Tm": "1547.9"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the melting temperature of component B (B_Tm) when element B’s density (ρb) is {}, boiling temperature (B_Tb) is {}, and electron affinity (EAb) is {}?"}
{"question": "What is the total ab initio energy per atom for the material with Bader net charges of [0.0411, 0.0411, 0.7041, -0.3933, -0.393]?", "refer_dataset": "table43", "column names": ["bader_net_charges", "energy_atom"], "condition_column": ["bader_net_charges"], "answer_column": ["energy_atom"], "condition": {"bader_net_charges": "[0.0411, 0.0411, 0.7041, -0.3933, -0.393]"}, "tool": "search_value", "answer": {"energy_atom": "-6.48989"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total ab initio energy per atom for the material with Bader net charges of {}?"}
{"question": "What is the boiling temperature of element B (B_Tb) in materials where melting point of A (A_Tm) = 896.85 K and B (B_Tm) = 1538.0 K?", "refer_dataset": "table3", "column names": ["A_Tm", "B_Tm", "B_Tb"], "condition_column": ["A_Tm", "B_Tm"], "answer_column": ["B_Tb"], "condition": {"A_Tm": "896.85", "B_Tm": "1538.0"}, "tool": "search_value", "answer": {"B_Tb": "2861.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the boiling temperature of element B (B_Tb) in materials where melting point of A (A_Tm) = {} K and B (B_Tm) = {} K?"}
{"question": "What is the electron affinity of element A (EAa) when composition CaTiO3 has a bandgap (Eg) of 3.6 eV and density of A (ρa) is 1.54?", "refer_dataset": "table2", "column names": ["Materials", "Eg(eV)", "ρa", "EAa"], "condition_column": ["Materials", "Eg(eV)", "ρa"], "answer_column": ["EAa"], "condition": {"Materials": "CaTiO3", "Eg(eV)": "3.6", "ρa": "1.54"}, "tool": "search_value", "answer": {"EAa": "1.8"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electron affinity of element A (EAa) when composition {} has a bandgap (Eg) of {} eV and density of A (ρa) is {}?"}
{"question": "For an MOF with CO₂ absolute adsorption of [0.00047801100000000003, 0.00274857, 0.0083652, 0.0297562, 0.156071] and surface area 36.5 m²/g, what is its ID if the pressure is [0.01, 0.05, 0.1, 0.5, 2.5] bar?", "refer_dataset": "table50", "column names": ["co2_absp", "surface_area_m2g", "co2_pressures", "id"], "condition_column": ["co2_absp", "surface_area_m2g", "co2_pressures"], "answer_column": ["id"], "condition": {"co2_absp": "[0.00047801100000000003, 0.00274857, 0.0083652, 0.0297562, 0.156071]", "surface_area_m2g": "36.5", "co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "tool": "search_value", "answer": {"id": "hMOF-5039785"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For an MOF with CO₂ absolute adsorption of {} and surface area {} m²/g, what is its ID if the pressure is {} bar?"}
{"question": "For the material identified by 218 with formula_energy -0.0656403766667, what is the associated chemical formula?", "refer_dataset": "table64", "column names": ["id", "formula_energy", "formula"], "condition_column": ["id", "formula_energy"], "answer_column": ["formula"], "condition": {"id": "218", "formula_energy": "-0.0656403766667"}, "tool": "search_value", "answer": {"formula": "BeH2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material identified by {} with formula_energy {}, what is the associated chemical formula?"}
{"question": "Which catalyst composition corresponds to reaction conditions {'Reaction': 'CO2methanation', 'Temperature': '250oC', 'Pressure': '1atm', 'FlowGasComposition': '7,4%CO2,29,8%H2,62,8%Ar', 'GasFlowrate': 'nodata', 'GHSV': 'nodata', 'Catalystmass': '300mg', 'TOF': '140,4h-1', 'Conversion': '67%', 'Selectivity': '97%', 'Yield': '65%', 'Article': 'MethanationofCO2onNi/γ-Al2O3:InfluenceofPt,PdorRhpromotion', 'Id': ''}?", "refer_dataset": "table30", "column names": ["Reaction", "Catalyst"], "condition_column": ["Reaction"], "answer_column": ["Catalyst"], "condition": {"Reaction": "{'Reaction': 'CO2methanation', 'Temperature': '250oC', 'Pressure': '1atm', 'FlowGasComposition': '7,4%CO2,29,8%H2,62,8%Ar', 'GasFlowrate': 'nodata', 'GHSV': 'nodata', 'Catalystmass': '300mg', 'TOF': '140,4h-1', 'Conversion': '67%', 'Selectivity': '97%', 'Yield': '65%', 'Article': 'MethanationofCO2onNi/γ-Al2O3:InfluenceofPt,PdorRhpromotion', 'Id': ''}"}, "tool": "search_value", "answer": {"Catalyst": "10,5%NiPt/Al2O3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which catalyst composition corresponds to reaction conditions {}?"}
{"question": "Is the catalyst N-doped carbon fibers doped with any elements? (0=no, 1=yes)", "refer_dataset": "table12", "column names": ["Catalyst label", "Doping"], "condition_column": ["Catalyst label"], "answer_column": ["Doping"], "condition": {"Catalyst label": "N-doped carbon fibers"}, "tool": "search_value", "answer": {"Doping": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Is the catalyst {} doped with any elements? (0=no, 1=yes)"}
{"question": "Report the enthalpy of fusion (ΔfusHa) for materials with EAa = 14.0 eV, ρb = 4.57 g/cm³, and Ra/Rb = 2.014.", "refer_dataset": "table3", "column names": ["EAa", "ρb", "Ra/Rb", "ΔfusHa"], "condition_column": ["EAa", "ρb", "Ra/Rb"], "answer_column": ["ΔfusHa"], "condition": {"EAa": "14.0", "ρb": "4.57", "Ra/Rb": "2.014"}, "tool": "search_value", "answer": {"ΔfusHa": "51.8"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the enthalpy of fusion (ΔfusHa) for materials with EAa = {} eV, ρb = {} g/cm³, and Ra/Rb = {}."}
{"question": "List the elements present in the material with formula Ac stored at extra/batch-3000/Ac/Ac/xxx_02a-00_agm004260580_spg229?", "refer_dataset": "table44", "column names": ["formula", "location", "elements"], "condition_column": ["formula", "location"], "answer_column": ["elements"], "condition": {"formula": "Ac", "location": "extra/batch-3000/Ac/Ac/xxx_02a-00_agm004260580_spg229"}, "tool": "search_value", "answer": {"elements": "['Ac']"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "List the elements present in the material with formula {} stored at {}?"}
{"question": "What is the data source type (Type) associated with a catalyst comprising primary metal Yb, support material Sr, and achieving a conversion yield of 33.6%?", "refer_dataset": "table28", "column names": ["M1", "Support", "C2y", "Type"], "condition_column": ["M1", "Support", "C2y"], "answer_column": ["Type"], "condition": {"M1": "Yb", "Support": "Sr", "C2y": "33.6"}, "tool": "search_value", "answer": {"Type": "Literature"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the data source type (Type) associated with a catalyst comprising primary metal {}, support material {}, and achieving a conversion yield of {}%?"}
{"question": "What is the HSE-derived band gap value for the material with ICSD_number 28745?", "refer_dataset": "table63", "column names": ["ICSD_number", "Band_gap_HSE"], "condition_column": ["ICSD_number"], "answer_column": ["Band_gap_HSE"], "condition": {"ICSD_number": "28745"}, "tool": "search_value", "answer": {"Band_gap_HSE": "2.166236"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HSE-derived band gap value for the material with ICSD_number {}?"}
{"question": "For the compound with final energy -28.73269271488434 and chemical formula Li, what is its space group classification number?", "refer_dataset": "table59", "column names": ["final_energy", "formula", "spacegroup_number"], "condition_column": ["final_energy", "formula"], "answer_column": ["spacegroup_number"], "condition": {"final_energy": "-28.73269271488434", "formula": "Li"}, "tool": "search_value", "answer": {"spacegroup_number": "69"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the compound with final energy {} and chemical formula {}, what is its space group classification number?"}
{"question": "What job ID investigates shear modulus (Voigt) values for the element -Cu-H?", "refer_dataset": "table53", "column names": ["search", "jid"], "condition_column": ["search"], "answer_column": ["jid"], "condition": {"search": "-Cu-H"}, "tool": "search_value", "answer": {"jid": "JLMP-353"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What job ID investigates shear modulus (Voigt) values for the element {}?"}
{"question": "Determine the lattice parameter (Å) when the unit cell volume is 70.4207718211, element E has an atomic number of 8, and Dn is 0?", "refer_dataset": "table22", "column names": ["Volume", "E_AtomN", "Dn", "Lattice"], "condition_column": ["Volume", "E_AtomN", "Dn"], "answer_column": ["Lattice"], "condition": {"Volume": "70.4207718211", "E_AtomN": "8", "Dn": "0"}, "tool": "search_value", "answer": {"Lattice": "4.1295265268"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the lattice parameter (Å) when the unit cell volume is {}, element E has an atomic number of {}, and Dn is {}?"}
{"question": "What Metal 3 component (M3) is used at 20.0 mL/min total flow, 850.0℃, and 34.0% methane conversion?", "refer_dataset": "table23", "column names": ["Total flow (mL/min)", "Temp. (℃)", "CH4 conversion (%)", "M3"], "condition_column": ["Total flow (mL/min)", "Temp. (℃)", "CH4 conversion (%)"], "answer_column": ["M3"], "condition": {"Total flow (mL/min)": "20.0", "Temp. (℃)": "850.0", "CH4 conversion (%)": "34.0"}, "tool": "search_value", "answer": {"M3": "none"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What Metal 3 component (M3) is used at {} mL/min total flow, {}℃, and {}% methane conversion?"}
{"question": "What PBE mixing energy is associated with the perovskite material Perov-2?", "refer_dataset": "table49", "column names": ["id", "PBE_mix_energy"], "condition_column": ["id"], "answer_column": ["PBE_mix_energy"], "condition": {"id": "Perov-2"}, "tool": "search_value", "answer": {"PBE_mix_energy": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What PBE mixing energy is associated with the perovskite material {}?"}
{"question": "What reference (Ref) corresponds to a photocatalyst with molecular formula [1], calcination time of BaTi0.97Mo0.03O3 h, and Eg of 5.0 eV?", "refer_dataset": "table1", "column names": ["Ref", "Molecular formula", "Calcination time(h)", "Eg(eV)"], "condition_column": ["Ref", "Molecular formula", "Calcination time(h)"], "answer_column": ["Eg(eV)"], "condition": {"Ref": "[1]", "Molecular formula": "BaTi0.97Mo0.03O3", "Calcination time(h)": "5.0"}, "tool": "search_value", "answer": {"Eg(eV)": "2.6"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reference (Ref) corresponds to a photocatalyst with molecular formula {}, calcination time of {} h, and Eg of {} eV?"}
{"question": "Find the surface valence band maximum (surf_vbm) for the material B.", "refer_dataset": "table66", "column names": ["formula", "surf_vbm"], "condition_column": ["formula"], "answer_column": ["surf_vbm"], "condition": {"formula": "B"}, "tool": "search_value", "answer": {"surf_vbm": "1.2778"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the surface valence band maximum (surf_vbm) for the material {}."}
{"question": "Convert the Extracted Value −16.4 with Units K to Normalised Units.", "refer_dataset": "table33", "column names": ["Extracted Value", "Extracted Units", "Normalised Value"], "condition_column": ["Extracted Value", "Extracted Units"], "answer_column": ["Normalised Value"], "condition": {"Extracted Value": "−16.4", "Extracted Units": "K"}, "tool": "search_value", "answer": {"Normalised Value": "−16.4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Convert the Extracted Value {} with Units {} to Normalised Units."}
{"question": "For surface structure Surface-JVASP-1750_miller_1_1_0_thickness_16_VASP_PBE_noDP, what is the SCF valence band maximum (scf_vbm) if composed of ErSbPd and exhibiting a surface valence band maximum of 1.8401?", "refer_dataset": "table66", "column names": ["name", "formula", "surf_vbm", "scf_vbm"], "condition_column": ["name", "formula", "surf_vbm"], "answer_column": ["scf_vbm"], "condition": {"name": "Surface-JVASP-1750_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "ErSbPd", "surf_vbm": "1.8401"}, "tool": "search_value", "answer": {"scf_vbm": "7.095"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For surface structure {}, what is the SCF valence band maximum (scf_vbm) if composed of {} and exhibiting a surface valence band maximum of {}?"}
{"question": "Report the bulk modulus for the material with formula CeAlO3:", "refer_dataset": "table56", "column names": ["formula", "bulk modulus"], "condition_column": ["formula"], "answer_column": ["bulk modulus"], "condition": {"formula": "CeAlO3"}, "tool": "search_value", "answer": {"bulk modulus": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the bulk modulus for the material with formula {}:"}
{"question": "Find the current density at 0.63 V (secondCA) for a material with In set to 0.3 and Fe set to 0.7.", "refer_dataset": "table16", "column names": ["In", "Fe", "J.uAcm2_0.63_secondCA"], "condition_column": ["In", "Fe"], "answer_column": ["J.uAcm2_0.63_secondCA"], "condition": {"In": "0.3", "Fe": "0.7"}, "tool": "search_value", "answer": {"J.uAcm2_0.63_secondCA": "483.8105"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the current density at 0.63 V (secondCA) for a material with In set to {} and Fe set to {}."}
{"question": "What is the largest cavity diameter of an MOF with minimum adsorption 0.0733042, void fraction 0.3975189999999999, and pressure [0.01, 0.05, 0.1, 0.5, 2.5] bar?", "refer_dataset": "table50", "column names": ["min_co2_adsp", "void_fraction", "co2_pressures", "lcd"], "condition_column": ["min_co2_adsp", "void_fraction", "co2_pressures"], "answer_column": ["lcd"], "condition": {"min_co2_adsp": "0.0733042", "void_fraction": "0.3975189999999999", "co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "tool": "search_value", "answer": {"lcd": "4.75"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the largest cavity diameter of an MOF with minimum adsorption {}, void fraction {}, and pressure {} bar?"}
{"question": "What direct/indirect classification does HSE give for materials with SNUMAT_id SM-3507 that have FM magnetic ordering?", "refer_dataset": "table63", "column names": ["SNUMAT_id", "Magnetic_ordering", "Direct_or_indirect_HSE"], "condition_column": ["SNUMAT_id", "Magnetic_ordering"], "answer_column": ["Direct_or_indirect_HSE"], "condition": {"SNUMAT_id": "SM-3507", "Magnetic_ordering": "FM"}, "tool": "search_value", "answer": {"Direct_or_indirect_HSE": "Indirect"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What direct/indirect classification does HSE give for materials with SNUMAT_id {} that have {} magnetic ordering?"}
{"question": "Retrieve the HOMO energy level for a material with LUMO energy of -1.4775782823562622.", "refer_dataset": "table60", "column names": ["lumo", "homo"], "condition_column": ["lumo"], "answer_column": ["homo"], "condition": {"lumo": "-1.4775782823562622"}, "tool": "search_value", "answer": {"homo": "-8.440972328186035"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the HOMO energy level for a material with LUMO energy of {}."}
{"question": "What is the electronic spatial extent (r2) for the material with identifier 0.0, HOMO energy -10.549854278564451, and LUMO energy 3.186453342437744?", "refer_dataset": "table60", "column names": ["id", "homo", "lumo", "r2"], "condition_column": ["id", "homo", "lumo"], "answer_column": ["r2"], "condition": {"id": "0.0", "homo": "-10.549854278564451", "lumo": "3.186453342437744"}, "tool": "search_value", "answer": {"r2": "35.36410140991211"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic spatial extent (r2) for the material with identifier {}, HOMO energy {}, and LUMO energy {}?"}
{"question": "Determine the heat capacity (Cv) for a material with HOMO energy -6.993326187133789, LUMO energy 2.255823850631714, and identifier 1.0.", "refer_dataset": "table60", "column names": ["homo", "lumo", "id", "Cv"], "condition_column": ["homo", "lumo", "id"], "answer_column": ["Cv"], "condition": {"homo": "-6.993326187133789", "lumo": "2.255823850631714", "id": "1.0"}, "tool": "search_value", "answer": {"Cv": "6.315999984741211"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the heat capacity (Cv) for a material with HOMO energy {}, LUMO energy {}, and identifier {}."}
{"question": "Provide the formula of the material with ID 14511 that has a Tc value of 55.0.", "refer_dataset": "table65", "column names": ["id", "Tc", "formula"], "condition_column": ["id", "Tc"], "answer_column": ["formula"], "condition": {"id": "14511", "Tc": "55.0"}, "tool": "search_value", "answer": {"formula": "Pb0.5Ca1Sr2Y0.5Cu2O6.97"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the formula of the material with ID {} that has a Tc value of {}."}
{"question": "Retrieve the HOMO energy level for a material with LUMO energy of 2.83270525932312.", "refer_dataset": "table60", "column names": ["lumo", "homo"], "condition_column": ["lumo"], "answer_column": ["homo"], "condition": {"lumo": "2.83270525932312"}, "tool": "search_value", "answer": {"homo": "-9.211053848266602"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the HOMO energy level for a material with LUMO energy of {}."}
{"question": "What Illumination time(min) is needed for 78.0% degradation of MB at pH 7.0?", "refer_dataset": "table8", "column names": ["Degradation rate(%)", "Pollutant", "pH", "Illumination time(min)"], "condition_column": ["Degradation rate(%)", "Pollutant", "pH"], "answer_column": ["Illumination time(min)"], "condition": {"Degradation rate(%)": "78.0", "Pollutant": "MB", "pH": "7.0"}, "tool": "search_value", "answer": {"Illumination time(min)": "20"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What Illumination time(min) is needed for {}% degradation of {} at pH {}?"}
{"question": "Which preparation method (PM) is associated with the perovskite oxide LaCrO3?", "refer_dataset": "table11", "column names": ["Molecular formulas", "PM"], "condition_column": ["Molecular formulas"], "answer_column": ["PM"], "condition": {"Molecular formulas": "LaCrO3"}, "tool": "search_value", "answer": {"PM": "3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which preparation method (PM) is associated with the perovskite oxide {}?"}
{"question": "For Job ID cc-2, what is the crystal structure lattice matrix data (atoms)?", "refer_dataset": "table46", "column names": ["jid", "atoms"], "condition_column": ["jid"], "answer_column": ["atoms"], "condition": {"jid": "cc-2"}, "tool": "search_value", "answer": {"atoms": "{'lattice_mat': [[15, 0, 0], [0, 15, 0], [0, 0, 15]], 'coords': [[1.044954, -0.481681, -0.133695], [1.814276, 0.115816, -0.094954], [-0.942795, -0.681226, -0.000112], [2.201619, -0.065321, 0.774038], [-1.241421, 0.494176, 0.013376], [-0.470544, 1.2848, 0.002384], [-2.299351, 0.820428, 0.037547]], 'elements': ['H', 'O', 'O', 'H', 'C', 'H', 'H'], 'abc': [15.0, 15.0, 15.0], 'angles': [90.0, 90.0, 90.0], 'cartesian': True, 'props': ['', '', '', '', '', '', '']}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For Job ID {}, what is the crystal structure lattice matrix data (atoms)?"}
{"question": "What is the tolerance factor (t) when element A has a radius (Ra) of 124.813, element B has a radius (Rb) of 67.0, and the electronegativity of A (χpa) is 1.017?", "refer_dataset": "table2", "column names": ["Ra", "Rb", "χpa", "t"], "condition_column": ["Ra", "Rb", "χpa"], "answer_column": ["t"], "condition": {"Ra": "124.813", "Rb": "67.0", "χpa": "1.017"}, "tool": "search_value", "answer": {"t": "0.905"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tolerance factor (t) when element A has a radius (Ra) of {}, element B has a radius (Rb) of {}, and the electronegativity of A (χpa) is {}?"}
{"question": "Retrieve the formula_energy for the chemical formula K2O3Si.", "refer_dataset": "table64", "column names": ["formula", "formula_energy"], "condition_column": ["formula"], "answer_column": ["formula_energy"], "condition": {"formula": "K2O3Si"}, "tool": "search_value", "answer": {"formula_energy": "-2.66534476833"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the formula_energy for the chemical formula {}."}
{"question": "Determine the surface energy (surf_en) for material BAs with surface identifier Surface-JVASP-7630_miller_1_1_0_thickness_16_VASP_PBE_noDP and initial atomic structure {'lattice_mat': [[6.81157377, 0.0, 0.0], [0.0, 4.81651, 0.0], [0.0, 0.0, 25.62314753]], 'coords': [[0.49999972, 0.375, 0.03322964], [0.0, 0.375, 0.16614799], [0.50000028, 0.375, 0.29906634], [5.5e-07, 0.375, 0.43198469], [0.24999959, 0.875, 0.09968881], [0.74999986, 0.875, 0.23260716], [0.25000014, 0.875, 0.36552552], [0.75000041, 0.875, 0.49844387], [0.74999986, 0.875, 0.09968881], [0.25000014, 0.875, 0.23260716], [0.75000041, 0.875, 0.36552552], [0.25000069, 0.875, 0.49844387], [0.99999945, 0.375, 0.03322964], [0.49999972, 0.375, 0.16614799], [0.0, 0.375, 0.29906634], [0.50000028, 0.375, 0.43198469], [0.74999931, 0.625, 0.03322964], [0.24999959, 0.625, 0.16614799], [0.74999986, 0.625, 0.29906634], [0.25000014, 0.625, 0.43198469], [0.49999972, 0.125, 0.09968881], [0.0, 0.125, 0.23260716], [0.50000028, 0.125, 0.36552552], [5.5e-07, 0.125, 0.49844387], [0.99999945, 0.125, 0.09968881], [0.49999972, 0.125, 0.23260716], [0.0, 0.125, 0.36552552], [0.50000028, 0.125, 0.49844387], [0.24999959, 0.625, 0.03322964], [0.74999986, 0.625, 0.16614799], [0.25000014, 0.625, 0.29906634], [0.75000041, 0.625, 0.43198469]], 'elements': ['B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As'], 'abc': [6.81157, 4.81651, 25.62315], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}.", "refer_dataset": "table66", "column names": ["formula", "name", "initial_atoms", "surf_en"], "condition_column": ["formula", "name", "initial_atoms"], "answer_column": ["surf_en"], "condition": {"formula": "BAs", "name": "Surface-JVASP-7630_miller_1_1_0_thickness_16_VASP_PBE_noDP", "initial_atoms": "{'lattice_mat': [[6.81157377, 0.0, 0.0], [0.0, 4.81651, 0.0], [0.0, 0.0, 25.62314753]], 'coords': [[0.49999972, 0.375, 0.03322964], [0.0, 0.375, 0.16614799], [0.50000028, 0.375, 0.29906634], [5.5e-07, 0.375, 0.43198469], [0.24999959, 0.875, 0.09968881], [0.74999986, 0.875, 0.23260716], [0.25000014, 0.875, 0.36552552], [0.75000041, 0.875, 0.49844387], [0.74999986, 0.875, 0.09968881], [0.25000014, 0.875, 0.23260716], [0.75000041, 0.875, 0.36552552], [0.25000069, 0.875, 0.49844387], [0.99999945, 0.375, 0.03322964], [0.49999972, 0.375, 0.16614799], [0.0, 0.375, 0.29906634], [0.50000028, 0.375, 0.43198469], [0.74999931, 0.625, 0.03322964], [0.24999959, 0.625, 0.16614799], [0.74999986, 0.625, 0.29906634], [0.25000014, 0.625, 0.43198469], [0.49999972, 0.125, 0.09968881], [0.0, 0.125, 0.23260716], [0.50000028, 0.125, 0.36552552], [5.5e-07, 0.125, 0.49844387], [0.99999945, 0.125, 0.09968881], [0.49999972, 0.125, 0.23260716], [0.0, 0.125, 0.36552552], [0.50000028, 0.125, 0.49844387], [0.24999959, 0.625, 0.03322964], [0.74999986, 0.625, 0.16614799], [0.25000014, 0.625, 0.29906634], [0.75000041, 0.625, 0.43198469]], 'elements': ['B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As'], 'abc': [6.81157, 4.81651, 25.62315], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}"}, "tool": "search_value", "answer": {"surf_en": "2.609195830379709"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the surface energy (surf_en) for material {} with surface identifier {} and initial atomic structure {}."}
{"question": "Which reference ID documents the elastic tensor properties of material TiCu3O4 in space group P2_1/c?", "refer_dataset": "table53", "column names": ["formula", "spg", "ref"], "condition_column": ["formula", "spg"], "answer_column": ["ref"], "condition": {"formula": "TiCu3O4", "spg": "P2_1/c"}, "tool": "search_value", "answer": {"ref": "mp-758229"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which reference ID documents the elastic tensor properties of material {} in space group {}?"}
{"question": "Which secondary cation occupies the A2 site in the perovskite material Ca2Sb2O7?", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "A2 site"], "condition_column": ["Full Name of Perovskite"], "answer_column": ["A2 site"], "condition": {"Full Name of Perovskite": "Ca2Sb2O7"}, "tool": "search_value", "answer": {"A2 site": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which secondary cation occupies the A2 site in the perovskite material {}?"}
{"question": "What is the performance in cycle4 for materials with a secondary B site cation of Cu?", "refer_dataset": "table5", "column names": ["B2 site", "cycle4"], "condition_column": ["B2 site"], "answer_column": ["cycle4"], "condition": {"B2 site": "Cu"}, "tool": "search_value", "answer": {"cycle4": "485.8"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the performance in cycle4 for materials with a secondary B site cation of {}?"}
{"question": "Determine the ethane production yield when the H2O(g) collected is none and the CH4/O2 ratio is 0,65.", "refer_dataset": "table27", "column names": ["C2H6 yield(%)", "H2O(g)", "CH4/O2 ratio"], "condition_column": ["C2H6 yield(%)", "H2O(g)"], "answer_column": ["CH4/O2 ratio"], "condition": {"C2H6 yield(%)": "none", "H2O(g)": "0,65"}, "tool": "search_value", "answer": {"CH4/O2 ratio": "3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the ethane production yield when the H2O(g) collected is {} and the CH4/O2 ratio is {}."}
{"question": "How many ligands are bonded to the lanthanide in the compound [Pc2Dy]TBA:[Pc2Y]TBA = 1/50?", "refer_dataset": "table34", "column names": ["compound", "coordination_number"], "condition_column": ["compound"], "answer_column": ["coordination_number"], "condition": {"compound": "[Pc2Dy]TBA:[Pc2Y]TBA = 1/50"}, "tool": "search_value", "answer": {"coordination_number": "8.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many ligands are bonded to the lanthanide in the compound {}?"}
{"question": "What is the total magnetization of the material with a bandgap of 0.2086000000000005?", "refer_dataset": "table67", "column names": ["bandgap", "total_magnetization"], "condition_column": ["bandgap"], "answer_column": ["total_magnetization"], "condition": {"bandgap": "0.2086000000000005"}, "tool": "search_value", "answer": {"total_magnetization": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total magnetization of the material with a bandgap of {}?"}
{"question": "Find the bandgap value for the material with a material ID of 2dm-10 and exfoliation energy per atom of 0.12851741000000017.", "refer_dataset": "table67", "column names": ["material_id", "exfoliation_energy_per_atom", "bandgap"], "condition_column": ["material_id", "exfoliation_energy_per_atom"], "answer_column": ["bandgap"], "condition": {"material_id": "2dm-10", "exfoliation_energy_per_atom": "0.12851741000000017"}, "tool": "search_value", "answer": {"bandgap": "0.2086000000000005"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the bandgap value for the material with a material ID of {} and exfoliation energy per atom of {}."}
{"question": "What is the power (W) for the dataset labeled as reference [S30]?", "refer_dataset": "table4", "column names": ["Ref", "Power(W)"], "condition_column": ["Ref"], "answer_column": ["Power(W)"], "condition": {"Ref": "[S30]"}, "tool": "search_value", "answer": {"Power(W)": "125.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the power (W) for the dataset labeled as reference {}?"}
{"question": "What is the uncertainty of unit cell volume (sigvol) associated with the entry 1000031?", "refer_dataset": "table38", "column names": ["file", "sigvol"], "condition_column": ["file"], "answer_column": ["sigvol"], "condition": {"file": "1000031"}, "tool": "search_value", "answer": {"sigvol": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the uncertainty of unit cell volume (sigvol) associated with the entry {}?"}
{"question": "What is the primary vibrational frequency (omega1) for the molecule denoted by C#C (SMILES)?", "refer_dataset": "table61", "column names": ["SMILES", "omega1"], "condition_column": ["SMILES"], "answer_column": ["omega1"], "condition": {"SMILES": "C#C"}, "tool": "search_value", "answer": {"omega1": "0.20136633895406"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the primary vibrational frequency (omega1) for the molecule denoted by {} (SMILES)?"}
{"question": "What metal components are present in the catalyst with Ni-5,60%/Pt-1,00%% weight metal loading?", "refer_dataset": "table29", "column names": ["WeigthMetalLoading", "MetalPart"], "condition_column": ["WeigthMetalLoading"], "answer_column": ["MetalPart"], "condition": {"WeigthMetalLoading": "Ni-5,60%/Pt-1,00%"}, "tool": "search_value", "answer": {"MetalPart": "NiPt"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What metal components are present in the catalyst with {}% weight metal loading?"}
{"question": "Report the X site element for a material where the primary A site is Ba, tertiary A site is La, and formation energy is -2.22451694737 eV/atom.", "refer_dataset": "table35", "column names": ["A site #1", "A site #3", "formation_energy (eV/atom)", "X site"], "condition_column": ["A site #1", "A site #3", "formation_energy (eV/atom)"], "answer_column": ["X site"], "condition": {"A site #1": "Ba", "A site #3": "La", "formation_energy (eV/atom)": "-2.22451694737"}, "tool": "search_value", "answer": {"X site": "O"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the X site element for a material where the primary A site is {}, tertiary A site is {}, and formation energy is {} eV/atom."}
{"question": "Determine the electronic spillage value for the material with formula RuCl3 and shear modulus na?", "refer_dataset": "table48", "column names": ["formula", "shear_modulus_gv", "spillage"], "condition_column": ["formula", "shear_modulus_gv"], "answer_column": ["spillage"], "condition": {"formula": "RuCl3", "shear_modulus_gv": "na"}, "tool": "search_value", "answer": {"spillage": "0.264"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the electronic spillage value for the material with formula {} and shear modulus {}?"}
{"question": "What perovskite corresponds to a similarity score of LaCrO3?", "refer_dataset": "table14", "column names": ["Perovskite", "similarity"], "condition_column": ["Perovskite"], "answer_column": ["similarity"], "condition": {"Perovskite": "LaCrO3"}, "tool": "search_value", "answer": {"similarity": "0.288529"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What perovskite corresponds to a similarity score of {}?"}
{"question": "Identify the support material used with primary metal Li, secondary metal Mg, and a conversion yield of 11.5%?", "refer_dataset": "table28", "column names": ["M1", "M2", "C2y", "Support"], "condition_column": ["M1", "M2", "C2y"], "answer_column": ["Support"], "condition": {"M1": "Li", "M2": "Mg", "C2y": "11.5"}, "tool": "search_value", "answer": {"Support": "Al"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the support material used with primary metal {}, secondary metal {}, and a conversion yield of {}%?"}
{"question": "What is the AFLOWLIB Uniform Resource Locator (AURL) for the entry with the AFLOWLIB Unique Identifier (auid) 044f554c7ef37b62?", "refer_dataset": "table43", "column names": ["auid", "aurl"], "condition_column": ["auid"], "answer_column": ["aurl"], "condition": {"auid": "044f554c7ef37b62"}, "tool": "search_value", "answer": {"aurl": "aflowlib.duke.edu:AFLOWDATA/LIB3_RAW/Ba_svClSb/TFCC008.CAB"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the AFLOWLIB Uniform Resource Locator (AURL) for the entry with the AFLOWLIB Unique Identifier (auid) {}?"}
{"question": "How many atoms are present in the Mg-F compound with the job identifier JQE-6?", "refer_dataset": "table59", "column names": ["jid", "natoms"], "condition_column": ["jid"], "answer_column": ["natoms"], "condition": {"jid": "JQE-6"}, "tool": "search_value", "answer": {"natoms": "4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many atoms are present in the Mg-F compound with the job identifier {}?"}
{"question": "What is the bulk modulus of the compound Nb4CoSi that exhibits a shear modulus of 97.0 and band gap (gap pbe) of 0.0064000000000001?", "refer_dataset": "table54", "column names": ["formula", "shear modulus", "gap pbe", "bulk modulus"], "condition_column": ["formula", "shear modulus", "gap pbe"], "answer_column": ["bulk modulus"], "condition": {"formula": "Nb4CoSi", "shear modulus": "97.0", "gap pbe": "0.0064000000000001"}, "tool": "search_value", "answer": {"bulk modulus": "191.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk modulus of the compound {} that exhibits a shear modulus of {} and band gap (gap pbe) of {}?"}
{"question": "Which job identifier is associated with bulk formula Xe at chemical potential 2.31789515?", "refer_dataset": "table68", "column names": ["bulk_formula", "chem_pot", "jid"], "condition_column": ["bulk_formula", "chem_pot"], "answer_column": ["jid"], "condition": {"bulk_formula": "Xe", "chem_pot": "2.31789515"}, "tool": "search_value", "answer": {"jid": "JVASP-25248"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which job identifier is associated with bulk formula {} at chemical potential {}?"}
{"question": "What is the enthalpy (H) of a material with internal energy (U0) of -13.088187217712402 and zero-point vibrational energy 0.4517362117767334?", "refer_dataset": "table60", "column names": ["U0", "zpve", "H"], "condition_column": ["U0", "zpve"], "answer_column": ["H"], "condition": {"U0": "-13.088187217712402", "zpve": "0.4517362117767334"}, "tool": "search_value", "answer": {"H": "-13.186664581298828"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the enthalpy (H) of a material with internal energy (U0) of {} and zero-point vibrational energy {}?"}
{"question": "What geometric shape (polyhedron) surrounds the lanthanide ion in compound [Pc2Er]TBA?", "refer_dataset": "table34", "column names": ["compound", "closest_polyhedron"], "condition_column": ["compound"], "answer_column": ["closest_polyhedron"], "condition": {"compound": "[Pc2Er]TBA"}, "tool": "search_value", "answer": {"closest_polyhedron": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What geometric shape (polyhedron) surrounds the lanthanide ion in compound {}?"}
{"question": "What is the elastic tensor for a material with space group symbol P2_1/c and elemental search tags -Bi-K?", "refer_dataset": "table47", "column names": ["spg_symbol", "search", "elastic_tensor"], "condition_column": ["spg_symbol", "search"], "answer_column": ["elastic_tensor"], "condition": {"spg_symbol": "P2_1/c", "search": "-Bi-K"}, "tool": "search_value", "answer": {"elastic_tensor": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the elastic tensor for a material with space group symbol {} and elemental search tags {}?"}
{"question": "What is the HSE calculated band gap for the material identified by Perov-1?", "refer_dataset": "table49", "column names": ["id", "HSE_gap"], "condition_column": ["id"], "answer_column": ["HSE_gap"], "condition": {"id": "Perov-1"}, "tool": "search_value", "answer": {"HSE_gap": "3.02"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HSE calculated band gap for the material identified by {}?"}
{"question": "Which material with elements ['Ac'] and space group 227 has the lowest energy above the convex hull?", "refer_dataset": "table44", "column names": ["elements", "spg", "e_above_hull"], "condition_column": ["elements", "spg"], "answer_column": ["e_above_hull"], "condition": {"elements": "['Ac']", "spg": "227"}, "tool": "search_value", "answer": {"e_above_hull": "1.6356292"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which material with elements {} and space group {} has the lowest energy above the convex hull?"}
{"question": "What is the secondary B2 site cation in the perovskite referenced as [A154]?", "refer_dataset": "table5", "column names": ["Ref", "B2 site"], "condition_column": ["Ref"], "answer_column": ["B2 site"], "condition": {"Ref": "[A154]"}, "tool": "search_value", "answer": {"B2 site": "Nb"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary B2 site cation in the perovskite referenced as {}?"}
{"question": "What methane partial pressure corresponds to a contact duration of 18.2?", "refer_dataset": "table20", "column names": ["Contact-times", "CH4-pressure"], "condition_column": ["Contact-times"], "answer_column": ["CH4-pressure"], "condition": {"Contact-times": "18.2"}, "tool": "search_value", "answer": {"CH4-pressure": "0.65"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What methane partial pressure corresponds to a contact duration of {}?"}
{"question": "What is the formation energy per atom for the material with chemical composition FeO2?", "refer_dataset": "table48", "column names": ["formula", "formation_energy_peratom"], "condition_column": ["formula"], "answer_column": ["formation_energy_peratom"], "condition": {"formula": "FeO2"}, "tool": "search_value", "answer": {"formation_energy_peratom": "-1.21751"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy per atom for the material with chemical composition {}?"}
{"question": "What oxygen partial pressure is used at a reaction temperature of 781.0?", "refer_dataset": "table20", "column names": ["Temperature", "O2-pressure"], "condition_column": ["Temperature"], "answer_column": ["O2-pressure"], "condition": {"Temperature": "781.0"}, "tool": "search_value", "answer": {"O2-pressure": "0.08"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What oxygen partial pressure is used at a reaction temperature of {}?"}
{"question": "Retrieve the thermodynamic stability metric of the material identified by entry ID 472977.0.", "refer_dataset": "table57", "column names": ["_oqmd_entry_id", "_oqmd_stability"], "condition_column": ["_oqmd_entry_id"], "answer_column": ["_oqmd_stability"], "condition": {"_oqmd_entry_id": "472977.0"}, "tool": "search_value", "answer": {"_oqmd_stability": "0.278266617454982"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the thermodynamic stability metric of the material identified by entry ID {}."}
{"question": "Determine the formula_energy for the material with ID 1454 and formula MoS2.", "refer_dataset": "table64", "column names": ["id", "formula", "formula_energy"], "condition_column": ["id", "formula"], "answer_column": ["formula_energy"], "condition": {"id": "1454", "formula": "MoS2"}, "tool": "search_value", "answer": {"formula_energy": "-0.95401032496"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the formula_energy for the material with ID {} and formula {}."}
{"question": "For experiments using CBP/BWO-1 as the photocatalyst, MOF Type COMP, and phase Gas, what is the total product yield (mmol/g)?", "refer_dataset": "table7", "column names": ["Photocatalyst(s)", "MOF_Type", "Phase", "total"], "condition_column": ["Photocatalyst(s)", "MOF_Type", "Phase"], "answer_column": ["total"], "condition": {"Photocatalyst(s)": "CBP/BWO-1", "MOF_Type": "COMP", "Phase": "Gas"}, "tool": "search_value", "answer": {"total": "30.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For experiments using {} as the photocatalyst, MOF Type {}, and phase {}, what is the total product yield (mmol/g)?"}
{"question": "What chemical element symbol corresponds to vacancy formation factors ['Ni,4,1.704'] in material type 3D?", "refer_dataset": "table68", "column names": ["ff_vac", "material_type", "symbol"], "condition_column": ["ff_vac", "material_type"], "answer_column": ["symbol"], "condition": {"ff_vac": "['Ni,4,1.704']", "material_type": "3D"}, "tool": "search_value", "answer": {"symbol": "Ni"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What chemical element symbol corresponds to vacancy formation factors {} in material type {}?"}
{"question": "Which composition has a coercivity value of 131.0 kA/m?", "refer_dataset": "table32", "column names": ["kA/m", "composition"], "condition_column": ["kA/m"], "answer_column": ["composition"], "condition": {"kA/m": "131.0"}, "tool": "search_value", "answer": {"composition": "Ni_40Fe_30Co_30"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which composition has a coercivity value of {} kA/m?"}
{"question": "How many ligands are bonded to the lanthanide in the compound [Pc2Tb]TBA:[Pc2Y]TBA = 1/4?", "refer_dataset": "table34", "column names": ["compound", "coordination_number"], "condition_column": ["compound"], "answer_column": ["coordination_number"], "condition": {"compound": "[Pc2Tb]TBA:[Pc2Y]TBA = 1/4"}, "tool": "search_value", "answer": {"coordination_number": "8.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many ligands are bonded to the lanthanide in the compound {}?"}
{"question": "Determine the post-simulation atomic structure (final_atoms) for surface material CdO.", "refer_dataset": "table66", "column names": ["formula", "final_atoms"], "condition_column": ["formula"], "answer_column": ["final_atoms"], "condition": {"formula": "CdO"}, "tool": "search_value", "answer": {"final_atoms": "{'lattice_mat': [[4.75616, 0.0, 0.0], [0.0, 4.75616, 0.0], [0.0, 0.0, 31.02464]], 'coords': [[0.75, 0.75, 0.03807655], [0.75, 0.75, 0.1913734], [0.75, 0.75, 0.34501315], [0.75, 0.75, 0.49867722], [0.75, 0.25, 0.11453344], [0.75, 0.25, 0.26819752], [0.75, 0.25, 0.42183726], [0.75, 0.25, 0.57513411], [0.25, 0.75, 0.11453344], [0.25, 0.75, 0.26819752], [0.25, 0.75, 0.42183726], [0.25, 0.75, 0.57513411], [0.25, 0.25, 0.03807655], [0.25, 0.25, 0.1913734], [0.25, 0.25, 0.34501315], [0.25, 0.25, 0.49867722], [0.75, 0.75, 0.11464873], [0.75, 0.75, 0.26820746], [0.75, 0.75, 0.42181431], [0.75, 0.75, 0.57525314], [0.75, 0.25, 0.03795752], [0.75, 0.25, 0.19139635], [0.75, 0.25, 0.3450032], [0.75, 0.25, 0.49856194], [0.25, 0.75, 0.03795752], [0.25, 0.75, 0.19139635], [0.25, 0.75, 0.3450032], [0.25, 0.75, 0.49856194], [0.25, 0.25, 0.11464873], [0.25, 0.25, 0.26820746], [0.25, 0.25, 0.42181431], [0.25, 0.25, 0.57525314]], 'elements': ['Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'], 'abc': [4.75616, 4.75616, 31.02464], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the post-simulation atomic structure (final_atoms) for surface material {}."}
{"question": "What is the delta_e for a material with entry ID 472982.0 and a band gap of 0.0?", "refer_dataset": "table57", "column names": ["_oqmd_entry_id", "_oqmd_band_gap", "_oqmd_delta_e"], "condition_column": ["_oqmd_entry_id", "_oqmd_band_gap"], "answer_column": ["_oqmd_delta_e"], "condition": {"_oqmd_entry_id": "472982.0", "_oqmd_band_gap": "0.0"}, "tool": "search_value", "answer": {"_oqmd_delta_e": "0.0978438718534491"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the delta_e for a material with entry ID {} and a band gap of {}?"}
{"question": "Determine the surface area (m²/cm³) of an MOF with minimum CO₂ adsorption 0.0733042, largest cavity diameter 4.75 Å, and CO₂ pressure [0.01, 0.05, 0.1, 0.5, 2.5] bar.", "refer_dataset": "table50", "column names": ["min_co2_adsp", "lcd", "co2_pressures", "surface_area_m2cm3"], "condition_column": ["min_co2_adsp", "lcd", "co2_pressures"], "answer_column": ["surface_area_m2cm3"], "condition": {"min_co2_adsp": "0.0733042", "lcd": "4.75", "co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "tool": "search_value", "answer": {"surface_area_m2cm3": "892.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the surface area (m²/cm³) of an MOF with minimum CO₂ adsorption {}, largest cavity diameter {} Å, and CO₂ pressure {} bar."}
{"question": "Report the exfoliation energy per atom of the material where the total magnetization is 0.7488541 and the bandgap is 0.0.", "refer_dataset": "table67", "column names": ["total_magnetization", "bandgap", "exfoliation_energy_per_atom"], "condition_column": ["total_magnetization", "bandgap"], "answer_column": ["exfoliation_energy_per_atom"], "condition": {"total_magnetization": "0.7488541", "bandgap": "0.0"}, "tool": "search_value", "answer": {"exfoliation_energy_per_atom": "0.21064539999999976"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the exfoliation energy per atom of the material where the total magnetization is {} and the bandgap is {}."}
{"question": "What gamma prime phase size (nm) results from a Cobalt content of 0.0%, Nickel content of 80.6%, and aging at 600.0°C for 4.0 hours?", "refer_dataset": "table39", "column names": ["Co", "Ni", "时效温度T (℃)", "时效时间t (h)", "γ＇相尺寸 (nm)"], "condition_column": ["Co", "Ni", "时效温度T (℃)", "时效时间t (h)"], "answer_column": ["γ＇相尺寸 (nm)"], "condition": {"Co": "0.0", "Ni": "80.6", "时效温度T (℃)": "600.0", "时效时间t (h)": "4.0"}, "tool": "search_value", "answer": {"γ＇相尺寸 (nm)": "1.27"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What gamma prime phase size (nm) results from a Cobalt content of {}%, Nickel content of {}%, and aging at {}°C for {} hours?"}
{"question": "What is the melting point (in Kelvin) of the element with symbol Ne?", "refer_dataset": "table36", "column names": ["Symbol", "MP (K)"], "condition_column": ["Symbol"], "answer_column": ["MP (K)"], "condition": {"Symbol": "Ne"}, "tool": "search_value", "answer": {"MP (K)": "24.55"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the melting point (in Kelvin) of the element with symbol {}?"}
{"question": "What is the BET surface area (m²/g) of the catalyst titled \"6,6%NiPt(19:1)/Al2O3Active\"؟", "refer_dataset": "table29", "column names": ["title", "SBET(m2/g)"], "condition_column": ["title"], "answer_column": ["SBET(m2/g)"], "condition": {"title": "6,6%NiPt(19:1)/Al2O3Active"}, "tool": "search_value", "answer": {"SBET(m2/g)": "nodata"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the BET surface area (m²/g) of the catalyst titled \"{}\"؟"}
{"question": "For a system with a final energy of -201.02516344 and a band alignment offset of 0.8230729226123605, what is the valence band maximum (VBM)?", "refer_dataset": "table52", "column names": ["final_energy", "offset", "optb88vdw_vbm"], "condition_column": ["final_energy", "offset"], "answer_column": ["optb88vdw_vbm"], "condition": {"final_energy": "-201.02516344", "offset": "0.8230729226123605"}, "tool": "search_value", "answer": {"optb88vdw_vbm": "6.4261"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a system with a final energy of {} and a band alignment offset of {}, what is the valence band maximum (VBM)?"}
{"question": "What oxygen partial pressure is required to achieve a CH₄ conversion of 11.0 at a contact time of 0.04?", "refer_dataset": "table20", "column names": ["CH4-conversion%", "Contact-times", "O2-pressure"], "condition_column": ["CH4-conversion%", "Contact-times"], "answer_column": ["O2-pressure"], "condition": {"CH4-conversion%": "11.0", "Contact-times": "0.04"}, "tool": "search_value", "answer": {"O2-pressure": "0.084"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What oxygen partial pressure is required to achieve a CH₄ conversion of {} at a contact time of {}?"}
{"question": "Identify the support material used with primary metal Li, secondary metal Ni, and a conversion yield of 16.7%?", "refer_dataset": "table28", "column names": ["M1", "M2", "C2y", "Support"], "condition_column": ["M1", "M2", "C2y"], "answer_column": ["Support"], "condition": {"M1": "Li", "M2": "Ni", "C2y": "16.7"}, "tool": "search_value", "answer": {"Support": "Ti"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the support material used with primary metal {}, secondary metal {}, and a conversion yield of {}%?"}
{"question": "Determine the year of publication for a study on OD-Cu+ Sn catalysts with 0.0 co-catalyst and 0.0 functionalization.", "refer_dataset": "table12", "column names": ["Material", "Co catalyst", "Functionalization", "Year"], "condition_column": ["Material", "Co catalyst", "Functionalization"], "answer_column": ["Year"], "condition": {"Material": "OD-Cu+ Sn", "Co catalyst": "0.0", "Functionalization": "0.0"}, "tool": "search_value", "answer": {"Year": "2016.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the year of publication for a study on {} catalysts with {} co-catalyst and {} functionalization."}
{"question": "Determine the final simulation energy for the surface structure named Surface-JVASP-1699_miller_1_1_0_thickness_16_VASP_PBE_noDP.", "refer_dataset": "table66", "column names": ["name", "final_energy"], "condition_column": ["name"], "answer_column": ["final_energy"], "condition": {"name": "Surface-JVASP-1699_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"final_energy": "-154.37363967"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the final simulation energy for the surface structure named {}."}
{"question": "What is the PBE decomposition energy for the perovskite material identified by Perov-6?", "refer_dataset": "table49", "column names": ["id", "PBE_decomp_energy"], "condition_column": ["id"], "answer_column": ["PBE_decomp_energy"], "condition": {"id": "Perov-6"}, "tool": "search_value", "answer": {"PBE_decomp_energy": "-0.15"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the PBE decomposition energy for the perovskite material identified by {}?"}
{"question": "Find the aging temperature (°C) needed for a gamma prime size of 800.0 nm, solution time of 7.0h, and 12.0% Cobalt.", "refer_dataset": "table39", "column names": ["时效温度T (℃)", "γ＇相尺寸 (nm)", "固溶时间t (h)", "Co"], "condition_column": ["时效温度T (℃)", "γ＇相尺寸 (nm)", "固溶时间t (h)"], "answer_column": ["Co"], "condition": {"时效温度T (℃)": "800.0", "γ＇相尺寸 (nm)": "7.0", "固溶时间t (h)": "12.0"}, "tool": "search_value", "answer": {"Co": "80.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the aging temperature (°C) needed for a gamma prime size of {} nm, solution time of {}h, and {}% Cobalt."}
{"question": "What is the formula_energy of the material with ID 988 and chemical formula F5Nb?", "refer_dataset": "table64", "column names": ["id", "formula", "formula_energy"], "condition_column": ["id", "formula"], "answer_column": ["formula_energy"], "condition": {"id": "988", "formula": "F5Nb"}, "tool": "search_value", "answer": {"formula_energy": "-3.133118821"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formula_energy of the material with ID {} and chemical formula {}?"}
{"question": "Retrieve the diffraction temperature (diffrtemp) recorded in the COD file 1000001?", "refer_dataset": "table38", "column names": ["file", "diffrtemp"], "condition_column": ["file"], "answer_column": ["diffrtemp"], "condition": {"file": "1000001"}, "tool": "search_value", "answer": {"diffrtemp": "293.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the diffraction temperature (diffrtemp) recorded in the COD file {}?"}
{"question": "What is the CO yield percentage at a CH4/O2 ratio of 27,5?", "refer_dataset": "table27", "column names": ["CO yield(%)", "CH4/O2 ratio"], "condition_column": ["CO yield(%)"], "answer_column": ["CH4/O2 ratio"], "condition": {"CO yield(%)": "27,5"}, "tool": "search_value", "answer": {"CH4/O2 ratio": "1,8"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CO yield percentage at a CH4/O2 ratio of {}?"}
{"question": "What is the reaction rate constant logarithm (-log(k)) for Sulfacetamide natrium salt at light intensity 2.9 mW/cm²?", "refer_dataset": "table9", "column names": ["OC", "I, mW/cm2", "-log(k), min-1"], "condition_column": ["OC", "I, mW/cm2"], "answer_column": ["-log(k), min-1"], "condition": {"OC": "Sulfacetamide natrium salt", "I, mW/cm2": "2.9"}, "tool": "search_value", "answer": {"-log(k), min-1": "1.4112"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the reaction rate constant logarithm (-log(k)) for {} at light intensity {} mW/cm²?"}
{"question": "Which Job Identifier corresponds to the compound with species H2CO?", "refer_dataset": "table46", "column names": ["species", "jid"], "condition_column": ["species"], "answer_column": ["jid"], "condition": {"species": "H2CO"}, "tool": "search_value", "answer": {"jid": "cc-12"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which Job Identifier corresponds to the compound with species {}?"}
{"question": "Determine the electron affinity of element A (EAa) in the material Sr2/3Zn1/3TiO3.", "refer_dataset": "table2", "column names": ["Materials", "EAa"], "condition_column": ["Materials"], "answer_column": ["EAa"], "condition": {"Materials": "Sr2/3Zn1/3TiO3"}, "tool": "search_value", "answer": {"EAa": "3.13"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the electron affinity of element A (EAa) in the material {}."}
{"question": "What is the formation energy per atom for the material mp-1181385 (Materials Project ID)?", "refer_dataset": "table55", "column names": ["material_id", "formation_energy_per_atom"], "condition_column": ["material_id"], "answer_column": ["formation_energy_per_atom"], "condition": {"material_id": "mp-1181385"}, "tool": "search_value", "answer": {"formation_energy_per_atom": "-1.0492683965833334"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy per atom for the material {} (Materials Project ID)?"}
{"question": "What is the unit cell volume (vol) of the material with the label NH-CO-NH-CO?", "refer_dataset": "table58", "column names": ["label", "vol"], "condition_column": ["label"], "answer_column": ["vol"], "condition": {"label": "NH-CO-NH-CO"}, "tool": "search_value", "answer": {"vol": "29.6269"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unit cell volume (vol) of the material with the label {}?"}
{"question": "At what temperature (°C) was the organic compound Sulfisoxazole tested?", "refer_dataset": "table9", "column names": ["OC", "T, oC"], "condition_column": ["OC"], "answer_column": ["T, oC"], "condition": {"OC": "Sulfisoxazole"}, "tool": "search_value", "answer": {"T, oC": "25"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what temperature (°C) was the organic compound {} tested?"}
{"question": "Find the sulfate ion relationships: What CO3 ion concentration occurs at polymer type PSS, temperature 76 C, and surfactant 0.0%?", "refer_dataset": "table42", "column names": ["Polymer type", "Temperature, C", "Surfactant, % wt.", "CO3 ion, mM"], "condition_column": ["Polymer type", "Temperature, C", "Surfactant, % wt."], "answer_column": ["CO3 ion, mM"], "condition": {"Polymer type": "PSS", "Temperature, C": "76", "Surfactant, % wt.": "0.0"}, "tool": "search_value", "answer": {"CO3 ion, mM": "67"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the sulfate ion relationships: What CO3 ion concentration occurs at polymer type {}, temperature {} C, and surfactant {}%?"}
{"question": "What is the Poisson ratio for the material with formula VSe2?", "refer_dataset": "table47", "column names": ["formula", "poisson"], "condition_column": ["formula"], "answer_column": ["poisson"], "condition": {"formula": "VSe2"}, "tool": "search_value", "answer": {"poisson": "0.23"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Poisson ratio for the material with formula {}?"}
{"question": "Determine the unique material ID for the compound with source identifier mvc-14047 and a total energy per atom of -5.516883573333334.", "refer_dataset": "table67", "column names": ["source_id", "energy_per_atom", "material_id"], "condition_column": ["source_id", "energy_per_atom"], "answer_column": ["material_id"], "condition": {"source_id": "mvc-14047", "energy_per_atom": "-5.516883573333334"}, "tool": "search_value", "answer": {"material_id": "2dm-7"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the unique material ID for the compound with source identifier {} and a total energy per atom of {}."}
{"question": "How much magnetic moment (mu_b) does the material with formula TlAgTe2 exhibit?", "refer_dataset": "table56", "column names": ["formula", "mu_b"], "condition_column": ["formula"], "answer_column": ["mu_b"], "condition": {"formula": "TlAgTe2"}, "tool": "search_value", "answer": {"mu_b": "1.47e-05"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How much magnetic moment (mu_b) does the material with formula {} exhibit?"}
{"question": "What material ID is linked to a formula_energy of 988?", "refer_dataset": "table64", "column names": ["id", "formula_energy"], "condition_column": ["id"], "answer_column": ["formula_energy"], "condition": {"id": "988"}, "tool": "search_value", "answer": {"formula_energy": "-3.133118821"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What material ID is linked to a formula_energy of {}?"}
{"question": "Which molecular formula has a photocatalyst dose of Sr0.9Bi0.1Ti0.9Fe0.1O3 g L-1?", "refer_dataset": "table1", "column names": ["Molecular formula", "Photocatalyst dose(g L-1)"], "condition_column": ["Molecular formula"], "answer_column": ["Photocatalyst dose(g L-1)"], "condition": {"Molecular formula": "Sr0.9Bi0.1Ti0.9Fe0.1O3"}, "tool": "search_value", "answer": {"Photocatalyst dose(g L-1)": "1.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which molecular formula has a photocatalyst dose of {} g L-1?"}
{"question": "What reaction solution is associated with a preparation method of 10%v/v CH3OH+4g NaOH?", "refer_dataset": "table1", "column names": ["Reaction solution", "Preparation method"], "condition_column": ["Reaction solution"], "answer_column": ["Preparation method"], "condition": {"Reaction solution": "10%v/v CH3OH+4g NaOH"}, "tool": "search_value", "answer": {"Preparation method": "Hydrothermal"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reaction solution is associated with a preparation method of {}?"}
{"question": "Which primary anion X is present in materials with a surface area of 4.5 m²/g?", "refer_dataset": "table4", "column names": ["Surface Area(m2/g)", "X"], "condition_column": ["Surface Area(m2/g)"], "answer_column": ["X"], "condition": {"Surface Area(m2/g)": "4.5"}, "tool": "search_value", "answer": {"X": "O"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which primary anion X is present in materials with a surface area of {} m²/g?"}
{"question": "With Ag dopant and 125.0 catalyst/pollutant ratio, what is the required Illumination time(min)?", "refer_dataset": "table8", "column names": ["Dopant", "Catalyst/Pollutant mass ratio", "Illumination time(min)"], "condition_column": ["Dopant", "Catalyst/Pollutant mass ratio"], "answer_column": ["Illumination time(min)"], "condition": {"Dopant": "Ag", "Catalyst/Pollutant mass ratio": "125.0"}, "tool": "search_value", "answer": {"Illumination time(min)": "180"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "With {} dopant and {} catalyst/pollutant ratio, what is the required Illumination time(min)?"}
{"question": "Find the Bader atomic volumes for the material with ID fdf3451fe39aa446-desc.", "refer_dataset": "table43", "column names": ["id", "bader_atomic_volumes"], "condition_column": ["id"], "answer_column": ["bader_atomic_volumes"], "condition": {"id": "fdf3451fe39aa446-desc"}, "tool": "search_value", "answer": {"bader_atomic_volumes": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Bader atomic volumes for the material with ID {}."}
{"question": "Which SMILES notation corresponds to an OSDA with a mean asphericity of 0.6955172476938073?", "refer_dataset": "table41", "column names": ["asphericity_mean_0", "osda smiles"], "condition_column": ["asphericity_mean_0"], "answer_column": ["osda smiles"], "condition": {"asphericity_mean_0": "0.6955172476938073"}, "tool": "search_value", "answer": {"osda smiles": "C(CCN1CCOCCOCCOCCOCCOCC1)CN1CCOCCOCCOCCOCCOCC1"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which SMILES notation corresponds to an OSDA with a mean asphericity of {}?"}
{"question": "Find the tolerance factor (t) of materials with electron affinity of element A (EAa) = 43.129 eV and element B's electron affinity (EAb) = 15.396 eV.", "refer_dataset": "table3", "column names": ["EAa", "EAb", "t"], "condition_column": ["EAa", "EAb"], "answer_column": ["t"], "condition": {"EAa": "43.129", "EAb": "15.396"}, "tool": "search_value", "answer": {"t": "0.886"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the tolerance factor (t) of materials with electron affinity of element A (EAa) = {} eV and element B's electron affinity (EAb) = {} eV."}
{"question": "For the material with ID mp-100, what is its stability (e_hull) metric?", "refer_dataset": "table54", "column names": ["id", "e_hull"], "condition_column": ["id"], "answer_column": ["e_hull"], "condition": {"id": "mp-100"}, "tool": "search_value", "answer": {"e_hull": "0.1811112450000003"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with ID {}, what is its stability (e_hull) metric?"}
{"question": "What magnetic moment (mu_b) is recorded for the material with the formula Al(CoSi)2?", "refer_dataset": "table54", "column names": ["formula", "mu_b"], "condition_column": ["formula"], "answer_column": ["mu_b"], "condition": {"formula": "Al(CoSi)2"}, "tool": "search_value", "answer": {"mu_b": "-0.0002328"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What magnetic moment (mu_b) is recorded for the material with the formula {}?"}
{"question": "What is the chemical formula for the material identified by 1917?", "refer_dataset": "table64", "column names": ["id", "formula"], "condition_column": ["id"], "answer_column": ["formula"], "condition": {"id": "1917"}, "tool": "search_value", "answer": {"formula": "AsO4Sc"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula for the material identified by {}?"}
{"question": "Which crystal system does the compound with formula AsF3 belong to?", "refer_dataset": "table59", "column names": ["formula", "crystal_system"], "condition_column": ["formula"], "answer_column": ["crystal_system"], "condition": {"formula": "AsF3"}, "tool": "search_value", "answer": {"crystal_system": "cubic"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which crystal system does the compound with formula {} belong to?"}
{"question": "Identify the unit cell volume (ų) for a material with element D as H, lattice parameter 4.0820322165 Å, and En value 2.", "refer_dataset": "table22", "column names": ["D", "Lattice", "En", "Volume"], "condition_column": ["D", "Lattice", "En"], "answer_column": ["Volume"], "condition": {"D": "H", "Lattice": "4.0820322165", "En": "2"}, "tool": "search_value", "answer": {"Volume": "68.0188498248"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the unit cell volume (ų) for a material with element D as {}, lattice parameter {} Å, and En value {}."}
{"question": "What is the bandgap energy (Eg) in eV for the perovskite material with composition Sr0.9La0.1Ti0.9Cr0.1O3?", "refer_dataset": "table2", "column names": ["Materials", "Eg(eV)"], "condition_column": ["Materials"], "answer_column": ["Eg(eV)"], "condition": {"Materials": "Sr0.9La0.1Ti0.9Cr0.1O3"}, "tool": "search_value", "answer": {"Eg(eV)": "2.31"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bandgap energy (Eg) in eV for the perovskite material with composition {}?"}
{"question": "What is the standard deviation of inertial shape factor (inertial_shape_factor_std_0) for SMILES C(CCCC[N+]12CCN(CC1)CC2)CCC[N+]12CCN(CC1)CC2?", "refer_dataset": "table41", "column names": ["osda smiles", "inertial_shape_factor_std_0"], "condition_column": ["osda smiles"], "answer_column": ["inertial_shape_factor_std_0"], "condition": {"osda smiles": "C(CCCC[N+]12CCN(CC1)CC2)CCC[N+]12CCN(CC1)CC2"}, "tool": "search_value", "answer": {"inertial_shape_factor_std_0": "0.000131353"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the standard deviation of inertial shape factor (inertial_shape_factor_std_0) for SMILES {}?"}
{"question": "Determine the molar mass (M) of a material where the radius ratio (Ra/Rb) is 1.543, bandgap energy (Eg) is 3.15 eV, and electron affinity of A (EAa) is 3.13.", "refer_dataset": "table2", "column names": ["Ra/Rb", "Eg(eV)", "EAa", "M"], "condition_column": ["Ra/Rb", "Eg(eV)", "EAa"], "answer_column": ["M"], "condition": {"Ra/Rb": "1.543", "Eg(eV)": "3.15", "EAa": "3.13"}, "tool": "search_value", "answer": {"M": "176.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the molar mass (M) of a material where the radius ratio (Ra/Rb) is {}, bandgap energy (Eg) is {} eV, and electron affinity of A (EAa) is {}."}
{"question": "Which perovskite material has a value of LiVO3 in feature 10?", "refer_dataset": "table14", "column names": ["Perovskite", "10"], "condition_column": ["Perovskite"], "answer_column": ["10"], "condition": {"Perovskite": "LiVO3"}, "tool": "search_value", "answer": {"10": "-0.0066"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which perovskite material has a value of {} in feature 10?"}
{"question": "Determine the Support material used when Metal 3 component is Mn, PAr is 0.15 atm, and C₂ yield is 8.2%?", "refer_dataset": "table23", "column names": ["M3", "PAr (atm)", "C2 yield (%)", "Support"], "condition_column": ["M3", "PAr (atm)", "C2 yield (%)"], "answer_column": ["Support"], "condition": {"M3": "Mn", "PAr (atm)": "0.15", "C2 yield (%)": "8.2"}, "tool": "search_value", "answer": {"Support": "MgO"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the Support material used when Metal 3 component is {}, PAr is {} atm, and C₂ yield is {}%?"}
{"question": "For the material with ID Perov-2, what is the tolerance factor (Tol)?", "refer_dataset": "table49", "column names": ["id", "Tol"], "condition_column": ["id"], "answer_column": ["Tol"], "condition": {"id": "Perov-2"}, "tool": "search_value", "answer": {"Tol": "1.032"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with ID {}, what is the tolerance factor (Tol)?"}
{"question": "What chemical environment (1=electrolyte, 2=pressure) is used for a 0.0 co-catalyst at pH 6.8 with OD-Cu+ Sn material?", "refer_dataset": "table12", "column names": ["Co catalyst", "pH", "Material", "Chemical Environment 1=electrolyte 2=pressure"], "condition_column": ["Co catalyst", "pH", "Material"], "answer_column": ["Chemical Environment 1=electrolyte 2=pressure"], "condition": {"Co catalyst": "0.0", "pH": "6.8", "Material": "OD-Cu+ Sn"}, "tool": "search_value", "answer": {"Chemical Environment 1=electrolyte 2=pressure": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What chemical environment (1=electrolyte, 2=pressure) is used for a {} co-catalyst at pH {} with {} material?"}
{"question": "What is the maximum adsorption capacity of an MOF with volumetric surface area 892.1 m²/cm³, void fraction 0.3975189999999999, and ID hMOF-31783?", "refer_dataset": "table50", "column names": ["surface_area_m2cm3", "void_fraction", "id", "max_co2_adsp"], "condition_column": ["surface_area_m2cm3", "void_fraction", "id"], "answer_column": ["max_co2_adsp"], "condition": {"surface_area_m2cm3": "892.1", "void_fraction": "0.3975189999999999", "id": "hMOF-31783"}, "tool": "search_value", "answer": {"max_co2_adsp": "3.87465"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the maximum adsorption capacity of an MOF with volumetric surface area {} m²/cm³, void fraction {}, and ID {}?"}
{"question": "Which light type is associated with a wavelength cutoff of 410.0 nm?", "refer_dataset": "table4", "column names": ["Wave length(<nm)", "Light Type"], "condition_column": ["Wave length(<nm)"], "answer_column": ["Light Type"], "condition": {"Wave length(<nm)": "410.0"}, "tool": "search_value", "answer": {"Light Type": "Xe"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which light type is associated with a wavelength cutoff of {} nm?"}
{"question": "Which DFT functional was used for the material with formula MoW3Se2S6?", "refer_dataset": "table47", "column names": ["formula", "func"], "condition_column": ["formula"], "answer_column": ["func"], "condition": {"formula": "MoW3Se2S6"}, "tool": "search_value", "answer": {"func": "OptB88vdW"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which DFT functional was used for the material with formula {}?"}
{"question": "Determine the Structure-directing agent amount (SDA) required for a reaction with Germanium molar ratio (Ge) of 0.583, Hydrofluoric acid quantity (HF) of 1.333, and Framework Density 1 parameter (FD1) of 0.0.", "refer_dataset": "table40", "column names": ["SDA", "Ge", "HF", "FD1"], "condition_column": ["SDA", "Ge", "HF"], "answer_column": ["FD1"], "condition": {"SDA": "0.583", "Ge": "1.333", "HF": "0.0"}, "tool": "search_value", "answer": {"FD1": "16.2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the Structure-directing agent amount (SDA) required for a reaction with Germanium molar ratio (Ge) of {}, Hydrofluoric acid quantity (HF) of {}, and Framework Density 1 parameter (FD1) of {}."}
{"question": "Which material family does the catalyst Ag in IL belong to?", "refer_dataset": "table12", "column names": ["Catalyst label", "Material Family"], "condition_column": ["Catalyst label"], "answer_column": ["Material Family"], "condition": {"Catalyst label": "Ag in IL"}, "tool": "search_value", "answer": {"Material Family": "d-metal"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which material family does the catalyst {} belong to?"}
{"question": "What is the chemical formula for the crystal structure stored in file 1000031?", "refer_dataset": "table38", "column names": ["file", "formula"], "condition_column": ["file"], "answer_column": ["formula"], "condition": {"file": "1000031"}, "tool": "search_value", "answer": {"formula": "- Ba2 Cu4 O8 Y -"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula for the crystal structure stored in file {}?"}
{"question": "What enthalpy (H) corresponds to the material with Gibbs free energy (G) of -14.763945579528809?", "refer_dataset": "table60", "column names": ["G", "H"], "condition_column": ["G"], "answer_column": ["H"], "condition": {"G": "-14.763945579528809"}, "tool": "search_value", "answer": {"H": "-15.710439682006836"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What enthalpy (H) corresponds to the material with Gibbs free energy (G) of {}?"}
{"question": "Determine the temperature needed for solvent type Propylene glycol, polymer weight 0.0 kDa, and surfactant type Sodium dodecylsulfate.", "refer_dataset": "table42", "column names": ["Solvent type", "Polymer Mwt, kDa", "Surfactant type", "Temperature, C"], "condition_column": ["Solvent type", "Polymer Mwt, kDa", "Surfactant type"], "answer_column": ["Temperature, C"], "condition": {"Solvent type": "Propylene glycol", "Polymer Mwt, kDa": "0.0", "Surfactant type": "Sodium dodecylsulfate"}, "tool": "search_value", "answer": {"Temperature, C": "19"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the temperature needed for solvent type {}, polymer weight {} kDa, and surfactant type {}."}
{"question": "Given a Goldschmidt TF ionic contribution of 0.976827924526, what is the thermal octahedral_factor_ionic ratio?", "refer_dataset": "table37", "column names": ["goldschmidt_TF_ionic", "octahedral_factor_ionic"], "condition_column": ["goldschmidt_TF_ionic"], "answer_column": ["octahedral_factor_ionic"], "condition": {"goldschmidt_TF_ionic": "0.976827924526"}, "tool": "search_value", "answer": {"octahedral_factor_ionic": "0.385714285714"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a Goldschmidt TF ionic contribution of {}, what is the thermal octahedral_factor_ionic ratio?"}
{"question": "Which chemical element symbol has a vacancy formation factor of ['Ni,4,1.704'] in the bulk material Ni?", "refer_dataset": "table68", "column names": ["ff_vac", "bulk_formula", "symbol"], "condition_column": ["ff_vac", "bulk_formula"], "answer_column": ["symbol"], "condition": {"ff_vac": "['Ni,4,1.704']", "bulk_formula": "Ni"}, "tool": "search_value", "answer": {"symbol": "Ni"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which chemical element symbol has a vacancy formation factor of {} in the bulk material {}?"}
{"question": "What is the band gap (gap pbe) of a material with formula Al(CoSi)2, bulk modulus 175.4724468690324, and formation energy (e_form) -0.5368441919999996?", "refer_dataset": "table54", "column names": ["formula", "bulk modulus", "e_form", "gap pbe"], "condition_column": ["formula", "bulk modulus", "e_form"], "answer_column": ["gap pbe"], "condition": {"formula": "Al(CoSi)2", "bulk modulus": "175.4724468690324", "e_form": "-0.5368441919999996"}, "tool": "search_value", "answer": {"gap pbe": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band gap (gap pbe) of a material with formula {}, bulk modulus {}, and formation energy (e_form) {}?"}
{"question": "For a material with HSE decomposition energy of -0.13 eV and an electronic permittivity (Eps_elec) of 3.59, what is the PBE bandgap?", "refer_dataset": "table49", "column names": ["HSE_decomp_energy", "Eps_elec", "PBE_gap"], "condition_column": ["HSE_decomp_energy", "Eps_elec"], "answer_column": ["PBE_gap"], "condition": {"HSE_decomp_energy": "-0.13", "Eps_elec": "3.59"}, "tool": "search_value", "answer": {"PBE_gap": "2.55"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a material with HSE decomposition energy of {} eV and an electronic permittivity (Eps_elec) of {}, what is the PBE bandgap?"}
{"question": "How does the dopant Fe perform at a mole ratio of 0.0 under 120 minutes of illumination?", "refer_dataset": "table8", "column names": ["Dopant", "Dopant/Ti mole ratio", "Illumination time(min)", "Degradation rate(%)"], "condition_column": ["Dopant", "Dopant/Ti mole ratio", "Illumination time(min)"], "answer_column": ["Degradation rate(%)"], "condition": {"Dopant": "Fe", "Dopant/Ti mole ratio": "0.0", "Illumination time(min)": "120"}, "tool": "search_value", "answer": {"Degradation rate(%)": "44.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How does the dopant {} perform at a mole ratio of {} under {} minutes of illumination?"}
{"question": "What is the unique identifier (id) for the material classified as 282?", "refer_dataset": "table58", "column names": ["id", "label"], "condition_column": ["id"], "answer_column": ["label"], "condition": {"id": "282"}, "tool": "search_value", "answer": {"label": "NH-C6H4-NH-O"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unique identifier (id) for the material classified as {}?"}
{"question": "Report the density of element B (ρb) for the material La0.8875Sr0.1125Fe0.9625Ti0.0375O3.", "refer_dataset": "table3", "column names": ["Materials", "ρb"], "condition_column": ["Materials"], "answer_column": ["ρb"], "condition": {"Materials": "La0.8875Sr0.1125Fe0.9625Ti0.0375O3"}, "tool": "search_value", "answer": {"ρb": "7.74"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the density of element B (ρb) for the material {}."}
{"question": "Which parsed authors correspond to papers in math.PR math.AG category published in RIMS Kokyuroku, No.1551, pp.57-62 (2007) journal?", "refer_dataset": "table45", "column names": ["categories", "journal-ref", "authors_parsed"], "condition_column": ["categories", "journal-ref"], "answer_column": ["authors_parsed"], "condition": {"categories": "math.PR math.AG", "journal-ref": "RIMS Kokyuroku, No.1551, pp.57-62 (2007)"}, "tool": "search_value", "answer": {"authors_parsed": "[['Konno', 'Norio', '']]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which parsed authors correspond to papers in {} category published in {} journal?"}
{"question": "What shear modulus is associated with the material TlAgTe2?", "refer_dataset": "table54", "column names": ["formula", "shear modulus"], "condition_column": ["formula"], "answer_column": ["shear modulus"], "condition": {"formula": "TlAgTe2"}, "tool": "search_value", "answer": {"shear modulus": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What shear modulus is associated with the material {}?"}
{"question": "Calculate the first ionization energy of element B (I1b) in materials with Ra = 113.5 Å, χpb = 1.63, and A_Tb = 1436.6 K.", "refer_dataset": "table3", "column names": ["Ra", "χpb", "A_Tb", "I1b"], "condition_column": ["Ra", "χpb", "A_Tb"], "answer_column": ["I1b"], "condition": {"Ra": "113.5", "χpb": "1.63", "A_Tb": "1436.6"}, "tool": "search_value", "answer": {"I1b": "7.15"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the first ionization energy of element B (I1b) in materials with Ra = {} Å, χpb = {}, and A_Tb = {} K."}
{"question": "What is the electronic spatial extent (r2) for the material with identifier 9.0, HOMO energy -8.881796836853027, and LUMO energy 1.0231480598449707?", "refer_dataset": "table60", "column names": ["id", "homo", "lumo", "r2"], "condition_column": ["id", "homo", "lumo"], "answer_column": ["r2"], "condition": {"id": "9.0", "homo": "-8.881796836853027", "lumo": "1.0231480598449707"}, "tool": "search_value", "answer": {"r2": "160.72230529785156"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic spatial extent (r2) for the material with identifier {}, HOMO energy {}, and LUMO energy {}?"}
{"question": "For material Perov-10, what is the HSE mixing energy?", "refer_dataset": "table49", "column names": ["id", "HSE_mix_energy"], "condition_column": ["id"], "answer_column": ["HSE_mix_energy"], "condition": {"id": "Perov-10"}, "tool": "search_value", "answer": {"HSE_mix_energy": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For material {}, what is the HSE mixing energy?"}
{"question": "Determine the post-simulation atomic structure (final_atoms) for surface material ErSbPd.", "refer_dataset": "table66", "column names": ["formula", "final_atoms"], "condition_column": ["formula"], "answer_column": ["final_atoms"], "condition": {"formula": "ErSbPd"}, "tool": "search_value", "answer": {"final_atoms": "{'lattice_mat': [[9.26564442, 0.0, 0.0], [0.0, 6.5518, 0.0], [0.0, 0.0, 25.89846663]], 'coords': [[0.04166621, 0.66799942, 0.04691136], [0.54166645, 0.66677866, 0.22415229], [0.04166669, 0.66850691, 0.40445315], [0.79166657, 0.16850691, 0.13219901], [0.29166681, 0.16677866, 0.31249987], [0.79166704, 0.16799942, 0.4897408], [0.29166633, 0.16850691, 0.13219901], [0.79166657, 0.16677866, 0.31249987], [0.29166681, 0.16799942, 0.4897408], [0.54166645, 0.66799942, 0.04691136], [0.04166669, 0.66677866, 0.22415229], [0.54166692, 0.66850691, 0.40445315], [0.79166657, 0.67105993, 0.13394166], [0.29166681, 0.66720185, 0.31311344], [0.79166704, 0.66006457, 0.4972698], [0.04166621, 0.16006457, 0.03938237], [0.54166645, 0.16720185, 0.22353872], [0.04166669, 0.17105993, 0.4027105], [0.54166645, 0.16006457, 0.03938237], [0.04166669, 0.16720185, 0.22353872], [0.54166692, 0.17105993, 0.4027105], [0.29166633, 0.67105993, 0.13394166], [0.79166657, 0.66720185, 0.31311344], [0.29166681, 0.66006457, 0.4972698], [0.04166669, 0.9122301, 0.13477351], [0.54166692, 0.91753374, 0.31362381], [0.04166716, 0.91862481, 0.4869951], [0.29166633, 0.41862481, 0.04965706], [0.79166657, 0.41753374, 0.22302836], [0.29166681, 0.4122301, 0.40187866], [0.79166657, 0.41862481, 0.04965706], [0.29166681, 0.41753374, 0.22302836], [0.79166704, 0.4122301, 0.40187866], [0.54166645, 0.9122301, 0.13477351], [0.04166669, 0.91753374, 0.31362381], [0.54166692, 0.91862481, 0.4869951]], 'elements': ['Er', 'Er', 'Er', 'Er', 'Er', 'Er', 'Er', 'Er', 'Er', 'Er', 'Er', 'Er', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd'], 'abc': [9.26564, 6.5518, 25.89847], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the post-simulation atomic structure (final_atoms) for surface material {}."}
{"question": "Identify the Methane adsorption energy (CH4Ead) for the material with Composition BeBe.", "refer_dataset": "table24", "column names": ["Composition", "CH4Ead"], "condition_column": ["Composition"], "answer_column": ["CH4Ead"], "condition": {"Composition": "BeBe"}, "tool": "search_value", "answer": {"CH4Ead": "0.9625157899"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the Methane adsorption energy (CH4Ead) for the material with Composition {}."}
{"question": "What is the void fraction of an MOF with surface area 3400.7 m²/g, CO₂ pressure [0.01, 0.05, 0.1, 0.5, 2.5] bar, and ID hMOF-23232?", "refer_dataset": "table50", "column names": ["surface_area_m2g", "co2_pressures", "id", "void_fraction"], "condition_column": ["surface_area_m2g", "co2_pressures", "id"], "answer_column": ["void_fraction"], "condition": {"surface_area_m2g": "3400.7", "co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]", "id": "hMOF-23232"}, "tool": "search_value", "answer": {"void_fraction": "0.768523"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the void fraction of an MOF with surface area {} m²/g, CO₂ pressure {} bar, and ID {}?"}
{"question": "What production rate (μmol/g) occurs with bandgap 2.61 eV, surface area 131.0 m²/g, and Xe light?", "refer_dataset": "table4", "column names": ["BandGap(eV)", "Surface Area(m2/g)", "Light Type", "ProdRate(μmol/g)"], "condition_column": ["BandGap(eV)", "Surface Area(m2/g)", "Light Type"], "answer_column": ["ProdRate(μmol/g)"], "condition": {"BandGap(eV)": "2.61", "Surface Area(m2/g)": "131.0", "Light Type": "Xe"}, "tool": "search_value", "answer": {"ProdRate(μmol/g)": "610.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What production rate (μmol/g) occurs with bandgap {} eV, surface area {} m²/g, and {} light?"}
{"question": "What bulk modulus corresponds to a material with gap pbe 0.0 and mu_b 2.4479362?", "refer_dataset": "table56", "column names": ["gap pbe", "mu_b", "bulk modulus"], "condition_column": ["gap pbe", "mu_b"], "answer_column": ["bulk modulus"], "condition": {"gap pbe": "0.0", "mu_b": "2.4479362"}, "tool": "search_value", "answer": {"bulk modulus": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What bulk modulus corresponds to a material with gap pbe {} and mu_b {}?"}
{"question": "For a system with valence band maximum (VBM) of 5.0019, what is the OptB88-vdW calculated bandgap?", "refer_dataset": "table52", "column names": ["optb88vdw_vbm", "optb88vdw_bandgap"], "condition_column": ["optb88vdw_vbm"], "answer_column": ["optb88vdw_bandgap"], "condition": {"optb88vdw_vbm": "5.0019"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "-0.4756"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a system with valence band maximum (VBM) of {}, what is the OptB88-vdW calculated bandgap?"}
{"question": "Provide the reference identifier for the perovskite compound KTiNbO5 that has primary A site K and cycle3 measurement 350.", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "A site", "cycle3", "Ref"], "condition_column": ["Full Name of Perovskite", "A site", "cycle3"], "answer_column": ["Ref"], "condition": {"Full Name of Perovskite": "KTiNbO5", "A site": "K", "cycle3": "350"}, "tool": "search_value", "answer": {"Ref": "[A152]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the reference identifier for the perovskite compound {} that has primary A site {} and cycle3 measurement {}."}
{"question": "Find the tolerance factor (t) of materials with electron affinity of element A (EAa) = 41.505 eV and element B's electron affinity (EAb) = 15.7 eV.", "refer_dataset": "table3", "column names": ["EAa", "EAb", "t"], "condition_column": ["EAa", "EAb"], "answer_column": ["t"], "condition": {"EAa": "41.505", "EAb": "15.7"}, "tool": "search_value", "answer": {"t": "0.89"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the tolerance factor (t) of materials with electron affinity of element A (EAa) = {} eV and element B's electron affinity (EAb) = {} eV."}
{"question": "Identify the material ID corresponding to a source identifier of mp-28919 and total magnetization of 1e-06.", "refer_dataset": "table67", "column names": ["source_id", "total_magnetization", "material_id"], "condition_column": ["source_id", "total_magnetization"], "answer_column": ["material_id"], "condition": {"source_id": "mp-28919", "total_magnetization": "1e-06"}, "tool": "search_value", "answer": {"material_id": "2dm-14"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the material ID corresponding to a source identifier of {} and total magnetization of {}."}
{"question": "What desorption temperature (DT) corresponds to the molecular formula LaCrO3?", "refer_dataset": "table11", "column names": ["Molecular formulas", "DT (℃)"], "condition_column": ["Molecular formulas"], "answer_column": ["DT (℃)"], "condition": {"Molecular formulas": "LaCrO3"}, "tool": "search_value", "answer": {"DT (℃)": "100"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What desorption temperature (DT) corresponds to the molecular formula {}?"}
{"question": "Which element occupies the primary B site position in the compound Ba2Ho6Fe8O24?", "refer_dataset": "table35", "column names": ["Material Composition", "B site #1"], "condition_column": ["Material Composition"], "answer_column": ["B site #1"], "condition": {"Material Composition": "Ba2Ho6Fe8O24"}, "tool": "search_value", "answer": {"B site #1": "Fe"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which element occupies the primary B site position in the compound {}?"}
{"question": "Determine the mean Bertz complexity index for the molecule with SMILES BrCCCCBr.", "refer_dataset": "table41", "column names": ["osda smiles", "bertz_ct_mean_0"], "condition_column": ["osda smiles"], "answer_column": ["bertz_ct_mean_0"], "condition": {"osda smiles": "BrCCCCBr"}, "tool": "search_value", "answer": {"bertz_ct_mean_0": "188.3616189347681"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the mean Bertz complexity index for the molecule with SMILES {}."}
{"question": "What is the lattice parameter a for the COD CIF file 1000001?", "refer_dataset": "table38", "column names": ["file", "a"], "condition_column": ["file"], "answer_column": ["a"], "condition": {"file": "1000001"}, "tool": "search_value", "answer": {"a": "48.48"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the lattice parameter a for the COD CIF file {}?"}
{"question": "What is the power (W) for the dataset labeled as reference [S5]?", "refer_dataset": "table4", "column names": ["Ref", "Power(W)"], "condition_column": ["Ref"], "answer_column": ["Power(W)"], "condition": {"Ref": "[S5]"}, "tool": "search_value", "answer": {"Power(W)": "450.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the power (W) for the dataset labeled as reference {}?"}
{"question": "What is the Fermi energy level of the surface structure Surface-JVASP-66053_miller_1_1_0_thickness_16_VASP_PBE_noDP?", "refer_dataset": "table66", "column names": ["name", "efermi"], "condition_column": ["name"], "answer_column": ["efermi"], "condition": {"name": "Surface-JVASP-66053_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"efermi": "0.5073935"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Fermi energy level of the surface structure {}?"}
{"question": "Find the heat capacity (Cv) for the material with identifier 4.0.", "refer_dataset": "table60", "column names": ["id", "Cv"], "condition_column": ["id"], "answer_column": ["Cv"], "condition": {"id": "4.0"}, "tool": "search_value", "answer": {"Cv": "6.277999877929688"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the heat capacity (Cv) for the material with identifier {}."}
{"question": "Determine the optimal solvent percentage for Ca ion 65 mM, CO3 ion 136 mM, and stirring speed 0 rpm.", "refer_dataset": "table42", "column names": ["Ca ion, mM", "CO3 ion, mM", "Stirring, rpm", "Solvent, % vol."], "condition_column": ["Ca ion, mM", "CO3 ion, mM", "Stirring, rpm"], "answer_column": ["Solvent, % vol."], "condition": {"Ca ion, mM": "65", "CO3 ion, mM": "136", "Stirring, rpm": "0"}, "tool": "search_value", "answer": {"Solvent, % vol.": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the optimal solvent percentage for Ca ion {} mM, CO3 ion {} mM, and stirring speed {} rpm."}
{"question": "Which secondary cation occupies the A2 site in the perovskite material Sr2Sb2O7?", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "A2 site"], "condition_column": ["Full Name of Perovskite"], "answer_column": ["A2 site"], "condition": {"Full Name of Perovskite": "Sr2Sb2O7"}, "tool": "search_value", "answer": {"A2 site": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which secondary cation occupies the A2 site in the perovskite material {}?"}
{"question": "Find the count of E atoms if element E has an atomic number of 7, the indirect bandgap is 0.0 eV, and the volume is 76.2355842565 ų.", "refer_dataset": "table22", "column names": ["E_AtomN", "Indirect_Band", "Volume", "En"], "condition_column": ["E_AtomN", "Indirect_Band", "Volume"], "answer_column": ["En"], "condition": {"E_AtomN": "7", "Indirect_Band": "0.0", "Volume": "76.2355842565"}, "tool": "search_value", "answer": {"En": "1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the count of E atoms if element E has an atomic number of {}, the indirect bandgap is {} eV, and the volume is {} ų."}
{"question": "Determine the heat capacity (Cv) for a material with HOMO energy -10.549854278564451, LUMO energy 3.186453342437744, and identifier 0.0.", "refer_dataset": "table60", "column names": ["homo", "lumo", "id", "Cv"], "condition_column": ["homo", "lumo", "id"], "answer_column": ["Cv"], "condition": {"homo": "-10.549854278564451", "lumo": "3.186453342437744", "id": "0.0"}, "tool": "search_value", "answer": {"Cv": "6.468999862670898"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the heat capacity (Cv) for a material with HOMO energy {}, LUMO energy {}, and identifier {}."}
{"question": "What is the melting temperature of component A (A_Tm) for the material AgTa0.8Nb0.2O3?", "refer_dataset": "table2", "column names": ["Materials", "A_Tm"], "condition_column": ["Materials"], "answer_column": ["A_Tm"], "condition": {"Materials": "AgTa0.8Nb0.2O3"}, "tool": "search_value", "answer": {"A_Tm": "961.78"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the melting temperature of component A (A_Tm) for the material {}?"}
{"question": "What is the bulk energy value for the material with job identifier JVASP-14604?", "refer_dataset": "table68", "column names": ["jid", "bulk_energy"], "condition_column": ["jid"], "answer_column": ["bulk_energy"], "condition": {"jid": "JVASP-14604"}, "tool": "search_value", "answer": {"bulk_energy": "5.1992"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk energy value for the material with job identifier {}?"}
{"question": "Reveal the bulk modulus (Kv) of the material with formula TiBr3 and functional OptB88vdW?", "refer_dataset": "table48", "column names": ["formula", "func", "bulk_modulus_kv"], "condition_column": ["formula", "func"], "answer_column": ["bulk_modulus_kv"], "condition": {"formula": "TiBr3", "func": "OptB88vdW"}, "tool": "search_value", "answer": {"bulk_modulus_kv": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Reveal the bulk modulus (Kv) of the material with formula {} and functional {}?"}
{"question": "Determine the defective structure energy for the job ID JVASP-14812 and its corresponding Wyckoff position a.", "refer_dataset": "table68", "column names": ["jid", "wycoff", "defective_energy"], "condition_column": ["jid", "wycoff"], "answer_column": ["defective_energy"], "condition": {"jid": "JVASP-14812", "wycoff": "a"}, "tool": "search_value", "answer": {"defective_energy": "-69.48613819"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the defective structure energy for the job ID {} and its corresponding Wyckoff position {}."}
{"question": "Which perovskite compound has a value of 0.040449 in feature 30 and a similarity score of 0.314692?", "refer_dataset": "table14", "column names": ["30", "similarity", "Perovskite"], "condition_column": ["30", "similarity"], "answer_column": ["Perovskite"], "condition": {"30": "0.040449", "similarity": "0.314692"}, "tool": "search_value", "answer": {"Perovskite": "LaNiO3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which perovskite compound has a value of {} in feature 30 and a similarity score of {}?"}
{"question": "Find the Bader atomic volumes for the material with ID ea53fb2fb3ae7ee5-desc.", "refer_dataset": "table43", "column names": ["id", "bader_atomic_volumes"], "condition_column": ["id"], "answer_column": ["bader_atomic_volumes"], "condition": {"id": "ea53fb2fb3ae7ee5-desc"}, "tool": "search_value", "answer": {"bader_atomic_volumes": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Bader atomic volumes for the material with ID {}."}
{"question": "Identify the LUMO energy value associated with a HOMO energy level of -7.657284259796143.", "refer_dataset": "table60", "column names": ["homo", "lumo"], "condition_column": ["homo"], "answer_column": ["lumo"], "condition": {"homo": "-7.657284259796143"}, "tool": "search_value", "answer": {"lumo": "0.2013642638921737"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the LUMO energy value associated with a HOMO energy level of {}."}
{"question": "What is the secondary metal component (M2) for catalysts with primary metal atom count (M1_atom_number) of 25, support identifier (Support_ID) 4, and CO2 selectivity (CO2s) of 12.26?", "refer_dataset": "table17", "column names": ["M1_atom_number", "Support_ID", "CO2s", "M2"], "condition_column": ["M1_atom_number", "Support_ID", "CO2s"], "answer_column": ["M2"], "condition": {"M1_atom_number": "25", "Support_ID": "4", "CO2s": "12.26"}, "tool": "search_value", "answer": {"M2": "Na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary metal component (M2) for catalysts with primary metal atom count (M1_atom_number) of {}, support identifier (Support_ID) {}, and CO2 selectivity (CO2s) of {}?"}
{"question": "Determine the total calculated energy of the structure in the source folder '/rk2/knc6/UniveralTB/julia_data/Mg_F_kspace/POSCAR_irn2_38_vnscf_vol_2'?", "refer_dataset": "table59", "column names": ["source_folder", "final_energy"], "condition_column": ["source_folder"], "answer_column": ["final_energy"], "condition": {"source_folder": "'/rk2/knc6/UniveralTB/julia_data/Mg_F_kspace/POSCAR_irn2_38_vnscf_vol_2'"}, "tool": "search_value", "answer": {"final_energy": "-111.2563851318964"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the total calculated energy of the structure in the source folder {}?"}
{"question": "What is the nanoparticle dose (g/L) applied for n-Nitrosodimethylamine under pH 9.0?", "refer_dataset": "table9", "column names": ["OC", "pH", "D, g/L"], "condition_column": ["OC", "pH"], "answer_column": ["D, g/L"], "condition": {"OC": "n-Nitrosodimethylamine", "pH": "9.0"}, "tool": "search_value", "answer": {"D, g/L": "0.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the nanoparticle dose (g/L) applied for {} under pH {}?"}
{"question": "Report the delta_e value for materials exhibiting a band gap of 4.113.", "refer_dataset": "table57", "column names": ["_oqmd_band_gap", "_oqmd_delta_e"], "condition_column": ["_oqmd_band_gap"], "answer_column": ["_oqmd_delta_e"], "condition": {"_oqmd_band_gap": "4.113"}, "tool": "search_value", "answer": {"_oqmd_delta_e": "-1.58308592371416"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the delta_e value for materials exhibiting a band gap of {}."}
{"question": "Find the internal energy (U) for a sample that has a statistical correlation coefficient (R²) of -3.85030878378962 and a heat capacity (Cv) of -5.29133620516503.", "refer_dataset": "table61", "column names": ["R2", "Cv", "U"], "condition_column": ["R2", "Cv"], "answer_column": ["U"], "condition": {"R2": "-3.85030878378962", "Cv": "-5.29133620516503"}, "tool": "search_value", "answer": {"U": "4.53971706400129"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the internal energy (U) for a sample that has a statistical correlation coefficient (R²) of {} and a heat capacity (Cv) of {}."}
{"question": "What is the elastic anisotropy value for the material identified as As by formula?", "refer_dataset": "table56", "column names": ["formula", "elastic anisotropy"], "condition_column": ["formula"], "answer_column": ["elastic anisotropy"], "condition": {"formula": "As"}, "tool": "search_value", "answer": {"elastic anisotropy": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the elastic anisotropy value for the material identified as {} by formula?"}
{"question": "Retrieve the formula_energy for the chemical formula CaO4W.", "refer_dataset": "table64", "column names": ["formula", "formula_energy"], "condition_column": ["formula"], "answer_column": ["formula_energy"], "condition": {"formula": "CaO4W"}, "tool": "search_value", "answer": {"formula_energy": "-2.84179646508"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the formula_energy for the chemical formula {}."}
{"question": "Find the Zeolite phase identifier (Zeo2) when the Silicon molar ratio (Si) is BEC, Germanium molar ratio (Ge) is 1, and Aluminum molar ratio (Al) is 2.333.", "refer_dataset": "table40", "column names": ["Zeo2", "Si", "Ge", "Al"], "condition_column": ["Zeo2", "Si", "Ge"], "answer_column": ["Al"], "condition": {"Zeo2": "BEC", "Si": "1", "Ge": "2.333"}, "tool": "search_value", "answer": {"Al": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Zeolite phase identifier (Zeo2) when the Silicon molar ratio (Si) is {}, Germanium molar ratio (Ge) is {}, and Aluminum molar ratio (Al) is {}."}
{"question": "Find the surface valence band maximum (surf_vbm) for the material CdO.", "refer_dataset": "table66", "column names": ["formula", "surf_vbm"], "condition_column": ["formula"], "answer_column": ["surf_vbm"], "condition": {"formula": "CdO"}, "tool": "search_value", "answer": {"surf_vbm": "-1.1946"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the surface valence band maximum (surf_vbm) for the material {}."}
{"question": "What is the primary vibrational frequency (omega1) for the molecule denoted by C (SMILES)?", "refer_dataset": "table61", "column names": ["SMILES", "omega1"], "condition_column": ["SMILES"], "answer_column": ["omega1"], "condition": {"SMILES": "C"}, "tool": "search_value", "answer": {"omega1": "-1.3203823354756"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the primary vibrational frequency (omega1) for the molecule denoted by {} (SMILES)?"}
{"question": "Determine the electron affinity (EAa) of element A for the material La0.85Sr0.15FeO3.", "refer_dataset": "table3", "column names": ["Materials", "EAa"], "condition_column": ["Materials"], "answer_column": ["EAa"], "condition": {"Materials": "La0.85Sr0.15FeO3"}, "tool": "search_value", "answer": {"EAa": "41.505"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the electron affinity (EAa) of element A for the material {}."}
{"question": "Find the formula for the superconducting material assigned ID 7 that achieves a Tc of 0.0.", "refer_dataset": "table65", "column names": ["id", "Tc", "formula"], "condition_column": ["id", "Tc"], "answer_column": ["formula"], "condition": {"id": "7", "Tc": "0.0"}, "tool": "search_value", "answer": {"formula": "Re0.1W0.9"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the formula for the superconducting material assigned ID {} that achieves a Tc of {}."}
{"question": "Identify the polymer type associated with CO3 ion 260 mM, surfactant 0.0%, and synthesis time 28 min 19 sec.", "refer_dataset": "table42", "column names": ["CO3 ion, mM", "Surfactant, % wt.", "Synthesis time", "Polymer type"], "condition_column": ["CO3 ion, mM", "Surfactant, % wt.", "Synthesis time"], "answer_column": ["Polymer type"], "condition": {"CO3 ion, mM": "260", "Surfactant, % wt.": "0.0", "Synthesis time": "28 min 19 sec"}, "tool": "search_value", "answer": {"Polymer type": "PAA"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the polymer type associated with CO3 ion {} mM, surfactant {}%, and synthesis time {}."}
{"question": "What is the partial pressure of methane (Pch4) at an oxygen partial pressure (Po2) of 0.82?", "refer_dataset": "table28", "column names": ["Pch4", "Po2"], "condition_column": ["Pch4"], "answer_column": ["Po2"], "condition": {"Pch4": "0.82"}, "tool": "search_value", "answer": {"Po2": "0.18"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the partial pressure of methane (Pch4) at an oxygen partial pressure (Po2) of {}?"}
{"question": "Calculate the fitted band gap (egap_fit) for a material with AFLOWLIB UID 1d245fa793bd7c15 and Bader net charges of [0.7379, 1.6849, -0.8076, -0.8076, -0.8076].", "refer_dataset": "table43", "column names": ["auid", "bader_net_charges", "egap_fit"], "condition_column": ["auid", "bader_net_charges"], "answer_column": ["egap_fit"], "condition": {"auid": "1d245fa793bd7c15", "bader_net_charges": "[0.7379, 1.6849, -0.8076, -0.8076, -0.8076]"}, "tool": "search_value", "answer": {"egap_fit": "4.65842"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the fitted band gap (egap_fit) for a material with AFLOWLIB UID {} and Bader net charges of {}."}
{"question": "What is the Ruthenium (Ru) percentage in the alloy with Platinum (Pt) at 25.2%, Rhodium (Rh) at 9.4%, and Onset potential of 0.49098 V?", "refer_dataset": "table15", "column names": ["Pt", "Rh", "Onset", "Ru"], "condition_column": ["Pt", "Rh", "Onset"], "answer_column": ["Ru"], "condition": {"Pt": "25.2", "Rh": "9.4", "Onset": "0.49098"}, "tool": "search_value", "answer": {"Ru": "45.7"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Ruthenium (Ru) percentage in the alloy with Platinum (Pt) at {}%, Rhodium (Rh) at {}%, and Onset potential of {} V?"}
{"question": "What La concentration occurs when Y is 0.0 and J.uAcm2_0.80_fromCV is 970.8121?", "refer_dataset": "table16", "column names": ["Y", "J.uAcm2_0.80_fromCV", "La"], "condition_column": ["Y", "J.uAcm2_0.80_fromCV"], "answer_column": ["La"], "condition": {"Y": "0.0", "J.uAcm2_0.80_fromCV": "970.8121"}, "tool": "search_value", "answer": {"La": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What La concentration occurs when Y is {} and J.uAcm2_0.80_fromCV is {}?"}
{"question": "At what process temperature (°C) does a catalyst with M1 as K, support material Al, and methane partial pressure (Pch4) of 0.91 yield the highest conversion?", "refer_dataset": "table28", "column names": ["M1", "Support", "Pch4", "Temperature"], "condition_column": ["M1", "Support", "Pch4"], "answer_column": ["Temperature"], "condition": {"M1": "K", "Support": "Al", "Pch4": "0.91"}, "tool": "search_value", "answer": {"Temperature": "791"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what process temperature (°C) does a catalyst with M1 as {}, support material {}, and methane partial pressure (Pch4) of {} yield the highest conversion?"}
{"question": "Find the number of atoms in the structure with a space group symbol of P-6m2, indirect band gap of 5.326, and source folder '/rk2/knc6/UniveralTB/julia_data/Mg_F_kspace/POSCAR_irn2_38_vnscf_vol_2'?", "refer_dataset": "table59", "column names": ["spacegroup_symbol", "indir_gap", "source_folder", "natoms"], "condition_column": ["spacegroup_symbol", "indir_gap", "source_folder"], "answer_column": ["natoms"], "condition": {"spacegroup_symbol": "P-6m2", "indir_gap": "5.326", "source_folder": "'/rk2/knc6/UniveralTB/julia_data/Mg_F_kspace/POSCAR_irn2_38_vnscf_vol_2'"}, "tool": "search_value", "answer": {"natoms": "3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the number of atoms in the structure with a space group symbol of {}, indirect band gap of {}, and source folder {}?"}
{"question": "Given a mean gyration radius (gyration_radius_mean_0) of 5.141061696895503, what is the corresponding SMILES?", "refer_dataset": "table41", "column names": ["gyration_radius_mean_0", "osda smiles"], "condition_column": ["gyration_radius_mean_0"], "answer_column": ["osda smiles"], "condition": {"gyration_radius_mean_0": "5.141061696895503"}, "tool": "search_value", "answer": {"osda smiles": "C(CCC[N+]12CCC(CC1)CC2)CC[N+]12CCC(CC1)CC2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a mean gyration radius (gyration_radius_mean_0) of {}, what is the corresponding SMILES?"}
{"question": "If Fe is 0.1 and J.uAcm2_0.63_secondCA is 4024.771, what is the Mg concentration?", "refer_dataset": "table16", "column names": ["Fe", "J.uAcm2_0.63_secondCA", "Mg"], "condition_column": ["Fe", "J.uAcm2_0.63_secondCA"], "answer_column": ["Mg"], "condition": {"Fe": "0.1", "J.uAcm2_0.63_secondCA": "4024.771"}, "tool": "search_value", "answer": {"Mg": "0.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If Fe is {} and J.uAcm2_0.63_secondCA is {}, what is the Mg concentration?"}
{"question": "Identify the Methane adsorption energy (CH4Ead) for the material with Composition BeNe.", "refer_dataset": "table24", "column names": ["Composition", "CH4Ead"], "condition_column": ["Composition"], "answer_column": ["CH4Ead"], "condition": {"Composition": "BeNe"}, "tool": "search_value", "answer": {"CH4Ead": "2.544544062"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the Methane adsorption energy (CH4Ead) for the material with Composition {}."}
{"question": "If Fe is 0.1 and J.uAcm2_0.63_secondCA is 4398.848, what is the Mg concentration?", "refer_dataset": "table16", "column names": ["Fe", "J.uAcm2_0.63_secondCA", "Mg"], "condition_column": ["Fe", "J.uAcm2_0.63_secondCA"], "answer_column": ["Mg"], "condition": {"Fe": "0.1", "J.uAcm2_0.63_secondCA": "4398.848"}, "tool": "search_value", "answer": {"Mg": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If Fe is {} and J.uAcm2_0.63_secondCA is {}, what is the Mg concentration?"}
{"question": "What is the argon partial pressure (Par) for a process temperature of 831°C?", "refer_dataset": "table28", "column names": ["Temperature", "Par"], "condition_column": ["Temperature"], "answer_column": ["Par"], "condition": {"Temperature": "831"}, "tool": "search_value", "answer": {"Par": "0.1"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the argon partial pressure (Par) for a process temperature of {}°C?"}
{"question": "At what calcination temperature (CT) was preparation method 1 applied to achieve a desorption temperature of 110℃?", "refer_dataset": "table11", "column names": ["PM", "DT (℃)", "CT (℃)"], "condition_column": ["PM", "DT (℃)"], "answer_column": ["CT (℃)"], "condition": {"PM": "1", "DT (℃)": "110"}, "tool": "search_value", "answer": {"CT (℃)": "750"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what calcination temperature (CT) was preparation method {} applied to achieve a desorption temperature of {}℃?"}
{"question": "At what process temperature (°C) does a catalyst with M1 as Na, support material Mn, and methane partial pressure (Pch4) of 0.41 yield the highest conversion?", "refer_dataset": "table28", "column names": ["M1", "Support", "Pch4", "Temperature"], "condition_column": ["M1", "Support", "Pch4"], "answer_column": ["Temperature"], "condition": {"M1": "Na", "Support": "Mn", "Pch4": "0.41"}, "tool": "search_value", "answer": {"Temperature": "845"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what process temperature (°C) does a catalyst with M1 as {}, support material {}, and methane partial pressure (Pch4) of {} yield the highest conversion?"}
{"question": "Report the enthalpy of fusion (ΔfusHa) for materials with EAa = 14.0 eV, ρb = 4.68 g/cm³, and Ra/Rb = 2.013.", "refer_dataset": "table3", "column names": ["EAa", "ρb", "Ra/Rb", "ΔfusHa"], "condition_column": ["EAa", "ρb", "Ra/Rb"], "answer_column": ["ΔfusHa"], "condition": {"EAa": "14.0", "ρb": "4.68", "Ra/Rb": "2.013"}, "tool": "search_value", "answer": {"ΔfusHa": "51.8"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the enthalpy of fusion (ΔfusHa) for materials with EAa = {} eV, ρb = {} g/cm³, and Ra/Rb = {}."}
{"question": "Which support material is used for the catalyst containing the metal component Ir?", "refer_dataset": "table29", "column names": ["MetalPart", "Support"], "condition_column": ["MetalPart"], "answer_column": ["Support"], "condition": {"MetalPart": "Ir"}, "tool": "search_value", "answer": {"Support": "Ni"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which support material is used for the catalyst containing the metal component {}?"}
{"question": "Which elastic tensor is recorded for the material with job ID JVASP-14441?", "refer_dataset": "table48", "column names": ["jid", "elastic_tensor"], "condition_column": ["jid"], "answer_column": ["elastic_tensor"], "condition": {"jid": "JVASP-14441"}, "tool": "search_value", "answer": {"elastic_tensor": "[[-0.0, 0.1980659999999972, 0.6090959999999939, 0.34004199999999685, 0.9290120000000002, 0.538107999999994], [-0.0, 0.5889700000000033, 0.1980659999999972, 0.6599580000000032, 0.8580240000000003, 0.269053999999997], [-0.0, -0.0, 0.0, 0.18539400000000228, 0.18539400000000228, 0.18539400000000228], [0.538107999999994, 0.34004199999999685, 0.9290120000000002, 0.1980659999999972, 0.6090959999999939, -0.0], [0.8580240000000003, 0.269053999999997, 0.6599580000000032, 0.1980659999999972, 0.0, 0.5889700000000033], [0.18539400000000228, 0.18539400000000228, 0.18539400000000228, 0.0, -0.0, -0.0]]"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which elastic tensor is recorded for the material with job ID {}?"}
{"question": "Determine the unique material ID for the compound with source identifier mvc-12841 and a total energy per atom of -6.7996637133333335.", "refer_dataset": "table67", "column names": ["source_id", "energy_per_atom", "material_id"], "condition_column": ["source_id", "energy_per_atom"], "answer_column": ["material_id"], "condition": {"source_id": "mvc-12841", "energy_per_atom": "-6.7996637133333335"}, "tool": "search_value", "answer": {"material_id": "2dm-6367"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the unique material ID for the compound with source identifier {} and a total energy per atom of {}."}
{"question": "What is the Zeolite phase identifier (Zeo2) if the Aluminum molar ratio (Al) is BSV?", "refer_dataset": "table40", "column names": ["Zeo2", "Al"], "condition_column": ["Zeo2"], "answer_column": ["Al"], "condition": {"Zeo2": "BSV"}, "tool": "search_value", "answer": {"Al": "1.12"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Zeolite phase identifier (Zeo2) if the Aluminum molar ratio (Al) is {}?"}
{"question": "Calculate the ethylene yield for a catalyst with M4 element Mn, support BaO, and CO yield 0.8%?", "refer_dataset": "table26", "column names": ["M4", "Support", "CO yield (%)", "C2H4 yield (%)"], "condition_column": ["M4", "Support", "CO yield (%)"], "answer_column": ["C2H4 yield (%)"], "condition": {"M4": "Mn", "Support": "BaO", "CO yield (%)": "0.8"}, "tool": "search_value", "answer": {"C2H4 yield (%)": "3.2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the ethylene yield for a catalyst with M4 element {}, support {}, and CO yield {}%?"}
{"question": "What is the OER warning indicator status for the article with DOI 10.1016/j.mtener.2019.05.001?", "refer_dataset": "table13", "column names": ["DOI", "Warning_OER.1"], "condition_column": ["DOI"], "answer_column": ["Warning_OER.1"], "condition": {"DOI": "10.1016/j.mtener.2019.05.001"}, "tool": "search_value", "answer": {"Warning_OER.1": "0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the OER warning indicator status for the article with DOI {}?"}
{"question": "Find the value of feature 40 for a perovskite with similarity 0.288529 and feature 10 set to 0.01974.", "refer_dataset": "table14", "column names": ["similarity", "10", "40"], "condition_column": ["similarity", "10"], "answer_column": ["40"], "condition": {"similarity": "0.288529", "10": "0.01974"}, "tool": "search_value", "answer": {"40": "0.015234"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the value of feature 40 for a perovskite with similarity {} and feature 10 set to {}."}
{"question": "For the optimized molecular structure CC, what is the HOMO-LUMO energy gap (gap)?", "refer_dataset": "table61", "column names": ["SMILES_relaxed", "gap"], "condition_column": ["SMILES_relaxed"], "answer_column": ["gap"], "condition": {"SMILES_relaxed": "CC"}, "tool": "search_value", "answer": {"gap": "4.0378835477359"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the optimized molecular structure {}, what is the HOMO-LUMO energy gap (gap)?"}
{"question": "What is the Framework Density 1 parameter (FD1) if the Molar Ratio 1 (MR1) is 15.1, Molar Ratio 2 (MR2) is 12.0, and Reaction duration (Time) is 6.0?", "refer_dataset": "table40", "column names": ["FD1", "MR1", "MR2", "Time"], "condition_column": ["FD1", "MR1", "MR2"], "answer_column": ["Time"], "condition": {"FD1": "15.1", "MR1": "12.0", "MR2": "6.0"}, "tool": "search_value", "answer": {"Time": "48.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Framework Density 1 parameter (FD1) if the Molar Ratio 1 (MR1) is {}, Molar Ratio 2 (MR2) is {}, and Reaction duration (Time) is {}?"}
{"question": "Which primary element B is present in compounds with a molar ratio of A as 0.301?", "refer_dataset": "table4", "column names": ["A mole", "B"], "condition_column": ["A mole"], "answer_column": ["B"], "condition": {"A mole": "0.301"}, "tool": "search_value", "answer": {"B": "In"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which primary element B is present in compounds with a molar ratio of A as {}?"}
{"question": "What is the HOMO energy for the molecule represented by the SMILES notation CC?", "refer_dataset": "table61", "column names": ["SMILES", "HOMO"], "condition_column": ["SMILES"], "answer_column": ["HOMO"], "condition": {"SMILES": "CC"}, "tool": "search_value", "answer": {"HOMO": "-4.47449996619039"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HOMO energy for the molecule represented by the SMILES notation {}?"}
{"question": "What is the adsorbed hydrogen (H*) identifier for species CH3O*?", "refer_dataset": "table18", "column names": ["a", "a_key"], "condition_column": ["a"], "answer_column": ["a_key"], "condition": {"a": "CH3O*"}, "tool": "search_value", "answer": {"a_key": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the adsorbed hydrogen (H*) identifier for species {}?"}
{"question": "Determine the shear modulus resistance of material U2IrC2:", "refer_dataset": "table56", "column names": ["formula", "shear modulus"], "condition_column": ["formula"], "answer_column": ["shear modulus"], "condition": {"formula": "U2IrC2"}, "tool": "search_value", "answer": {"shear modulus": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the shear modulus resistance of material {}:"}
{"question": "Determine the formation energy (eV/atom) of the compound with material composition Ba2La6Fe8O24.", "refer_dataset": "table35", "column names": ["Material Composition", "formation_energy (eV/atom)"], "condition_column": ["Material Composition"], "answer_column": ["formation_energy (eV/atom)"], "condition": {"Material Composition": "Ba2La6Fe8O24"}, "tool": "search_value", "answer": {"formation_energy (eV/atom)": "-2.00351270133"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the formation energy (eV/atom) of the compound with material composition {}."}
{"question": "What is the HM symbol for the compound with the abbreviation DyZn5?", "refer_dataset": "table31", "column names": ["1", "9"], "condition_column": ["1"], "answer_column": ["9"], "condition": {"1": "DyZn5"}, "tool": "search_value", "answer": {"9": "P6/mmm"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HM symbol for the compound with the abbreviation {}?"}
{"question": "Determine the support material (Support) for a catalyst with primary metal atom count (M1_atom_number) of 25, secondary metal (M2) of Na, and CO2 yield (CO2y) of 8.51.", "refer_dataset": "table17", "column names": ["M1_atom_number", "M2", "CO2y", "Support"], "condition_column": ["M1_atom_number", "M2", "CO2y"], "answer_column": ["Support"], "condition": {"M1_atom_number": "25", "M2": "Na", "CO2y": "8.51"}, "tool": "search_value", "answer": {"Support": "BN"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the support material (Support) for a catalyst with primary metal atom count (M1_atom_number) of {}, secondary metal (M2) of {}, and CO2 yield (CO2y) of {}."}
{"question": "What is the elastic tensor for a material with space group symbol Pnma and elemental search tags -Mn-Si-Tb?", "refer_dataset": "table47", "column names": ["spg_symbol", "search", "elastic_tensor"], "condition_column": ["spg_symbol", "search"], "answer_column": ["elastic_tensor"], "condition": {"spg_symbol": "Pnma", "search": "-Mn-Si-Tb"}, "tool": "search_value", "answer": {"elastic_tensor": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the elastic tensor for a material with space group symbol {} and elemental search tags {}?"}
{"question": "Retrieve the chemical composition formula for the material with ID 7 and a recorded Tc of 0.0.", "refer_dataset": "table65", "column names": ["id", "Tc", "formula"], "condition_column": ["id", "Tc"], "answer_column": ["formula"], "condition": {"id": "7", "Tc": "0.0"}, "tool": "search_value", "answer": {"formula": "Re0.1W0.9"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the chemical composition formula for the material with ID {} and a recorded Tc of {}."}
{"question": "Provide the enthalpy per atom for the material with band gap (egap) of 2.7785.", "refer_dataset": "table43", "column names": ["egap", "enthalpy_atom"], "condition_column": ["egap"], "answer_column": ["enthalpy_atom"], "condition": {"egap": "2.7785"}, "tool": "search_value", "answer": {"enthalpy_atom": "-4.53989"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the enthalpy per atom for the material with band gap (egap) of {}."}
{"question": "What is the duration of cycles for a perovskite where the primary A site is Ag, the secondary A2 site is Zn, and the cycle2 performance is 3120?", "refer_dataset": "table5", "column names": ["A site", "A2 site", "cycle2", "Duration of cycles (h)"], "condition_column": ["A site", "A2 site", "cycle2"], "answer_column": ["Duration of cycles (h)"], "condition": {"A site": "Ag", "A2 site": "Zn", "cycle2": "3120"}, "tool": "search_value", "answer": {"Duration of cycles (h)": "4.8"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the duration of cycles for a perovskite where the primary A site is {}, the secondary A2 site is {}, and the cycle2 performance is {}?"}
{"question": "Identify the total calculated energy for the compound stored in folder '/rk2/knc6/UniveralTB/julia_data/Mg_F_kspace/POSCAR_irn2_38_vnscf_vol_1', having 3 atoms and an indirect band gap of 6.082?", "refer_dataset": "table59", "column names": ["source_folder", "natoms", "indir_gap", "final_energy"], "condition_column": ["source_folder", "natoms", "indir_gap"], "answer_column": ["final_energy"], "condition": {"source_folder": "'/rk2/knc6/UniveralTB/julia_data/Mg_F_kspace/POSCAR_irn2_38_vnscf_vol_1'", "natoms": "3", "indir_gap": "6.082"}, "tool": "search_value", "answer": {"final_energy": "-111.2463901589299"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the total calculated energy for the compound stored in folder {}, having {} atoms and an indirect band gap of {}?"}
{"question": "Find the Platinum (Pt) content in the HEA alloy where Gold (Au) is 35.6%, and Onset potential is 0.470744 V.", "refer_dataset": "table15", "column names": ["Au", "Onset", "Pt"], "condition_column": ["Au", "Onset"], "answer_column": ["Pt"], "condition": {"Au": "35.6", "Onset": "0.470744"}, "tool": "search_value", "answer": {"Pt": "2.6"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Platinum (Pt) content in the HEA alloy where Gold (Au) is {}%, and Onset potential is {} V."}
{"question": "Find the band gap of a material with a stability of 0.51453497060345 and delta_e of 0.346445287061782.", "refer_dataset": "table57", "column names": ["_oqmd_stability", "_oqmd_delta_e", "_oqmd_band_gap"], "condition_column": ["_oqmd_stability", "_oqmd_delta_e"], "answer_column": ["_oqmd_band_gap"], "condition": {"_oqmd_stability": "0.51453497060345", "_oqmd_delta_e": "0.346445287061782"}, "tool": "search_value", "answer": {"_oqmd_band_gap": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the band gap of a material with a stability of {} and delta_e of {}."}
{"question": "For the perovskite compound HTiTaO5, what is the cycle5 performance when the primary A site is H and the primary B site is Ti?", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "A site", "B site", "cycle5"], "condition_column": ["Full Name of Perovskite", "A site", "B site"], "answer_column": ["cycle5"], "condition": {"Full Name of Perovskite": "HTiTaO5", "A site": "H", "B site": "Ti"}, "tool": "search_value", "answer": {"cycle5": "-"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the perovskite compound {}, what is the cycle5 performance when the primary A site is {} and the primary B site is {}?"}
{"question": "Report the tertiary B site element for the compound Ba2Bi2Pr4Co8O24.", "refer_dataset": "table35", "column names": ["Material Composition", "B site #3"], "condition_column": ["Material Composition"], "answer_column": ["B site #3"], "condition": {"Material Composition": "Ba2Bi2Pr4Co8O24"}, "tool": "search_value", "answer": {"B site #3": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the tertiary B site element for the compound {}."}
{"question": "Under a temperature of 725.0°C, what is the M1 element if the support is La2O3 and CO2 yield is 5.5%?", "refer_dataset": "table26", "column names": ["Temp (oC)", "Support", "CO2 yield (%)", "M1"], "condition_column": ["Temp (oC)", "Support", "CO2 yield (%)"], "answer_column": ["M1"], "condition": {"Temp (oC)": "725.0", "Support": "La2O3", "CO2 yield (%)": "5.5"}, "tool": "search_value", "answer": {"M1": "Mg"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Under a temperature of {}°C, what is the M1 element if the support is {} and CO2 yield is {}%?"}
{"question": "What is the unique identifier for the material composed of Pb0.5Ca1Sr2Y0.5Cu2O6.97 and exhibiting a Tc of 55.0?", "refer_dataset": "table65", "column names": ["formula", "Tc", "id"], "condition_column": ["formula", "Tc"], "answer_column": ["id"], "condition": {"formula": "Pb0.5Ca1Sr2Y0.5Cu2O6.97", "Tc": "55.0"}, "tool": "search_value", "answer": {"id": "14511"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unique identifier for the material composed of {} and exhibiting a Tc of {}?"}
{"question": "What overpotential voltage is required for a Carbon 2D  structure catalyst in the Carbon-based  material family under 1.0 chemical environment conditions?", "refer_dataset": "table12", "column names": ["Structure", "Material Family", "Chemical Environment 1=electrolyte 2=pressure", "overpotential V"], "condition_column": ["Structure", "Material Family", "Chemical Environment 1=electrolyte 2=pressure"], "answer_column": ["overpotential V"], "condition": {"Structure": "Carbon 2D ", "Material Family": "Carbon-based ", "Chemical Environment 1=electrolyte 2=pressure": "1.0"}, "tool": "search_value", "answer": {"overpotential V": "0.56"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What overpotential voltage is required for a {} structure catalyst in the {} material family under {} chemical environment conditions?"}
{"question": "What reaction conditions are applied to catalyst 16,1%NiPt(1:3)/Al2O3 and substrates CO2,H2 to achieve reaction type methanation?", "refer_dataset": "table30", "column names": ["Catalyst", "Substrates", "ReactionType", "Reaction"], "condition_column": ["Catalyst", "Substrates", "ReactionType"], "answer_column": ["Reaction"], "condition": {"Catalyst": "16,1%NiPt(1:3)/Al2O3", "Substrates": "CO2,H2", "ReactionType": "methanation"}, "tool": "search_value", "answer": {"Reaction": "{'Reaction': 'CO2methanation', 'Temperature': '250oC', 'Pressure': '1atm', 'FlowGasComposition': '10%CO2,40%H2,5%N2,45%He', 'GasFlowrate': '50mL/min', 'GHSV': 'nodata', 'Catalystmass': '100mg', 'TOF': 'nodata', 'Conversion': 'nodata', 'Selectivity': '1,8%', 'Yield': 'nodata', 'Article': 'IsolatedPlatinumAtomsinNi/γ-Al2O3forSelectiveHydrogenationofCO2towardCH4', 'Id': ''}"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reaction conditions are applied to catalyst {} and substrates {} to achieve reaction type {}?"}
{"question": "What is the magnetic moment (from OSZICAR) for the material with space group number 157?", "refer_dataset": "table48", "column names": ["spg_number", "magmom_oszicar"], "condition_column": ["spg_number"], "answer_column": ["magmom_oszicar"], "condition": {"spg_number": "157"}, "tool": "search_value", "answer": {"magmom_oszicar": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the magnetic moment (from OSZICAR) for the material with space group number {}?"}
{"question": "What data source type (Type) is associated with a conversion yield of 19.4%?", "refer_dataset": "table28", "column names": ["C2y", "Type"], "condition_column": ["C2y"], "answer_column": ["Type"], "condition": {"C2y": "19.4"}, "tool": "search_value", "answer": {"Type": "Literature"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What data source type (Type) is associated with a conversion yield of {}%?"}
{"question": "What is the HM symbol for the compound with the abbreviation Ga4Os2?", "refer_dataset": "table31", "column names": ["1", "9"], "condition_column": ["1"], "answer_column": ["9"], "condition": {"1": "Ga4Os2"}, "tool": "search_value", "answer": {"9": "Fddd"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HM symbol for the compound with the abbreviation {}?"}
{"question": "Determine the ionic contribution to the dielectric constant (diel_ion) where the source is 6.02409 and the GGA band gap energy is Huan_etal:SciDat(submitted) eV.", "refer_dataset": "table58", "column names": ["diel_ion", "src", "gga_gap"], "condition_column": ["diel_ion", "src"], "answer_column": ["gga_gap"], "condition": {"diel_ion": "6.02409", "src": "Huan_etal:SciDat(submitted)"}, "tool": "search_value", "answer": {"gga_gap": "2.9797"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the ionic contribution to the dielectric constant (diel_ion) where the source is {} and the GGA band gap energy is {} eV."}
{"question": "What institutional report number is linked to the title Numerical solution of shock and ramp compression for general material\n  properties?", "refer_dataset": "table45", "column names": ["title", "report-no"], "condition_column": ["title"], "answer_column": ["report-no"], "condition": {"title": "Numerical solution of shock and ramp compression for general material\n  properties"}, "tool": "search_value", "answer": {"report-no": "LA-UR-07-2051, LLNL-JRNL-410358"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What institutional report number is linked to the title {}?"}
{"question": "Retrieve the HOMO energy level for a material with LUMO energy of 3.186453342437744.", "refer_dataset": "table60", "column names": ["lumo", "homo"], "condition_column": ["lumo"], "answer_column": ["homo"], "condition": {"lumo": "3.186453342437744"}, "tool": "search_value", "answer": {"homo": "-10.549854278564451"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the HOMO energy level for a material with LUMO energy of {}."}
{"question": "What is the M06 Scharber Voc for the entry where the M06 gap is 0.196?", "refer_dataset": "table51", "column names": ["m06_gap", "m06_scharber_voc"], "condition_column": ["m06_gap"], "answer_column": ["m06_scharber_voc"], "condition": {"m06_gap": "0.196"}, "tool": "search_value", "answer": {"m06_scharber_voc": "1.9035208955"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the M06 Scharber Voc for the entry where the M06 gap is {}?"}
{"question": "What is the OptB88-vdW bandgap when the conduction band minimum (CBM) is 4.5854?", "refer_dataset": "table52", "column names": ["optb88vdw_cbm", "optb88vdw_bandgap"], "condition_column": ["optb88vdw_cbm"], "answer_column": ["optb88vdw_bandgap"], "condition": {"optb88vdw_cbm": "4.5854"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "0.6234999999999999"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the OptB88-vdW bandgap when the conduction band minimum (CBM) is {}?"}
{"question": "Find the unique identifier (ID) for the material with formula Re0.1W0.9.", "refer_dataset": "table65", "column names": ["formula", "id"], "condition_column": ["formula"], "answer_column": ["id"], "condition": {"formula": "Re0.1W0.9"}, "tool": "search_value", "answer": {"id": "7"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the unique identifier (ID) for the material with formula {}."}
{"question": "Find the density of element A (ρa) when the radius (Ra) is 138.8, ionization energy (I1a) is 5.193, and melting temperature (A_Tm) is 102.13.", "refer_dataset": "table2", "column names": ["Ra", "I1a", "A_Tm", "ρa"], "condition_column": ["Ra", "I1a", "A_Tm"], "answer_column": ["ρa"], "condition": {"Ra": "138.8", "I1a": "5.193", "A_Tm": "102.13"}, "tool": "search_value", "answer": {"ρa": "1.19"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the density of element A (ρa) when the radius (Ra) is {}, ionization energy (I1a) is {}, and melting temperature (A_Tm) is {}."}
{"question": "What is the similarity score of perovskite LaCrO3 when feature 25 is 0.029317?", "refer_dataset": "table14", "column names": ["Perovskite", "25", "similarity"], "condition_column": ["Perovskite", "25"], "answer_column": ["similarity"], "condition": {"Perovskite": "LaCrO3", "25": "0.029317"}, "tool": "search_value", "answer": {"similarity": "0.288529"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the similarity score of perovskite {} when feature 25 is {}?"}
{"question": "How many elements does a material with energy above hull of 0.2275384786363634 contain?", "refer_dataset": "table55", "column names": ["e_above_hull", "nelements"], "condition_column": ["e_above_hull"], "answer_column": ["nelements"], "condition": {"e_above_hull": "0.2275384786363634"}, "tool": "search_value", "answer": {"nelements": "3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many elements does a material with energy above hull of {} contain?"}
{"question": "What is the shear modulus (G) of the material with job ID JVASP-10?", "refer_dataset": "table47", "column names": ["jid", "shear_modulus_gv"], "condition_column": ["jid"], "answer_column": ["shear_modulus_gv"], "condition": {"jid": "JVASP-10"}, "tool": "search_value", "answer": {"shear_modulus_gv": "33.05"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the shear modulus (G) of the material with job ID {}?"}
{"question": "What is the Gibbs free energy (G) of a material with dipole moment 0.0 and polarizability 16.280000686645508?", "refer_dataset": "table60", "column names": ["mu", "alpha", "G"], "condition_column": ["mu", "alpha"], "answer_column": ["G"], "condition": {"mu": "0.0", "alpha": "16.280000686645508"}, "tool": "search_value", "answer": {"G": "-15.862632751464844"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Gibbs free energy (G) of a material with dipole moment {} and polarizability {}?"}
{"question": "What is the magnetic moment (magmom_oszicar) for the material with job ID JVASP-28634?", "refer_dataset": "table47", "column names": ["jid", "magmom_oszicar"], "condition_column": ["jid"], "answer_column": ["magmom_oszicar"], "condition": {"jid": "JVASP-28634"}, "tool": "search_value", "answer": {"magmom_oszicar": "na"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the magnetic moment (magmom_oszicar) for the material with job ID {}?"}
{"question": "What is the formation energy for the compound formula Ba2Gd6Fe8O24?", "refer_dataset": "table37", "column names": ["Material Composition", "Formation_energy"], "condition_column": ["Material Composition"], "answer_column": ["Formation_energy"], "condition": {"Material Composition": "Ba2Gd6Fe8O24"}, "tool": "search_value", "answer": {"Formation_energy": "-1.90326175396"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy for the compound formula {}?"}
{"question": "Report the exfoliation energy per atom of the material where the total magnetization is 0.0 and the bandgap is 1.1619.", "refer_dataset": "table67", "column names": ["total_magnetization", "bandgap", "exfoliation_energy_per_atom"], "condition_column": ["total_magnetization", "bandgap"], "answer_column": ["exfoliation_energy_per_atom"], "condition": {"total_magnetization": "0.0", "bandgap": "1.1619"}, "tool": "search_value", "answer": {"exfoliation_energy_per_atom": "0.08483058333333338"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the exfoliation energy per atom of the material where the total magnetization is {} and the bandgap is {}."}
{"question": "Determine the CO2 yield percentage for M1 element 7,6 and support material Na at a furnace length of SiO2 mm.", "refer_dataset": "table27", "column names": ["CO2 yield(%)", "M1", "Support", "furnace length(mm)"], "condition_column": ["CO2 yield(%)", "M1", "Support"], "answer_column": ["furnace length(mm)"], "condition": {"CO2 yield(%)": "7,6", "M1": "Na", "Support": "SiO2"}, "tool": "search_value", "answer": {"furnace length(mm)": "270"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the CO2 yield percentage for M1 element {} and support material {} at a furnace length of {} mm."}
{"question": "What is the shear modulus of a material with elastic anisotropy 0.95 and formula Mg(ScSe2)2?", "refer_dataset": "table56", "column names": ["elastic anisotropy", "formula", "shear modulus"], "condition_column": ["elastic anisotropy", "formula"], "answer_column": ["shear modulus"], "condition": {"elastic anisotropy": "0.95", "formula": "Mg(ScSe2)2"}, "tool": "search_value", "answer": {"shear modulus": "20.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the shear modulus of a material with elastic anisotropy {} and formula {}?"}
{"question": "What is the ionic octahedral stability ratio (octahedral_factor_ionic) for a material with EnergyAboveHull of 291.384615991 and 0 unfilled d-orbital electrons?", "refer_dataset": "table37", "column names": ["EnergyAboveHull", "Bsite_NdValence_range", "octahedral_factor_ionic"], "condition_column": ["EnergyAboveHull", "Bsite_NdValence_range"], "answer_column": ["octahedral_factor_ionic"], "condition": {"EnergyAboveHull": "291.384615991", "Bsite_NdValence_range": "0"}, "tool": "search_value", "answer": {"octahedral_factor_ionic": "0.392857142857"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ionic octahedral stability ratio (octahedral_factor_ionic) for a material with EnergyAboveHull of {} and {} unfilled d-orbital electrons?"}
{"question": "Determine the energy above hull for a material with unit cell formula {'Tm': 4.0, 'Ni': 4.0} and 8 sites.", "refer_dataset": "table55", "column names": ["unit_cell_formula", "nsites", "e_above_hull"], "condition_column": ["unit_cell_formula", "nsites"], "answer_column": ["e_above_hull"], "condition": {"unit_cell_formula": "{'Tm': 4.0, 'Ni': 4.0}", "nsites": "8"}, "tool": "search_value", "answer": {"e_above_hull": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the energy above hull for a material with unit cell formula {} and {} sites."}
{"question": "Given a conduction band minimum (CBM) of 8.6359, what is the total energy after optimization?", "refer_dataset": "table52", "column names": ["optb88vdw_cbm", "final_energy"], "condition_column": ["optb88vdw_cbm"], "answer_column": ["final_energy"], "condition": {"optb88vdw_cbm": "8.6359"}, "tool": "search_value", "answer": {"final_energy": "-385.24643015"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a conduction band minimum (CBM) of {}, what is the total energy after optimization?"}
{"question": "Determine the Structure-directing agent amount (SDA) required for a reaction with Germanium molar ratio (Ge) of 0.555, Hydrofluoric acid quantity (HF) of 0.111, and Framework Density 1 parameter (FD1) of 0.555.", "refer_dataset": "table40", "column names": ["SDA", "Ge", "HF", "FD1"], "condition_column": ["SDA", "Ge", "HF"], "answer_column": ["FD1"], "condition": {"SDA": "0.555", "Ge": "0.111", "HF": "0.555"}, "tool": "search_value", "answer": {"FD1": "19.7"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the Structure-directing agent amount (SDA) required for a reaction with Germanium molar ratio (Ge) of {}, Hydrofluoric acid quantity (HF) of {}, and Framework Density 1 parameter (FD1) of {}."}
{"question": "What is the chemical formula for the material identified by 218?", "refer_dataset": "table64", "column names": ["id", "formula"], "condition_column": ["id"], "answer_column": ["formula"], "condition": {"id": "218"}, "tool": "search_value", "answer": {"formula": "BeH2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula for the material identified by {}?"}
{"question": "What entry ID has a BP86 Scharber Jsc of 202.619962665, a BP86 HOMO of -0.185, and an M06 gap of 0.16?", "refer_dataset": "table51", "column names": ["bp86_scharber_jsc", "bp86_homo", "m06_gap", "id"], "condition_column": ["bp86_scharber_jsc", "bp86_homo", "m06_gap"], "answer_column": ["id"], "condition": {"bp86_scharber_jsc": "202.619962665", "bp86_homo": "-0.185", "m06_gap": "0.16"}, "tool": "search_value", "answer": {"id": "25"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What entry ID has a BP86 Scharber Jsc of {}, a BP86 HOMO of {}, and an M06 gap of {}?"}
{"question": "What metal components are present in the catalyst with Ni-14,10%/Fe-6,50%% weight metal loading?", "refer_dataset": "table29", "column names": ["WeigthMetalLoading", "MetalPart"], "condition_column": ["WeigthMetalLoading"], "answer_column": ["MetalPart"], "condition": {"WeigthMetalLoading": "Ni-14,10%/Fe-6,50%"}, "tool": "search_value", "answer": {"MetalPart": "NiFe"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What metal components are present in the catalyst with {}% weight metal loading?"}
{"question": "For the material with ID mp-10008, what is its stability (e_hull) metric?", "refer_dataset": "table54", "column names": ["id", "e_hull"], "condition_column": ["id"], "answer_column": ["e_hull"], "condition": {"id": "mp-10008"}, "tool": "search_value", "answer": {"e_hull": "0.234548721875"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with ID {}, what is its stability (e_hull) metric?"}
{"question": "What is the unique identifier (id) for the material classified as 655?", "refer_dataset": "table58", "column names": ["id", "label"], "condition_column": ["id"], "answer_column": ["label"], "condition": {"id": "655"}, "tool": "search_value", "answer": {"label": "Cd-based_polymer"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unique identifier (id) for the material classified as {}?"}
{"question": "What is the C₂ yield (%) for a CH4/O2 ratio of 6.0 with Support BaO and PAr 0.7 atm?", "refer_dataset": "table23", "column names": ["CH4/O2 (mol/mol)", "Support", "PAr (atm)", "C2 yield (%)"], "condition_column": ["CH4/O2 (mol/mol)", "Support", "PAr (atm)"], "answer_column": ["C2 yield (%)"], "condition": {"CH4/O2 (mol/mol)": "6.0", "Support": "BaO", "PAr (atm)": "0.7"}, "tool": "search_value", "answer": {"C2 yield (%)": "0.8"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the C₂ yield (%) for a CH4/O2 ratio of {} with Support {} and PAr {} atm?"}
{"question": "What shear modulus is associated with the material Al(CoSi)2?", "refer_dataset": "table54", "column names": ["formula", "shear modulus"], "condition_column": ["formula"], "answer_column": ["shear modulus"], "condition": {"formula": "Al(CoSi)2"}, "tool": "search_value", "answer": {"shear modulus": "96.25554322321535"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What shear modulus is associated with the material {}?"}
{"question": "If a molecule has an internal energy at 0 K (U0) of 5.70989371834825 and a molecular structure C, what is its heat capacity at constant volume (Cv)?", "refer_dataset": "table61", "column names": ["U0", "SMILES", "Cv"], "condition_column": ["U0", "SMILES"], "answer_column": ["Cv"], "condition": {"U0": "5.70989371834825", "SMILES": "C"}, "tool": "search_value", "answer": {"Cv": "-6.18353212813309"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If a molecule has an internal energy at 0 K (U0) of {} and a molecular structure {}, what is its heat capacity at constant volume (Cv)?"}
{"question": "Given a conduction band minimum (CBM) of 6.8134, what is the total energy after optimization?", "refer_dataset": "table52", "column names": ["optb88vdw_cbm", "final_energy"], "condition_column": ["optb88vdw_cbm"], "answer_column": ["final_energy"], "condition": {"optb88vdw_cbm": "6.8134"}, "tool": "search_value", "answer": {"final_energy": "-207.57252903"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a conduction band minimum (CBM) of {}, what is the total energy after optimization?"}
{"question": "Find the energy above hull (meV/atom) for the compound with material composition Ba2Gd6Fe8O24.", "refer_dataset": "table35", "column names": ["Material Composition", "energy_above_hull (meV/atom)"], "condition_column": ["Material Composition"], "answer_column": ["energy_above_hull (meV/atom)"], "condition": {"Material Composition": "Ba2Gd6Fe8O24"}, "tool": "search_value", "answer": {"energy_above_hull (meV/atom)": "70.9734215852"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the energy above hull (meV/atom) for the compound with material composition {}."}
{"question": "What is the lattice parameter a for the COD CIF file 1000030?", "refer_dataset": "table38", "column names": ["file", "a"], "condition_column": ["file"], "answer_column": ["a"], "condition": {"file": "1000030"}, "tool": "search_value", "answer": {"a": "3.8203"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the lattice parameter a for the COD CIF file {}?"}
{"question": "What is the zero-point vibrational energy (zpve) for the material with internal energy at 0K (U0) of -29.08815574645996?", "refer_dataset": "table60", "column names": ["U0", "zpve"], "condition_column": ["U0"], "answer_column": ["zpve"], "condition": {"U0": "-29.08815574645996"}, "tool": "search_value", "answer": {"zpve": "2.028391122817993"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the zero-point vibrational energy (zpve) for the material with internal energy at 0K (U0) of {}?"}
{"question": "Identify the reference identifier for a material with primary B site Ta, secondary B2 site Cr, and cycle3 performance 10.9.", "refer_dataset": "table5", "column names": ["B site", "B2 site", "cycle3", "Ref"], "condition_column": ["B site", "B2 site", "cycle3"], "answer_column": ["Ref"], "condition": {"B site": "Ta", "B2 site": "Cr", "cycle3": "10.9"}, "tool": "search_value", "answer": {"Ref": "[A111]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the reference identifier for a material with primary B site {}, secondary B2 site {}, and cycle3 performance {}."}
{"question": "What is the crystal structure lattice matrix data (atoms) of the compound with numerical identifier 8 and species H2OCH3OCH3?", "refer_dataset": "table46", "column names": ["name", "species", "atoms"], "condition_column": ["name", "species"], "answer_column": ["atoms"], "condition": {"name": "8", "species": "H2OCH3OCH3"}, "tool": "search_value", "answer": {"atoms": "{'lattice_mat': [[15, 0, 0], [0, 15, 0], [0, 0, 15]], 'coords': [[1.441823, -0.51728, 0.111421], [2.392847, -0.301574, 0.138599], [-0.418679, -0.147264, -0.214453], [-0.467936, 1.250327, 0.027171], [-1.639233, -0.803242, 0.069376], [2.680847, -0.447663, -0.774382], [-0.774979, 1.466691, 1.061679], [0.544744, 1.625142, -0.131086], [-1.167888, 1.747814, -0.660918], [-1.492688, -1.865588, -0.140662], [-1.927403, -0.680225, 1.124824], [-2.454784, -0.420691, -0.563328]], 'elements': ['H', 'O', 'O', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H'], 'abc': [15.0, 15.0, 15.0], 'angles': [90.0, 90.0, 90.0], 'cartesian': True, 'props': ['', '', '', '', '', '', '', '', '', '', '', '']}"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the crystal structure lattice matrix data (atoms) of the compound with numerical identifier {} and species {}?"}
{"question": "What C₂ selectivity (%) is achieved at 850.0℃ with a total flow rate of 10.0 mL/min and CH4/O2 ratio of 4.0?", "refer_dataset": "table23", "column names": ["Temp. (℃)", "Total flow (mL/min)", "CH4/O2 (mol/mol)", "C2 selectivity (%)"], "condition_column": ["Temp. (℃)", "Total flow (mL/min)", "CH4/O2 (mol/mol)"], "answer_column": ["C2 selectivity (%)"], "condition": {"Temp. (℃)": "850.0", "Total flow (mL/min)": "10.0", "CH4/O2 (mol/mol)": "4.0"}, "tool": "search_value", "answer": {"C2 selectivity (%)": "43.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What C₂ selectivity (%) is achieved at {}℃ with a total flow rate of {} mL/min and CH4/O2 ratio of {}?"}
{"question": "What is the secondary element in the B site of the material composition Ba2Ca6Fe8O24?", "refer_dataset": "table35", "column names": ["Material Composition", "B site #2"], "condition_column": ["Material Composition"], "answer_column": ["B site #2"], "condition": {"Material Composition": "Ba2Ca6Fe8O24"}, "tool": "search_value", "answer": {"B site #2": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary element in the B site of the material composition {}?"}
{"question": "Determine the HOMO energy level (eV) for the compound named 11 with InChI identifier InChI=1S/CH4N2/c2-1-3/h1H,(H3,2,3).", "refer_dataset": "table46", "column names": ["name", "inchi", "homo"], "condition_column": ["name", "inchi"], "answer_column": ["homo"], "condition": {"name": "11", "inchi": "InChI=1S/CH4N2/c2-1-3/h1H,(H3,2,3)"}, "tool": "search_value", "answer": {"homo": "-0.23581"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the HOMO energy level (eV) for the compound named {} with InChI identifier {}."}
{"question": "Given a molecule with SMILES notation CC#N and a dipole moment (mu) of 0.76730662896953, what is its zero-point vibrational energy (ZPVE)?", "refer_dataset": "table61", "column names": ["SMILES", "mu", "ZPVE"], "condition_column": ["SMILES", "mu"], "answer_column": ["ZPVE"], "condition": {"SMILES": "CC#N", "mu": "0.76730662896953"}, "tool": "search_value", "answer": {"ZPVE": "-3.13273043634234"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a molecule with SMILES notation {} and a dipole moment (mu) of {}, what is its zero-point vibrational energy (ZPVE)?"}
{"question": "Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of -15.862632751464844 and heat capacity (Cv) of 8.574000358581543.", "refer_dataset": "table60", "column names": ["G", "Cv", "zpve"], "condition_column": ["G", "Cv"], "answer_column": ["zpve"], "condition": {"G": "-15.862632751464844", "Cv": "8.574000358581543"}, "tool": "search_value", "answer": {"zpve": "0.7303808331489563"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of {} and heat capacity (Cv) of {}."}
{"question": "Find the HSE band gap energy (hse_gap) of the material classified as 4.1823 processed using the SnF2-based_polymer method.", "refer_dataset": "table58", "column names": ["hse_gap", "label", "method"], "condition_column": ["hse_gap", "label"], "answer_column": ["method"], "condition": {"hse_gap": "4.1823", "label": "SnF2-based_polymer"}, "tool": "search_value", "answer": {"method": "minima-hopping"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the HSE band gap energy (hse_gap) of the material classified as {} processed using the {} method."}
{"question": "What synthesis duration is required for polymer type PEG, surfactant type Myristyltrimethylammonium bromide, and temperature 50 C?", "refer_dataset": "table42", "column names": ["Polymer type", "Surfactant type", "Temperature, C", "Synthesis time"], "condition_column": ["Polymer type", "Surfactant type", "Temperature, C"], "answer_column": ["Synthesis time"], "condition": {"Polymer type": "PEG", "Surfactant type": "Myristyltrimethylammonium bromide", "Temperature, C": "50"}, "tool": "search_value", "answer": {"Synthesis time": "5 min 0 sec"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What synthesis duration is required for polymer type {}, surfactant type {}, and temperature {} C?"}
{"question": "What is the formation energy value associated with the unique job identifier JVASP-25273?", "refer_dataset": "table68", "column names": ["jid", "ef"], "condition_column": ["jid"], "answer_column": ["ef"], "condition": {"jid": "JVASP-25273"}, "tool": "search_value", "answer": {"ef": "5.99159"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy value associated with the unique job identifier {}?"}
{"question": "Given a Goldschmidt TF ionic contribution of 0.921958457009, what is the thermal octahedral_factor_ionic ratio?", "refer_dataset": "table37", "column names": ["goldschmidt_TF_ionic", "octahedral_factor_ionic"], "condition_column": ["goldschmidt_TF_ionic"], "answer_column": ["octahedral_factor_ionic"], "condition": {"goldschmidt_TF_ionic": "0.921958457009"}, "tool": "search_value", "answer": {"octahedral_factor_ionic": "0.392857142857"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a Goldschmidt TF ionic contribution of {}, what is the thermal octahedral_factor_ionic ratio?"}
{"question": "What is the chemical formula for the material identified by 1759?", "refer_dataset": "table64", "column names": ["id", "formula"], "condition_column": ["id"], "answer_column": ["formula"], "condition": {"id": "1759"}, "tool": "search_value", "answer": {"formula": "PbTe"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula for the material identified by {}?"}
{"question": "What is the band gap (gap pbe) of the compound Al(CoSi)2?", "refer_dataset": "table54", "column names": ["formula", "gap pbe"], "condition_column": ["formula"], "answer_column": ["gap pbe"], "condition": {"formula": "Al(CoSi)2"}, "tool": "search_value", "answer": {"gap pbe": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band gap (gap pbe) of the compound {}?"}
{"question": "What is the energy per atom for the compound stored in the source folder '/rk2/knc6/UniveralTB/julia_data/Mg_F_kspace/POSCAR_distort_vnscf_vol_3'?", "refer_dataset": "table59", "column names": ["source_folder", "energy_per_atom"], "condition_column": ["source_folder"], "answer_column": ["energy_per_atom"], "condition": {"source_folder": "'/rk2/knc6/UniveralTB/julia_data/Mg_F_kspace/POSCAR_distort_vnscf_vol_3'"}, "tool": "search_value", "answer": {"energy_per_atom": "-1182.1867"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy per atom for the compound stored in the source folder {}?"}
{"question": "What is the Poisson ratio for the material with formula TiCuSiAs?", "refer_dataset": "table47", "column names": ["formula", "poisson"], "condition_column": ["formula"], "answer_column": ["poisson"], "condition": {"formula": "TiCuSiAs"}, "tool": "search_value", "answer": {"poisson": "na"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Poisson ratio for the material with formula {}?"}
{"question": "What is the chemical formula of the material with job identifier JVASP-14431?", "refer_dataset": "table48", "column names": ["jid", "formula"], "condition_column": ["jid"], "answer_column": ["formula"], "condition": {"jid": "JVASP-14431"}, "tool": "search_value", "answer": {"formula": "MnSe"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula of the material with job identifier {}?"}
{"question": "Determine the formation energy (eV/atom) of the compound with material composition Ba2Dy6Fe8O24.", "refer_dataset": "table35", "column names": ["Material Composition", "formation_energy (eV/atom)"], "condition_column": ["Material Composition"], "answer_column": ["formation_energy (eV/atom)"], "condition": {"Material Composition": "Ba2Dy6Fe8O24"}, "tool": "search_value", "answer": {"formation_energy (eV/atom)": "-1.74680618871"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the formation energy (eV/atom) of the compound with material composition {}."}
{"question": "What is the crystal structure lattice matrix data (atoms) of the compound with numerical identifier 6 and species H2OHCOOH?", "refer_dataset": "table46", "column names": ["name", "species", "atoms"], "condition_column": ["name", "species"], "answer_column": ["atoms"], "condition": {"name": "6", "species": "H2OHCOOH"}, "tool": "search_value", "answer": {"atoms": "{'lattice_mat': [[15, 0, 0], [0, 15, 0], [0, 0, 15]], 'coords': [[1.848387, 0.486314, -0.176225], [2.382072, -0.320643, -0.094466], [-0.248923, 0.9505, 0.010296], [2.732344, -0.274931, 0.807823], [-0.988781, 1.588833, 0.001489], [-0.799405, -0.292116, 0.003359], [-1.983437, -0.506218, 0.002724], [0.006786, -1.036636, -0.001681]], 'elements': ['H', 'O', 'O', 'H', 'H', 'C', 'O', 'H'], 'abc': [15.0, 15.0, 15.0], 'angles': [90.0, 90.0, 90.0], 'cartesian': True, 'props': ['', '', '', '', '', '', '', '']}"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the crystal structure lattice matrix data (atoms) of the compound with numerical identifier {} and species {}?"}
{"question": "Report the average maximum potential (avg_max) for surface Surface-JVASP-15348_miller_1_1_0_thickness_16_VASP_PBE_noDP composed of BeAlB when the SCF valence band maximum (scf_vbm) is 7.388.", "refer_dataset": "table66", "column names": ["name", "formula", "scf_vbm", "avg_max"], "condition_column": ["name", "formula", "scf_vbm"], "answer_column": ["avg_max"], "condition": {"name": "Surface-JVASP-15348_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "BeAlB", "scf_vbm": "7.388"}, "tool": "search_value", "answer": {"avg_max": "26.95001607174691"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the average maximum potential (avg_max) for surface {} composed of {} when the SCF valence band maximum (scf_vbm) is {}."}
{"question": "Which journal published the article with DOI 10.1016/j.apsusc.2019.143710?", "refer_dataset": "table13", "column names": ["DOI", "Journal_Name"], "condition_column": ["DOI"], "answer_column": ["Journal_Name"], "condition": {"DOI": "10.1016/j.apsusc.2019.143710"}, "tool": "search_value", "answer": {"Journal_Name": "APPLIED SURFACE SCIENCE"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which journal published the article with DOI {}?"}
{"question": "Determine the activation energy (eV) for element Au (atomic number 79) on surface identifier 2.", "refer_dataset": "table18", "column names": ["AA", "A_AtimicN", "surfaces_key", "activation_energy"], "condition_column": ["AA", "A_AtimicN", "surfaces_key"], "answer_column": ["activation_energy"], "condition": {"AA": "Au", "A_AtimicN": "79", "surfaces_key": "2"}, "tool": "search_value", "answer": {"activation_energy": "0.31"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the activation energy (eV) for element {} (atomic number {}) on surface identifier {}."}
{"question": "What desorption temperature (DT) corresponds to the molecular formula PrFeO3?", "refer_dataset": "table11", "column names": ["Molecular formulas", "DT (℃)"], "condition_column": ["Molecular formulas"], "answer_column": ["DT (℃)"], "condition": {"Molecular formulas": "PrFeO3"}, "tool": "search_value", "answer": {"DT (℃)": "90"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What desorption temperature (DT) corresponds to the molecular formula {}?"}
{"question": "What is the lattice parameter c for the entry with lattice parameters a of 18.25099 and b of 8.814?", "refer_dataset": "table38", "column names": ["a", "b", "c"], "condition_column": ["a", "b"], "answer_column": ["c"], "condition": {"a": "18.25099", "b": "8.814"}, "tool": "search_value", "answer": {"c": "5.181"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the lattice parameter c for the entry with lattice parameters a of {} and b of {}?"}
{"question": "Which research facility in CA 95064 USA contributed to this study?", "refer_dataset": "table13", "column names": ["Country", "Facility"], "condition_column": ["Country"], "answer_column": ["Facility"], "condition": {"Country": "CA 95064 USA"}, "tool": "search_value", "answer": {"Facility": "Univ Calif Santa Cruz"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which research facility in {} contributed to this study?"}
{"question": "What is the CSM value reported for the molecular symmetry of compound [Pc2Tb]TBA:[Pc2Y]TBA = 1/50?", "refer_dataset": "table34", "column names": ["compound", "CSM"], "condition_column": ["compound"], "answer_column": ["CSM"], "condition": {"compound": "[Pc2Tb]TBA:[Pc2Y]TBA = 1/50"}, "tool": "search_value", "answer": {"CSM": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CSM value reported for the molecular symmetry of compound {}?"}
{"question": "What is the hydrothermal method usage status (1=yes) for an article from ELECTROCHIMICA ACTA (Journal) with 97 citations?", "refer_dataset": "table13", "column names": ["Journal_Name", "Cited_Time", "Judge_Hydrothermal"], "condition_column": ["Journal_Name", "Cited_Time"], "answer_column": ["Judge_Hydrothermal"], "condition": {"Journal_Name": "ELECTROCHIMICA ACTA", "Cited_Time": "97"}, "tool": "search_value", "answer": {"Judge_Hydrothermal": "0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the hydrothermal method usage status (1=yes) for an article from {} (Journal) with {} citations?"}
{"question": "How much energy above hull does a material exhibit if its Goldschmidt TF is 0.918647821674, octahedral_factor is 0.452857142857, and s-orbital B-site electrons are unfilled in the range 0?", "refer_dataset": "table37", "column names": ["goldschmidt_TF", "octahedral_factor", "Bsite_NsUnfilled_range", "EnergyAboveHull"], "condition_column": ["goldschmidt_TF", "octahedral_factor", "Bsite_NsUnfilled_range"], "answer_column": ["EnergyAboveHull"], "condition": {"goldschmidt_TF": "0.918647821674", "octahedral_factor": "0.452857142857", "Bsite_NsUnfilled_range": "0"}, "tool": "search_value", "answer": {"EnergyAboveHull": "291.384615991"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How much energy above hull does a material exhibit if its Goldschmidt TF is {}, octahedral_factor is {}, and s-orbital B-site electrons are unfilled in the range {}?"}
{"question": "What initial concentration (mg/L) of Nitrobenzene correlates with reference 1.0?", "refer_dataset": "table9", "column names": ["OC", "C0, mg/L", "Ref"], "condition_column": ["OC", "C0, mg/L"], "answer_column": ["Ref"], "condition": {"OC": "Nitrobenzene", "C0, mg/L": "1.0"}, "tool": "search_value", "answer": {"Ref": "17"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What initial concentration (mg/L) of {} correlates with reference {}?"}
{"question": "What is the stress tensor for the compound in the trigonal crystal system, with a space group symbol of P-3m1 and formula As?", "refer_dataset": "table59", "column names": ["crystal_system", "spacegroup_symbol", "formula", "stress"], "condition_column": ["crystal_system", "spacegroup_symbol", "formula"], "answer_column": ["stress"], "condition": {"crystal_system": "trigonal", "spacegroup_symbol": "P-3m1", "formula": "As"}, "tool": "search_value", "answer": {"stress": "[[0.10064973711477586, 1.0576919870427894e-11, 0.0], [1.0576919870427894e-11, 0.10064973710643317, 0.0], [-1.2450899552029315e-27, -2.1565590624465987e-27, 0.04258407712318949]]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the stress tensor for the compound in the {} crystal system, with a space group symbol of {} and formula {}?"}
{"question": "Find the internal energy (U) for a sample that has a statistical correlation coefficient (R²) of -4.02684653612837 and a heat capacity (Cv) of -6.19729982493282.", "refer_dataset": "table61", "column names": ["R2", "Cv", "U"], "condition_column": ["R2", "Cv"], "answer_column": ["U"], "condition": {"R2": "-4.02684653612837", "Cv": "-6.19729982493282"}, "tool": "search_value", "answer": {"U": "5.85213296706841"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the internal energy (U) for a sample that has a statistical correlation coefficient (R²) of {} and a heat capacity (Cv) of {}."}
{"question": "What is the tolerance factor (t) when element A has a radius (Ra) of 131.82, element B has a radius (Rb) of 66.45, and the electronegativity of A (χpa) is 0.91?", "refer_dataset": "table2", "column names": ["Ra", "Rb", "χpa", "t"], "condition_column": ["Ra", "Rb", "χpa"], "answer_column": ["t"], "condition": {"Ra": "131.82", "Rb": "66.45", "χpa": "0.91"}, "tool": "search_value", "answer": {"t": "0.931"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tolerance factor (t) when element A has a radius (Ra) of {}, element B has a radius (Rb) of {}, and the electronegativity of A (χpa) is {}?"}
{"question": "Identify the total calculated energy for the compound stored in folder '/rk2/knc6/UniveralTB/julia_data/Li_kspace/POSCAR_As_221_vnscf_vol_1', having 2 atoms and an indirect band gap of 0.0?", "refer_dataset": "table59", "column names": ["source_folder", "natoms", "indir_gap", "final_energy"], "condition_column": ["source_folder", "natoms", "indir_gap"], "answer_column": ["final_energy"], "condition": {"source_folder": "'/rk2/knc6/UniveralTB/julia_data/Li_kspace/POSCAR_As_221_vnscf_vol_1'", "natoms": "2", "indir_gap": "0.0"}, "tool": "search_value", "answer": {"final_energy": "-14.36015134908384"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the total calculated energy for the compound stored in folder {}, having {} atoms and an indirect band gap of {}?"}
{"question": "Specify the formation energy (e_form) of the material with formula Mo3P:", "refer_dataset": "table56", "column names": ["formula", "e_form"], "condition_column": ["formula"], "answer_column": ["e_form"], "condition": {"formula": "Mo3P"}, "tool": "search_value", "answer": {"e_form": "-0.3393416995238088"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Specify the formation energy (e_form) of the material with formula {}:"}
{"question": "How much magnetic moment (mu_b) does the material with formula CeAlO3 exhibit?", "refer_dataset": "table56", "column names": ["formula", "mu_b"], "condition_column": ["formula"], "answer_column": ["mu_b"], "condition": {"formula": "CeAlO3"}, "tool": "search_value", "answer": {"mu_b": "0.9999131"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How much magnetic moment (mu_b) does the material with formula {} exhibit?"}
{"question": "Find the e_hull for ID mp-1000487 with a formation energy (e_form) of -3.60725811675:", "refer_dataset": "table56", "column names": ["id", "e_form", "e_hull"], "condition_column": ["id", "e_form"], "answer_column": ["e_hull"], "condition": {"id": "mp-1000487", "e_form": "-3.60725811675"}, "tool": "search_value", "answer": {"e_hull": "0.014698139"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the e_hull for ID {} with a formation energy (e_form) of {}:"}
{"question": "What is the volume (cubic angstroms) of the compound with the formula Nd1Zn5?", "refer_dataset": "table31", "column names": ["0", "5"], "condition_column": ["0"], "answer_column": ["5"], "condition": {"0": "Nd1Zn5"}, "tool": "search_value", "answer": {"5": "106.02700Å3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the volume (cubic angstroms) of the compound with the formula {}?"}
{"question": "What potential was applied to the element -Pb to generate shear modulus (Voigt) results of 16.208000000000002?", "refer_dataset": "table53", "column names": ["search", "gv", "func"], "condition_column": ["search", "gv"], "answer_column": ["func"], "condition": {"search": "-Pb", "gv": "16.208000000000002"}, "tool": "search_value", "answer": {"func": "alpb-setfl.eam.alloy"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What potential was applied to the element {} to generate shear modulus (Voigt) results of {}?"}
{"question": "What is the bandgap (eV) of the material listed under reference [S34]?", "refer_dataset": "table4", "column names": ["Ref", "BandGap(eV)"], "condition_column": ["Ref"], "answer_column": ["BandGap(eV)"], "condition": {"Ref": "[S34]"}, "tool": "search_value", "answer": {"BandGap(eV)": "2.38"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bandgap (eV) of the material listed under reference {}?"}
{"question": "For materials using Base Be and Composition BeBe, what is the Reaction energy (ReactionE)?", "refer_dataset": "table24", "column names": ["Base", "Composition", "ReactionE"], "condition_column": ["Base", "Composition"], "answer_column": ["ReactionE"], "condition": {"Base": "Be", "Composition": "BeBe"}, "tool": "search_value", "answer": {"ReactionE": "-1.0112573332"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For materials using Base {} and Composition {}, what is the Reaction energy (ReactionE)?"}
{"question": "What stirring speed optimizes synthesis with Ca ion 216 mM, HCO3 ion 200 mM, and solvent 0.0%?", "refer_dataset": "table42", "column names": ["Ca ion, mM", "HCO3 ion, mM", "Solvent, % vol.", "Stirring, rpm"], "condition_column": ["Ca ion, mM", "HCO3 ion, mM", "Solvent, % vol."], "answer_column": ["Stirring, rpm"], "condition": {"Ca ion, mM": "216", "HCO3 ion, mM": "200", "Solvent, % vol.": "0.0"}, "tool": "search_value", "answer": {"Stirring, rpm": "770"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What stirring speed optimizes synthesis with Ca ion {} mM, HCO3 ion {} mM, and solvent {}%?"}
{"question": "Find the density of element B (ρb) when the radius of element B (Rb) is 67.06.", "refer_dataset": "table2", "column names": ["Rb", "ρb"], "condition_column": ["Rb"], "answer_column": ["ρb"], "condition": {"Rb": "67.06"}, "tool": "search_value", "answer": {"ρb": "4.68"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the density of element B (ρb) when the radius of element B (Rb) is {}."}
{"question": "What is the similarity score of perovskite SrCoO3 when feature 25 is 0.012656?", "refer_dataset": "table14", "column names": ["Perovskite", "25", "similarity"], "condition_column": ["Perovskite", "25"], "answer_column": ["similarity"], "condition": {"Perovskite": "SrCoO3", "25": "0.012656"}, "tool": "search_value", "answer": {"similarity": "0.323249"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the similarity score of perovskite {} when feature 25 is {}?"}
{"question": "What is the crystal structure lattice matrix data (atoms) of the compound with numerical identifier 10 and species CH3SeH?", "refer_dataset": "table46", "column names": ["name", "species", "atoms"], "condition_column": ["name", "species"], "answer_column": ["atoms"], "condition": {"name": "10", "species": "CH3SeH"}, "tool": "search_value", "answer": {"atoms": "{'lattice_mat': [[15, 0, 0], [0, 15, 0], [0, 0, 15]], 'coords': [[-0.031971, -0.42437, 0.0], [-0.031971, 1.547222, 0.0], [1.451436, -0.552128, 0.0], [-1.081414, 1.847848, 0.0], [0.454403, 1.924771, 0.899526], [0.454403, 1.924771, -0.899526]], 'elements': ['Se', 'C', 'H', 'H', 'H', 'H'], 'abc': [15.0, 15.0, 15.0], 'angles': [90.0, 90.0, 90.0], 'cartesian': True, 'props': ['', '', '', '', '', '']}"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the crystal structure lattice matrix data (atoms) of the compound with numerical identifier {} and species {}?"}
{"question": "If a material has a delta_e of 0.41234490060345 and stability of 0.41234490060345, what is its band gap?", "refer_dataset": "table57", "column names": ["_oqmd_delta_e", "_oqmd_stability", "_oqmd_band_gap"], "condition_column": ["_oqmd_delta_e", "_oqmd_stability"], "answer_column": ["_oqmd_band_gap"], "condition": {"_oqmd_delta_e": "0.41234490060345", "_oqmd_stability": "0.41234490060345"}, "tool": "search_value", "answer": {"_oqmd_band_gap": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If a material has a delta_e of {} and stability of {}, what is its band gap?"}
{"question": "What is the electron affinity of element B (EAb) when its first ionization energy (I1b) is 6.815?", "refer_dataset": "table2", "column names": ["I1b", "EAb"], "condition_column": ["I1b"], "answer_column": ["EAb"], "condition": {"I1b": "6.815"}, "tool": "search_value", "answer": {"EAb": "7.95"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electron affinity of element B (EAb) when its first ionization energy (I1b) is {}?"}
{"question": "Determine the source identifier of the material with total magnetization 0.0887066 and energy per atom of -6.7996637133333335.", "refer_dataset": "table67", "column names": ["total_magnetization", "energy_per_atom", "source_id"], "condition_column": ["total_magnetization", "energy_per_atom"], "answer_column": ["source_id"], "condition": {"total_magnetization": "0.0887066", "energy_per_atom": "-6.7996637133333335"}, "tool": "search_value", "answer": {"source_id": "mvc-12841"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the source identifier of the material with total magnetization {} and energy per atom of {}."}
{"question": "What bulk modulus corresponds to a material with gap pbe 0.0 and mu_b 0.0002568?", "refer_dataset": "table56", "column names": ["gap pbe", "mu_b", "bulk modulus"], "condition_column": ["gap pbe", "mu_b"], "answer_column": ["bulk modulus"], "condition": {"gap pbe": "0.0", "mu_b": "0.0002568"}, "tool": "search_value", "answer": {"bulk modulus": "1.7128080410464268"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What bulk modulus corresponds to a material with gap pbe {} and mu_b {}?"}
{"question": "What is the tertiary element in the B site of a compound with a primary A site element of Ba, an anion element of O, and an energy above hull of 70.9734215852 meV/atom?", "refer_dataset": "table35", "column names": ["A site #1", "X site", "energy_above_hull (meV/atom)", "B site #3"], "condition_column": ["A site #1", "X site", "energy_above_hull (meV/atom)"], "answer_column": ["B site #3"], "condition": {"A site #1": "Ba", "X site": "O", "energy_above_hull (meV/atom)": "70.9734215852"}, "tool": "search_value", "answer": {"B site #3": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tertiary element in the B site of a compound with a primary A site element of {}, an anion element of {}, and an energy above hull of {} meV/atom?"}
{"question": "At a Reaction duration (Time) of 1.28 hours, what is the corresponding Hydrofluoric acid quantity (HF)?", "refer_dataset": "table40", "column names": ["HF", "Time"], "condition_column": ["HF"], "answer_column": ["Time"], "condition": {"HF": "1.28"}, "tool": "search_value", "answer": {"Time": "72.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At a Reaction duration (Time) of {} hours, what is the corresponding Hydrofluoric acid quantity (HF)?"}
{"question": "Determine the reaction energy (eV) for element Pt (atomic number 78) on surface -100.", "refer_dataset": "table18", "column names": ["AA", "A_AtimicN", "surfaces", "reaction_energy"], "condition_column": ["AA", "A_AtimicN", "surfaces"], "answer_column": ["reaction_energy"], "condition": {"AA": "Pt", "A_AtimicN": "78", "surfaces": "-100"}, "tool": "search_value", "answer": {"reaction_energy": "-0.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the reaction energy (eV) for element {} (atomic number {}) on surface {}."}
{"question": "What conversion yield (C2y) is achieved when the primary metal (M1) is K, secondary metal (M2) is B, and process temperature is 791°C?", "refer_dataset": "table28", "column names": ["M1", "M2", "Temperature", "C2y"], "condition_column": ["M1", "M2", "Temperature"], "answer_column": ["C2y"], "condition": {"M1": "K", "M2": "B", "Temperature": "791"}, "tool": "search_value", "answer": {"C2y": "6.7"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What conversion yield (C2y) is achieved when the primary metal (M1) is {}, secondary metal (M2) is {}, and process temperature is {}°C?"}
{"question": "Provide the atomic energy (atom_en) for the entry using the -6.10137 method.", "refer_dataset": "table58", "column names": ["atom_en", "method"], "condition_column": ["atom_en"], "answer_column": ["method"], "condition": {"atom_en": "-6.10137"}, "tool": "search_value", "answer": {"method": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the atomic energy (atom_en) for the entry using the {} method."}
{"question": "What is the enthalpy of formation at 0K (kJ/mol) for the compound with species H2OCH3OCH3 and HOMO energy level -0.26658 eV?", "refer_dataset": "table46", "column names": ["species", "homo", "enthalpy_formation_0K"], "condition_column": ["species", "homo"], "answer_column": ["enthalpy_formation_0K"], "condition": {"species": "H2OCH3OCH3", "homo": "-0.26658"}, "tool": "search_value", "answer": {"enthalpy_formation_0K": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the enthalpy of formation at 0K (kJ/mol) for the compound with species {} and HOMO energy level {} eV?"}
{"question": "What is the indirect band gap of the compound in the '/rk2/knc6/UniveralTB/julia_data/Li_kspace/POSCAR_As_221_vnscf_vol_2' source folder with a space group number of 221 and 2 atoms?", "refer_dataset": "table59", "column names": ["source_folder", "spacegroup_number", "natoms", "indir_gap"], "condition_column": ["source_folder", "spacegroup_number", "natoms"], "answer_column": ["indir_gap"], "condition": {"source_folder": "'/rk2/knc6/UniveralTB/julia_data/Li_kspace/POSCAR_As_221_vnscf_vol_2'", "spacegroup_number": "221", "natoms": "2"}, "tool": "search_value", "answer": {"indir_gap": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the indirect band gap of the compound in the {} source folder with a space group number of {} and {} atoms?"}
{"question": "Which composition has a coercivity value of 145.0 kA/m?", "refer_dataset": "table32", "column names": ["kA/m", "composition"], "condition_column": ["kA/m"], "answer_column": ["composition"], "condition": {"kA/m": "145.0"}, "tool": "search_value", "answer": {"composition": "Ni_40Fe_30Co_30"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which composition has a coercivity value of {} kA/m?"}
{"question": "For Job ID cc-8, what is the crystal structure lattice matrix data (atoms)?", "refer_dataset": "table46", "column names": ["jid", "atoms"], "condition_column": ["jid"], "answer_column": ["atoms"], "condition": {"jid": "cc-8"}, "tool": "search_value", "answer": {"atoms": "{'lattice_mat': [[15, 0, 0], [0, 15, 0], [0, 0, 15]], 'coords': [[1.441823, -0.51728, 0.111421], [2.392847, -0.301574, 0.138599], [-0.418679, -0.147264, -0.214453], [-0.467936, 1.250327, 0.027171], [-1.639233, -0.803242, 0.069376], [2.680847, -0.447663, -0.774382], [-0.774979, 1.466691, 1.061679], [0.544744, 1.625142, -0.131086], [-1.167888, 1.747814, -0.660918], [-1.492688, -1.865588, -0.140662], [-1.927403, -0.680225, 1.124824], [-2.454784, -0.420691, -0.563328]], 'elements': ['H', 'O', 'O', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H'], 'abc': [15.0, 15.0, 15.0], 'angles': [90.0, 90.0, 90.0], 'cartesian': True, 'props': ['', '', '', '', '', '', '', '', '', '', '', '']}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For Job ID {}, what is the crystal structure lattice matrix data (atoms)?"}
{"question": "Calculate the first ionization energy of element B (I1b) in materials with Ra = 116.5 Å, χpb = 1.57, and A_Tb = 1400.2 K.", "refer_dataset": "table3", "column names": ["Ra", "χpb", "A_Tb", "I1b"], "condition_column": ["Ra", "χpb", "A_Tb"], "answer_column": ["I1b"], "condition": {"Ra": "116.5", "χpb": "1.57", "A_Tb": "1400.2"}, "tool": "search_value", "answer": {"I1b": "6.936"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the first ionization energy of element B (I1b) in materials with Ra = {} Å, χpb = {}, and A_Tb = {} K."}
{"question": "Identify the reference identifier for a material with primary B site Ti, secondary B2 site Ta, and cycle3 performance 180.7.", "refer_dataset": "table5", "column names": ["B site", "B2 site", "cycle3", "Ref"], "condition_column": ["B site", "B2 site", "cycle3"], "answer_column": ["Ref"], "condition": {"B site": "Ti", "B2 site": "Ta", "cycle3": "180.7"}, "tool": "search_value", "answer": {"Ref": "[A152]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the reference identifier for a material with primary B site {}, secondary B2 site {}, and cycle3 performance {}."}
{"question": "Calculate the conduction band minimum (surf_cbm) for material ErSbPd and surface Surface-JVASP-1750_miller_1_1_0_thickness_16_VASP_PBE_noDP when the average maximum potential is 3.907142236189986.", "refer_dataset": "table66", "column names": ["formula", "name", "avg_max", "surf_cbm"], "condition_column": ["formula", "name", "avg_max"], "answer_column": ["surf_cbm"], "condition": {"formula": "ErSbPd", "name": "Surface-JVASP-1750_miller_1_1_0_thickness_16_VASP_PBE_noDP", "avg_max": "3.907142236189986"}, "tool": "search_value", "answer": {"surf_cbm": "1.9346"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the conduction band minimum (surf_cbm) for material {} and surface {} when the average maximum potential is {}."}
{"question": "Determine the ID for the material whose formula is Pb0.5Ca1Sr2Y0.5Cu2O6.97.", "refer_dataset": "table65", "column names": ["formula", "id"], "condition_column": ["formula"], "answer_column": ["id"], "condition": {"formula": "Pb0.5Ca1Sr2Y0.5Cu2O6.97"}, "tool": "search_value", "answer": {"id": "14511"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the ID for the material whose formula is {}."}
{"question": "What potential was applied to the element -O-Si to generate shear modulus (Voigt) results of 46.25066666666667?", "refer_dataset": "table53", "column names": ["search", "gv", "func"], "condition_column": ["search", "gv"], "answer_column": ["func"], "condition": {"search": "-O-Si", "gv": "46.25066666666667"}, "tool": "search_value", "answer": {"func": "ffield.comb"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What potential was applied to the element {} to generate shear modulus (Voigt) results of {}?"}
{"question": "For the material with net magnetic moment 3.88 and source CSD, provide its DOI.", "refer_dataset": "table62", "column names": ["net_magmom", "source", "doi"], "condition_column": ["net_magmom", "source"], "answer_column": ["doi"], "condition": {"net_magmom": "3.88", "source": "CSD"}, "tool": "search_value", "answer": {"doi": "https://doi.org/10.14233/ajchem.2014.16986"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with net magnetic moment {} and source {}, provide its DOI."}
{"question": "Calculate the melting temperature of element A (A_Tm) for materials with Ra = 110.5 Å and density (ρa) = 6.215 g/cm³.", "refer_dataset": "table3", "column names": ["Ra", "ρa", "A_Tm"], "condition_column": ["Ra", "ρa"], "answer_column": ["A_Tm"], "condition": {"Ra": "110.5", "ρa": "6.215"}, "tool": "search_value", "answer": {"A_Tm": "524.2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the melting temperature of element A (A_Tm) for materials with Ra = {} Å and density (ρa) = {} g/cm³."}
{"question": "What is the Catalyst loading (g/l) for a photocatalyst with an SBET of 59.75 m²/g?", "refer_dataset": "table10", "column names": ["SBET (m2 /g)", "loading (g/l)"], "condition_column": ["SBET (m2 /g)"], "answer_column": ["loading (g/l)"], "condition": {"SBET (m2 /g)": "59.75"}, "tool": "search_value", "answer": {"loading (g/l)": "0.25"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Catalyst loading (g/l) for a photocatalyst with an SBET of {} m²/g?"}
{"question": "What is the optimal methane partial pressure (Pch4) when using tertiary metal (M3) none with support material Sn at a temperature of 750°C?", "refer_dataset": "table28", "column names": ["M3", "Support", "Temperature", "Pch4"], "condition_column": ["M3", "Support", "Temperature"], "answer_column": ["Pch4"], "condition": {"M3": "none", "Support": "Sn", "Temperature": "750"}, "tool": "search_value", "answer": {"Pch4": "0.15"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the optimal methane partial pressure (Pch4) when using tertiary metal (M3) {} with support material {} at a temperature of {}°C?"}
{"question": "What nanoparticle dose (g/L) yielded a reaction rate (-log(k)) of 1.875 for 0.6068?", "refer_dataset": "table9", "column names": ["D, g/L", "-log(k), min-1", "OC"], "condition_column": ["D, g/L", "-log(k), min-1"], "answer_column": ["OC"], "condition": {"D, g/L": "1.875", "-log(k), min-1": "0.6068"}, "tool": "search_value", "answer": {"OC": "Biphthalate"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What nanoparticle dose (g/L) yielded a reaction rate (-log(k)) of {} for {}?"}
{"question": "Determine the Support material used when Metal 3 component is Tb, PAr is 0.15 atm, and C₂ yield is 3.8%?", "refer_dataset": "table23", "column names": ["M3", "PAr (atm)", "C2 yield (%)", "Support"], "condition_column": ["M3", "PAr (atm)", "C2 yield (%)"], "answer_column": ["Support"], "condition": {"M3": "Tb", "PAr (atm)": "0.15", "C2 yield (%)": "3.8"}, "tool": "search_value", "answer": {"Support": "MgO"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the Support material used when Metal 3 component is {}, PAr is {} atm, and C₂ yield is {}%?"}
{"question": "What unit is associated with a measured value of 265?", "refer_dataset": "table32", "column names": ["value", "unit"], "condition_column": ["value"], "answer_column": ["unit"], "condition": {"value": "265"}, "tool": "search_value", "answer": {"unit": "mT"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What unit is associated with a measured value of {}?"}
{"question": "What is the DOI for the paper authored by C. Bal\\'azs, E. L. Berger, P. M. Nadolsky, C.-P. Yuan and categorized under hep-ph?", "refer_dataset": "table45", "column names": ["authors", "categories", "doi"], "condition_column": ["authors", "categories"], "answer_column": ["doi"], "condition": {"authors": "C. Bal\\'azs, E. L. Berger, P. M. Nadolsky, C.-P. Yuan", "categories": "hep-ph"}, "tool": "search_value", "answer": {"doi": "10.1103/PhysRevD.76.013009"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the DOI for the paper authored by {} and categorized under {}?"}
{"question": "What reaction solution is associated with a preparation method of 50vol％ CH3OH?", "refer_dataset": "table1", "column names": ["Reaction solution", "Preparation method"], "condition_column": ["Reaction solution"], "answer_column": ["Preparation method"], "condition": {"Reaction solution": "50vol％ CH3OH"}, "tool": "search_value", "answer": {"Preparation method": "Sol-gel"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reaction solution is associated with a preparation method of {}?"}
{"question": "Determine the electron affinity of element A (EAa) in the material BaTi0.98Mo0.02O3.", "refer_dataset": "table2", "column names": ["Materials", "EAa"], "condition_column": ["Materials"], "answer_column": ["EAa"], "condition": {"Materials": "BaTi0.98Mo0.02O3"}, "tool": "search_value", "answer": {"EAa": "14.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the electron affinity of element A (EAa) in the material {}."}
{"question": "What is the bandgap (gap pbe) of the material with formula Mo3P and an e_hull of 0.0?", "refer_dataset": "table56", "column names": ["formula", "e_hull", "gap pbe"], "condition_column": ["formula", "e_hull"], "answer_column": ["gap pbe"], "condition": {"formula": "Mo3P", "e_hull": "0.0"}, "tool": "search_value", "answer": {"gap pbe": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bandgap (gap pbe) of the material with formula {} and an e_hull of {}?"}
{"question": "What is the HSE-calculated bandgap for the material with a PBE lattice constant of 5.76 Å and a tolerance factor of 0.951?", "refer_dataset": "table49", "column names": ["PBE_latt_const", "Tol", "HSE_gap"], "condition_column": ["PBE_latt_const", "Tol"], "answer_column": ["HSE_gap"], "condition": {"PBE_latt_const": "5.76", "Tol": "0.951"}, "tool": "search_value", "answer": {"HSE_gap": "3.18"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HSE-calculated bandgap for the material with a PBE lattice constant of {} Å and a tolerance factor of {}?"}
{"question": "Find the Tc of the material with ID 4010 and formula Pr0.91La1Ce0.09Cu1O4.", "refer_dataset": "table65", "column names": ["id", "formula", "Tc"], "condition_column": ["id", "formula"], "answer_column": ["Tc"], "condition": {"id": "4010", "formula": "Pr0.91La1Ce0.09Cu1O4"}, "tool": "search_value", "answer": {"Tc": "24.6"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Tc of the material with ID {} and formula {}."}
{"question": "Provide the calculated PBE bandgap for the material K(CoSe)2:", "refer_dataset": "table56", "column names": ["formula", "gap pbe"], "condition_column": ["formula"], "answer_column": ["gap pbe"], "condition": {"formula": "K(CoSe)2"}, "tool": "search_value", "answer": {"gap pbe": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the calculated PBE bandgap for the material {}:"}
{"question": "Retrieve the thermodynamic stability metric of the material identified by entry ID 472983.0.", "refer_dataset": "table57", "column names": ["_oqmd_entry_id", "_oqmd_stability"], "condition_column": ["_oqmd_entry_id"], "answer_column": ["_oqmd_stability"], "condition": {"_oqmd_entry_id": "472983.0"}, "tool": "search_value", "answer": {"_oqmd_stability": "0.35674995435345"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the thermodynamic stability metric of the material identified by entry ID {}."}
{"question": "Calculate the fitted band gap (egap_fit) for a material with AFLOWLIB UID c2375c2dfa108fbb and Bader net charges of [1.8714, 0.1206, -0.664, -0.664, -0.664].", "refer_dataset": "table43", "column names": ["auid", "bader_net_charges", "egap_fit"], "condition_column": ["auid", "bader_net_charges"], "answer_column": ["egap_fit"], "condition": {"auid": "c2375c2dfa108fbb", "bader_net_charges": "[1.8714, 0.1206, -0.664, -0.664, -0.664]"}, "tool": "search_value", "answer": {"egap_fit": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the fitted band gap (egap_fit) for a material with AFLOWLIB UID {} and Bader net charges of {}."}
{"question": "What conduction band minimum (CBM) corresponds to a bandgap of -0.4756 and an alignment offset of -0.1592672289933379?", "refer_dataset": "table52", "column names": ["optb88vdw_bandgap", "offset", "optb88vdw_cbm"], "condition_column": ["optb88vdw_bandgap", "offset"], "answer_column": ["optb88vdw_cbm"], "condition": {"optb88vdw_bandgap": "-0.4756", "offset": "-0.1592672289933379"}, "tool": "search_value", "answer": {"optb88vdw_cbm": "5.4775"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What conduction band minimum (CBM) corresponds to a bandgap of {} and an alignment offset of {}?"}
{"question": "What is the energy per atom for the material with material ID 2dm-9 and exfoliation energy per atom of 0.18241974124999993?", "refer_dataset": "table67", "column names": ["material_id", "exfoliation_energy_per_atom", "energy_per_atom"], "condition_column": ["material_id", "exfoliation_energy_per_atom"], "answer_column": ["energy_per_atom"], "condition": {"material_id": "2dm-9", "exfoliation_energy_per_atom": "0.18241974124999993"}, "tool": "search_value", "answer": {"energy_per_atom": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy per atom for the material with material ID {} and exfoliation energy per atom of {}?"}
{"question": "What is the coulombic efficiency percentage achieved by a Re material catalyst with nanostructuring set to 0.0 and a pH of 7.0?", "refer_dataset": "table12", "column names": ["Material", "Nanostructuring", "pH", "C.E. %"], "condition_column": ["Material", "Nanostructuring", "pH"], "answer_column": ["C.E. %"], "condition": {"Material": "Re", "Nanostructuring": "0.0", "pH": "7.0"}, "tool": "search_value", "answer": {"C.E. %": "87.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the coulombic efficiency percentage achieved by a {} material catalyst with nanostructuring set to {} and a pH of {}?"}
{"question": "What is the C₂ hydrocarbon selectivity when the primary anion is 16.0, secondary cation is 0.0, and temperature is 742.0?", "refer_dataset": "table20", "column names": ["Anion1", "Cation2", "Temperature", "C2-selectivity"], "condition_column": ["Anion1", "Cation2", "Temperature"], "answer_column": ["C2-selectivity"], "condition": {"Anion1": "16.0", "Cation2": "0.0", "Temperature": "742.0"}, "tool": "search_value", "answer": {"C2-selectivity": "8.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the C₂ hydrocarbon selectivity when the primary anion is {}, secondary cation is {}, and temperature is {}?"}
{"question": "What degradation efficiency (%) was achieved for material MIL-101 at pH 2.2 with an illumination time of 10 minutes?", "refer_dataset": "table6", "column names": ["Material", "pH", "Illumination time (min)", "Degradation efficiency (%)"], "condition_column": ["Material", "pH", "Illumination time (min)"], "answer_column": ["Degradation efficiency (%)"], "condition": {"Material": "MIL-101", "pH": "2.2", "Illumination time (min)": "10"}, "tool": "search_value", "answer": {"Degradation efficiency (%)": "16.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What degradation efficiency (%) was achieved for material {} at pH {} with an illumination time of {} minutes?"}
{"question": "What is the quaternary cation identifier when its molar percentage is 0.2?", "refer_dataset": "table20", "column names": ["Cation4-mol", "Cation4"], "condition_column": ["Cation4-mol"], "answer_column": ["Cation4"], "condition": {"Cation4-mol": "0.2"}, "tool": "search_value", "answer": {"Cation4": "19.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the quaternary cation identifier when its molar percentage is {}?"}
{"question": "What is the tolerance factor (t) when element A has a radius (Ra) of 138.8, element B has a radius (Rb) of 72.0, and the electronegativity of A (χpa) is 0.96?", "refer_dataset": "table2", "column names": ["Ra", "Rb", "χpa", "t"], "condition_column": ["Ra", "Rb", "χpa"], "answer_column": ["t"], "condition": {"Ra": "138.8", "Rb": "72.0", "χpa": "0.96"}, "tool": "search_value", "answer": {"t": "0.93"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tolerance factor (t) when element A has a radius (Ra) of {}, element B has a radius (Rb) of {}, and the electronegativity of A (χpa) is {}?"}
{"question": "For a molecule with primary vibrational frequency (omega1) of 0.02247121663841 and Gibbs free energy (G) of 4.57570144279915, what is its optimized structure (SMILES_relaxed)?", "refer_dataset": "table61", "column names": ["omega1", "G", "SMILES_relaxed"], "condition_column": ["omega1", "G"], "answer_column": ["SMILES_relaxed"], "condition": {"omega1": "0.02247121663841", "G": "4.57570144279915"}, "tool": "search_value", "answer": {"SMILES_relaxed": "CC#C"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a molecule with primary vibrational frequency (omega1) of {} and Gibbs free energy (G) of {}, what is its optimized structure (SMILES_relaxed)?"}
{"question": "What potential was applied to the element -Pb to generate shear modulus (Voigt) results of 5.794?", "refer_dataset": "table53", "column names": ["search", "gv", "func"], "condition_column": ["search", "gv"], "answer_column": ["func"], "condition": {"search": "-Pb", "gv": "5.794"}, "tool": "search_value", "answer": {"func": "alpb-setfl.eam.alloy"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What potential was applied to the element {} to generate shear modulus (Voigt) results of {}?"}
{"question": "What is the HOMO energy for the molecule represented by the SMILES notation N?", "refer_dataset": "table61", "column names": ["SMILES", "HOMO"], "condition_column": ["SMILES"], "answer_column": ["HOMO"], "condition": {"SMILES": "N"}, "tool": "search_value", "answer": {"HOMO": "-0.7643322709248"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HOMO energy for the molecule represented by the SMILES notation {}?"}
{"question": "State the energy per atom for the material in space group {'symprec': 0.1, 'source': 'spglib', 'symbol': 'P2', 'number': 3, 'point_group': '2', 'crystal_system': 'monoclinic', 'hall': 'P 2y'}.", "refer_dataset": "table55", "column names": ["spacegroup", "energy_per_atom"], "condition_column": ["spacegroup"], "answer_column": ["energy_per_atom"], "condition": {"spacegroup": "{'symprec': 0.1, 'source': 'spglib', 'symbol': 'P2', 'number': 3, 'point_group': '2', 'crystal_system': 'monoclinic', 'hall': 'P 2y'}"}, "tool": "search_value", "answer": {"energy_per_atom": "-5.937482336884058"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "State the energy per atom for the material in space group {}."}
{"question": "What Methyl adsorption energy (CH3Ead) occurs in Composition BeH paired with Base Be?", "refer_dataset": "table24", "column names": ["Composition", "Base", "CH3Ead"], "condition_column": ["Composition", "Base"], "answer_column": ["CH3Ead"], "condition": {"Composition": "BeH", "Base": "Be"}, "tool": "search_value", "answer": {"CH3Ead": "-0.2309165998"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What Methyl adsorption energy (CH3Ead) occurs in Composition {} paired with Base {}?"}
{"question": "What is the HM symbol for the compound with the abbreviation Gd2Rh4?", "refer_dataset": "table31", "column names": ["1", "9"], "condition_column": ["1"], "answer_column": ["9"], "condition": {"1": "Gd2Rh4"}, "tool": "search_value", "answer": {"9": "Fd-3m"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HM symbol for the compound with the abbreviation {}?"}
{"question": "What is the statistical correlation coefficient (R²) for a molecule with SMILES_relaxed structure C#N and a dipole moment (mu) of 0.14680008939016?", "refer_dataset": "table61", "column names": ["SMILES_relaxed", "mu", "R2"], "condition_column": ["SMILES_relaxed", "mu"], "answer_column": ["R2"], "condition": {"SMILES_relaxed": "C#N", "mu": "0.14680008939016"}, "tool": "search_value", "answer": {"R2": "-4.06692710208782"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the statistical correlation coefficient (R²) for a molecule with SMILES_relaxed structure {} and a dipole moment (mu) of {}?"}
{"question": "Find the stability (e_hull) of the compound Hf2S with a bulk modulus of 131.4023301801204 and magnetic moment (mu_b) of 6.11e-05.", "refer_dataset": "table54", "column names": ["formula", "bulk modulus", "mu_b", "e_hull"], "condition_column": ["formula", "bulk modulus", "mu_b"], "answer_column": ["e_hull"], "condition": {"formula": "Hf2S", "bulk modulus": "131.4023301801204", "mu_b": "6.11e-05"}, "tool": "search_value", "answer": {"e_hull": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the stability (e_hull) of the compound {} with a bulk modulus of {} and magnetic moment (mu_b) of {}."}
{"question": "What is the ionic contribution to the Goldschmidt tolerance factor when the total tolerance factor is 0.97600899124?", "refer_dataset": "table37", "column names": ["goldschmidt_TF", "goldschmidt_TF_ionic"], "condition_column": ["goldschmidt_TF"], "answer_column": ["goldschmidt_TF_ionic"], "condition": {"goldschmidt_TF": "0.97600899124"}, "tool": "search_value", "answer": {"goldschmidt_TF_ionic": "0.908360249678"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ionic contribution to the Goldschmidt tolerance factor when the total tolerance factor is {}?"}
{"question": "Find the total dielectric constant (diel_tot) of the entry with the unique identifier 3.23406 and processed using the 30 method.", "refer_dataset": "table58", "column names": ["diel_tot", "id", "method"], "condition_column": ["diel_tot", "id"], "answer_column": ["method"], "condition": {"diel_tot": "3.23406", "id": "30"}, "tool": "search_value", "answer": {"method": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the total dielectric constant (diel_tot) of the entry with the unique identifier {} and processed using the {} method."}
{"question": "Determine the conduction band minimum (CBM) for a system with a final energy of -168.5512116 and a valence band maximum (VBM) of 4.7106.", "refer_dataset": "table52", "column names": ["final_energy", "optb88vdw_vbm", "optb88vdw_cbm"], "condition_column": ["final_energy", "optb88vdw_vbm"], "answer_column": ["optb88vdw_cbm"], "condition": {"final_energy": "-168.5512116", "optb88vdw_vbm": "4.7106"}, "tool": "search_value", "answer": {"optb88vdw_cbm": "5.1609"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the conduction band minimum (CBM) for a system with a final energy of {} and a valence band maximum (VBM) of {}."}
{"question": "For materials using Base Be and Composition BeC, what is the Reaction energy (ReactionE)?", "refer_dataset": "table24", "column names": ["Base", "Composition", "ReactionE"], "condition_column": ["Base", "Composition"], "answer_column": ["ReactionE"], "condition": {"Base": "Be", "Composition": "BeC"}, "tool": "search_value", "answer": {"ReactionE": "-0.7332434365"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For materials using Base {} and Composition {}, what is the Reaction energy (ReactionE)?"}
{"question": "Provide the slope in CSM analysis for the compound [Dy(L6-2H)(NO3)2(DMF)2](DMF) within the 0.0 sub-family.", "refer_dataset": "table34", "column names": ["compound", "sub_family", "slope_CSM"], "condition_column": ["compound", "sub_family"], "answer_column": ["slope_CSM"], "condition": {"compound": "[Dy(L6-2H)(NO3)2(DMF)2](DMF)", "sub_family": "0.0"}, "tool": "search_value", "answer": {"slope_CSM": "0.3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the slope in CSM analysis for the compound {} within the {} sub-family."}
{"question": "Which journal published the article with DOI 10.1016/j.nanoen.2015.10.014?", "refer_dataset": "table13", "column names": ["DOI", "Journal_Name"], "condition_column": ["DOI"], "answer_column": ["Journal_Name"], "condition": {"DOI": "10.1016/j.nanoen.2015.10.014"}, "tool": "search_value", "answer": {"Journal_Name": "NANO ENERGY"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which journal published the article with DOI {}?"}
{"question": "What is the total magnetization of the material with a bandgap of 2.2099?", "refer_dataset": "table67", "column names": ["bandgap", "total_magnetization"], "condition_column": ["bandgap"], "answer_column": ["total_magnetization"], "condition": {"bandgap": "2.2099"}, "tool": "search_value", "answer": {"total_magnetization": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total magnetization of the material with a bandgap of {}?"}
{"question": "What is the enthalpy (H) of a material with internal energy (U0) of -20.86277961730957 and zero-point vibrational energy 1.3934406042099?", "refer_dataset": "table60", "column names": ["U0", "zpve", "H"], "condition_column": ["U0", "zpve"], "answer_column": ["H"], "condition": {"U0": "-20.86277961730957", "zpve": "1.3934406042099"}, "tool": "search_value", "answer": {"H": "-21.132198333740234"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the enthalpy (H) of a material with internal energy (U0) of {} and zero-point vibrational energy {}?"}
{"question": "Find the heat capacity (Cv) for the material with identifier 1.0.", "refer_dataset": "table60", "column names": ["id", "Cv"], "condition_column": ["id"], "answer_column": ["Cv"], "condition": {"id": "1.0"}, "tool": "search_value", "answer": {"Cv": "6.315999984741211"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the heat capacity (Cv) for the material with identifier {}."}
{"question": "For an entry where the BP86 Scharber Jsc is 51.7516465031, what is the BP86 LUMO energy level?", "refer_dataset": "table51", "column names": ["bp86_scharber_jsc", "bp86_lumo"], "condition_column": ["bp86_scharber_jsc"], "answer_column": ["bp86_lumo"], "condition": {"bp86_scharber_jsc": "51.7516465031"}, "tool": "search_value", "answer": {"bp86_lumo": "-0.092"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For an entry where the BP86 Scharber Jsc is {}, what is the BP86 LUMO energy level?"}
{"question": "Determine the CH4Ead for the Dope element N when integrated into Composition BeN.", "refer_dataset": "table24", "column names": ["Dope", "Composition", "CH4Ead"], "condition_column": ["Dope", "Composition"], "answer_column": ["CH4Ead"], "condition": {"Dope": "N", "Composition": "BeN"}, "tool": "search_value", "answer": {"CH4Ead": "0.1343645818"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the CH4Ead for the Dope element {} when integrated into Composition {}."}
{"question": "Determine the superconducting transition temperature of the material with ID 4837 and formula La1.85Ca0.989Sr0.161Cu2O5.93.", "refer_dataset": "table65", "column names": ["id", "formula", "Tc"], "condition_column": ["id", "formula"], "answer_column": ["Tc"], "condition": {"id": "4837", "formula": "La1.85Ca0.989Sr0.161Cu2O5.93"}, "tool": "search_value", "answer": {"Tc": "13.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the superconducting transition temperature of the material with ID {} and formula {}."}
{"question": "What is the magnetic moment (magmom_oszicar) for the material with job ID JVASP-10?", "refer_dataset": "table47", "column names": ["jid", "magmom_oszicar"], "condition_column": ["jid"], "answer_column": ["magmom_oszicar"], "condition": {"jid": "JVASP-10"}, "tool": "search_value", "answer": {"magmom_oszicar": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the magnetic moment (magmom_oszicar) for the material with job ID {}?"}
{"question": "Given the optimized structure C (SMILES_relaxed) and a Gibbs free energy (G) of 5.75764468354196, what is its primary vibrational frequency (omega1)?", "refer_dataset": "table61", "column names": ["SMILES_relaxed", "G", "omega1"], "condition_column": ["SMILES_relaxed", "G"], "answer_column": ["omega1"], "condition": {"SMILES_relaxed": "C", "G": "5.75764468354196"}, "tool": "search_value", "answer": {"omega1": "-1.3203823354756"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given the optimized structure {} (SMILES_relaxed) and a Gibbs free energy (G) of {}, what is its primary vibrational frequency (omega1)?"}
{"question": "Identify the Reaction energy (ReactionE) for a Composition of BeLi and Base Be.", "refer_dataset": "table24", "column names": ["Composition", "Base", "ReactionE"], "condition_column": ["Composition", "Base"], "answer_column": ["ReactionE"], "condition": {"Composition": "BeLi", "Base": "Be"}, "tool": "search_value", "answer": {"ReactionE": "-0.9257165581"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the Reaction energy (ReactionE) for a Composition of {} and Base {}."}
{"question": "Provide the average maximum potential (avg_max) for surface structure Surface-JVASP-1750_miller_1_1_0_thickness_16_VASP_PBE_noDP.", "refer_dataset": "table66", "column names": ["name", "avg_max"], "condition_column": ["name"], "answer_column": ["avg_max"], "condition": {"name": "Surface-JVASP-1750_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"avg_max": "3.907142236189986"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the average maximum potential (avg_max) for surface structure {}."}
{"question": "What is the solution concentration recorded for the compound [Pc2Tb]TBA:[Pc2Y]TBA = 1/50?", "refer_dataset": "table34", "column names": ["compound", "concentration"], "condition_column": ["compound"], "answer_column": ["concentration"], "condition": {"compound": "[Pc2Tb]TBA:[Pc2Y]TBA = 1/50"}, "tool": "search_value", "answer": {"concentration": "2.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the solution concentration recorded for the compound {}?"}
{"question": "What Hydroxide ion concentration (OH) is required when Silicon molar ratio (Si) is 0.05, Germanium molar ratio (Ge) is 1, and Amorphous content indicator (Am) is 0.05?", "refer_dataset": "table40", "column names": ["OH", "Si", "Ge", "Am"], "condition_column": ["OH", "Si", "Ge"], "answer_column": ["Am"], "condition": {"OH": "0.05", "Si": "1", "Ge": "0.05"}, "tool": "search_value", "answer": {"Am": "Amorphous"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What Hydroxide ion concentration (OH) is required when Silicon molar ratio (Si) is {}, Germanium molar ratio (Ge) is {}, and Amorphous content indicator (Am) is {}?"}
{"question": "Report the X site element for a material where the primary A site is Ba, tertiary A site is La, and formation energy is -1.00942982564 eV/atom.", "refer_dataset": "table35", "column names": ["A site #1", "A site #3", "formation_energy (eV/atom)", "X site"], "condition_column": ["A site #1", "A site #3", "formation_energy (eV/atom)"], "answer_column": ["X site"], "condition": {"A site #1": "Ba", "A site #3": "La", "formation_energy (eV/atom)": "-1.00942982564"}, "tool": "search_value", "answer": {"X site": "O"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the X site element for a material where the primary A site is {}, tertiary A site is {}, and formation energy is {} eV/atom."}
{"question": "What is the ionic dielectric contribution (diel_ion) for the entry with atomic energy 0.500587 and label -6.10137?", "refer_dataset": "table58", "column names": ["diel_ion", "atom_en", "label"], "condition_column": ["diel_ion", "atom_en"], "answer_column": ["label"], "condition": {"diel_ion": "0.500587", "atom_en": "-6.10137"}, "tool": "search_value", "answer": {"label": "poly_acrylonitrile"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ionic dielectric contribution (diel_ion) for the entry with atomic energy {} and label {}?"}
{"question": "What surface energy values are measured for the material Al4Cu9?", "refer_dataset": "table53", "column names": ["formula", "surf_dat"], "condition_column": ["formula"], "answer_column": ["surf_dat"], "condition": {"formula": "Al4Cu9"}, "tool": "search_value", "answer": {"surf_dat": "['1 0 0,1.234', '1 1 0,1.136', '1 1 1,1.27', '2 1 0,1.196', '2 1 1,1.244', '2 2 1,1.218', '3 1 0,1.263', '3 1 1,1.248', '3 2 0,1.208', '3 2 1,1.226', '3 2 2,1.245', '3 3 1,1.211', '3 3 2,1.24']"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What surface energy values are measured for the material {}?"}
{"question": "Which elastic tensor is recorded for the material with job ID JVASP-13526?", "refer_dataset": "table48", "column names": ["jid", "elastic_tensor"], "condition_column": ["jid"], "answer_column": ["elastic_tensor"], "condition": {"jid": "JVASP-13526"}, "tool": "search_value", "answer": {"elastic_tensor": "na"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which elastic tensor is recorded for the material with job ID {}?"}
{"question": "What is the band alignment offset if the OptB88-vdW bandgap is -0.4502999999999995 and the conduction band minimum (CBM) is 5.1609?", "refer_dataset": "table52", "column names": ["optb88vdw_bandgap", "optb88vdw_cbm", "offset"], "condition_column": ["optb88vdw_bandgap", "optb88vdw_cbm"], "answer_column": ["offset"], "condition": {"optb88vdw_bandgap": "-0.4502999999999995", "optb88vdw_cbm": "5.1609"}, "tool": "search_value", "answer": {"offset": "-0.9168658555902556"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band alignment offset if the OptB88-vdW bandgap is {} and the conduction band minimum (CBM) is {}?"}
{"question": "What is the prototype structure identifier for the material with ID agm004141649?", "refer_dataset": "table44", "column names": ["mat_id", "prototype_id"], "condition_column": ["mat_id"], "answer_column": ["prototype_id"], "condition": {"mat_id": "agm004141649"}, "tool": "search_value", "answer": {"prototype_id": "A_26_spg227"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the prototype structure identifier for the material with ID {}?"}
{"question": "What is the density of element B (ρb) for materials with RH2 = 47.0 µmol h-1 g-1 and molar mass (M) = 196.44 g/mol?", "refer_dataset": "table3", "column names": ["RH2(µmol h-1 g-1)", "M", "ρb"], "condition_column": ["RH2(µmol h-1 g-1)", "M"], "answer_column": ["ρb"], "condition": {"RH2(µmol h-1 g-1)": "47.0", "M": "196.44"}, "tool": "search_value", "answer": {"ρb": "4.85"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the density of element B (ρb) for materials with RH2 = {} µmol h-1 g-1 and molar mass (M) = {} g/mol?"}
{"question": "What oxygen partial pressure is used at a reaction temperature of 750.0?", "refer_dataset": "table20", "column names": ["Temperature", "O2-pressure"], "condition_column": ["Temperature"], "answer_column": ["O2-pressure"], "condition": {"Temperature": "750.0"}, "tool": "search_value", "answer": {"O2-pressure": "0.08"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What oxygen partial pressure is used at a reaction temperature of {}?"}
{"question": "Identify the unit cell volume (ų) for a material with element D as H, lattice parameter 3.5994211706 Å, and En value 2.", "refer_dataset": "table22", "column names": ["D", "Lattice", "En", "Volume"], "condition_column": ["D", "Lattice", "En"], "answer_column": ["Volume"], "condition": {"D": "H", "Lattice": "3.5994211706", "En": "2"}, "tool": "search_value", "answer": {"Volume": "46.6334987319"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the unit cell volume (ų) for a material with element D as {}, lattice parameter {} Å, and En value {}."}
{"question": "What is the secondary B site element in a material with a primary A site of Ba, tertiary A site of Pr, and formation energy of -1.04762935746 eV/atom?", "refer_dataset": "table35", "column names": ["A site #1", "A site #3", "formation_energy (eV/atom)", "B site #2"], "condition_column": ["A site #1", "A site #3", "formation_energy (eV/atom)"], "answer_column": ["B site #2"], "condition": {"A site #1": "Ba", "A site #3": "Pr", "formation_energy (eV/atom)": "-1.04762935746"}, "tool": "search_value", "answer": {"B site #2": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary B site element in a material with a primary A site of {}, tertiary A site of {}, and formation energy of {} eV/atom?"}
{"question": "What is the voltage (-V vs. RHE) for the catalyst named Electrodeposited Sn?", "refer_dataset": "table12", "column names": ["Catalyst label", "-V vs. RHE V"], "condition_column": ["Catalyst label"], "answer_column": ["-V vs. RHE V"], "condition": {"Catalyst label": "Electrodeposited Sn"}, "tool": "search_value", "answer": {"-V vs. RHE V": "0.35"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the voltage (-V vs. RHE) for the catalyst named {}?"}
{"question": "What percentage of Gold (Au) is present in an HEA with Platinum (Pt) at 18.6%, Ruthenium (Ru) at 28.5%, and Onset potential of 0.508686 V?", "refer_dataset": "table15", "column names": ["Pt", "Ru", "Onset", "Au"], "condition_column": ["Pt", "Ru", "Onset"], "answer_column": ["Au"], "condition": {"Pt": "18.6", "Ru": "28.5", "Onset": "0.508686"}, "tool": "search_value", "answer": {"Au": "30.4"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What percentage of Gold (Au) is present in an HEA with Platinum (Pt) at {}%, Ruthenium (Ru) at {}%, and Onset potential of {} V?"}
{"question": "Identify the space group number of a material with shear modulus (G) na GPa and formula MoW3Se2S6.", "refer_dataset": "table47", "column names": ["shear_modulus_gv", "formula", "spg_number"], "condition_column": ["shear_modulus_gv", "formula"], "answer_column": ["spg_number"], "condition": {"shear_modulus_gv": "na", "formula": "MoW3Se2S6"}, "tool": "search_value", "answer": {"spg_number": "156"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the space group number of a material with shear modulus (G) {} GPa and formula {}."}
{"question": "Determine the HOMO energy level (eV) for the compound named 6 with InChI identifier InChI=1S/CH4O3/c2-1-4-5-3/h1,3-4H.", "refer_dataset": "table46", "column names": ["name", "inchi", "homo"], "condition_column": ["name", "inchi"], "answer_column": ["homo"], "condition": {"name": "6", "inchi": "InChI=1S/CH4O3/c2-1-4-5-3/h1,3-4H"}, "tool": "search_value", "answer": {"homo": "-0.28615"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the HOMO energy level (eV) for the compound named {} with InChI identifier {}."}
{"question": "Determine the shear modulus resistance of material K(CoSe)2:", "refer_dataset": "table56", "column names": ["formula", "shear modulus"], "condition_column": ["formula"], "answer_column": ["shear modulus"], "condition": {"formula": "K(CoSe)2"}, "tool": "search_value", "answer": {"shear modulus": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the shear modulus resistance of material {}:"}
{"question": "What are the elastic properties of the material composed of ['Co', 'Mn', 'Ni', 'O', 'P'] with a density of 3.501149800046778?", "refer_dataset": "table55", "column names": ["elements", "density", "elasticity"], "condition_column": ["elements", "density"], "answer_column": ["elasticity"], "condition": {"elements": "['Co', 'Mn', 'Ni', 'O', 'P']", "density": "3.501149800046778"}, "tool": "search_value", "answer": {"elasticity": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What are the elastic properties of the material composed of {} with a density of {}?"}
{"question": "What is the zero-point vibrational energy (zpve) for the material with internal energy at 0K (U0) of -12.005853652954102?", "refer_dataset": "table60", "column names": ["U0", "zpve"], "condition_column": ["U0"], "answer_column": ["zpve"], "condition": {"U0": "-12.005853652954102"}, "tool": "search_value", "answer": {"zpve": "0.9349287748336792"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the zero-point vibrational energy (zpve) for the material with internal energy at 0K (U0) of {}?"}
{"question": "Given a conduction band minimum (CBM) of 5.258, what is the total energy after optimization?", "refer_dataset": "table52", "column names": ["optb88vdw_cbm", "final_energy"], "condition_column": ["optb88vdw_cbm"], "answer_column": ["final_energy"], "condition": {"optb88vdw_cbm": "5.258"}, "tool": "search_value", "answer": {"final_energy": "-191.51312359"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a conduction band minimum (CBM) of {}, what is the total energy after optimization?"}
{"question": "What is the temperature in Kelvin corresponding to a magnetic flux density of 363.0 mT?", "refer_dataset": "table32", "column names": ["mT", "K"], "condition_column": ["mT"], "answer_column": ["K"], "condition": {"mT": "363.0"}, "tool": "search_value", "answer": {"K": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the temperature in Kelvin corresponding to a magnetic flux density of {} mT?"}
{"question": "Which authors contributed to the paper titled Paul Harvey, Bruno Merin, Tracy L. Huard, Luisa M. Rebull, Nicholas\n  Chapman, Neal J. Evans II, Philip C. Myers?", "refer_dataset": "table45", "column names": ["authors", "title"], "condition_column": ["authors"], "answer_column": ["title"], "condition": {"authors": "Paul Harvey, Bruno Merin, Tracy L. Huard, Luisa M. Rebull, Nicholas\n  Chapman, Neal J. Evans II, Philip C. Myers"}, "tool": "search_value", "answer": {"title": "The Spitzer c2d Survey of Large, Nearby, Insterstellar Clouds. IX. The\n  Serpens YSO Population As Observed With IRAC and MIPS"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which authors contributed to the paper titled {}?"}
{"question": "What is the secondary metal component (M2) for catalysts with primary metal atom count (M1_atom_number) of 25, support identifier (Support_ID) 4, and CO2 selectivity (CO2s) of 11.63?", "refer_dataset": "table17", "column names": ["M1_atom_number", "Support_ID", "CO2s", "M2"], "condition_column": ["M1_atom_number", "Support_ID", "CO2s"], "answer_column": ["M2"], "condition": {"M1_atom_number": "25", "Support_ID": "4", "CO2s": "11.63"}, "tool": "search_value", "answer": {"M2": "Na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary metal component (M2) for catalysts with primary metal atom count (M1_atom_number) of {}, support identifier (Support_ID) {}, and CO2 selectivity (CO2s) of {}?"}
{"question": "What is the B-site d-orbital electron range for a material composed of Ba2Dy6Fe8O24 with a formation energy of -1.74680618871?", "refer_dataset": "table37", "column names": ["Material Composition", "Formation_energy", "Bsite_NdValence_range"], "condition_column": ["Material Composition", "Formation_energy"], "answer_column": ["Bsite_NdValence_range"], "condition": {"Material Composition": "Ba2Dy6Fe8O24", "Formation_energy": "-1.74680618871"}, "tool": "search_value", "answer": {"Bsite_NdValence_range": "0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the B-site d-orbital electron range for a material composed of {} with a formation energy of {}?"}
{"question": "Given PBE and HSE bandgaps of 1.26 eV and 3.53 eV, what is the refractive index (Ref_ind) of the material?", "refer_dataset": "table49", "column names": ["PBE_gap", "HSE_gap", "Ref_ind"], "condition_column": ["PBE_gap", "HSE_gap"], "answer_column": ["Ref_ind"], "condition": {"PBE_gap": "1.26", "HSE_gap": "3.53"}, "tool": "search_value", "answer": {"Ref_ind": "2.13"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given PBE and HSE bandgaps of {} eV and {} eV, what is the refractive index (Ref_ind) of the material?"}
{"question": "What is the unit cell formula of the material with a density of 4.002798906092511?", "refer_dataset": "table55", "column names": ["density", "unit_cell_formula"], "condition_column": ["density"], "answer_column": ["unit_cell_formula"], "condition": {"density": "4.002798906092511"}, "tool": "search_value", "answer": {"unit_cell_formula": "{'Li': 7.0, 'Mn': 2.0, 'Co': 3.0, 'O': 12.0}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unit cell formula of the material with a density of {}?"}
{"question": "What is the OptB88vdW bandgap of the material with job ID JVASP-28634 and Poisson ratio of na?", "refer_dataset": "table47", "column names": ["jid", "poisson", "optb88vdw_bandgap"], "condition_column": ["jid", "poisson"], "answer_column": ["optb88vdw_bandgap"], "condition": {"jid": "JVASP-28634", "poisson": "na"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "0.689"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the OptB88vdW bandgap of the material with job ID {} and Poisson ratio of {}?"}
{"question": "What is the job identifier for the Mg-F compound with formula Li, crystal system orthorhombic, and a formation energy per atom of 0.0607?", "refer_dataset": "table59", "column names": ["formula", "crystal_system", "f_enp", "jid"], "condition_column": ["formula", "crystal_system", "f_enp"], "answer_column": ["jid"], "condition": {"formula": "Li", "crystal_system": "orthorhombic", "f_enp": "0.0607"}, "tool": "search_value", "answer": {"jid": "JQE-10"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the job identifier for the Mg-F compound with formula {}, crystal system {}, and a formation energy per atom of {}?"}
{"question": "What is the band gap for the material with simplified formula In3Ga in space group {'symprec': 0.1, 'source': 'spglib', 'symbol': 'I4/mmm', 'number': 139, 'point_group': '4/mmm', 'crystal_system': 'tetragonal', 'hall': '-I 4 2'}?", "refer_dataset": "table55", "column names": ["pretty_formula", "spacegroup", "band_gap"], "condition_column": ["pretty_formula", "spacegroup"], "answer_column": ["band_gap"], "condition": {"pretty_formula": "In3Ga", "spacegroup": "{'symprec': 0.1, 'source': 'spglib', 'symbol': 'I4/mmm', 'number': 139, 'point_group': '4/mmm', 'crystal_system': 'tetragonal', 'hall': '-I 4 2'}"}, "tool": "search_value", "answer": {"band_gap": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band gap for the material with simplified formula {} in space group {}?"}
{"question": "For the perovskite compound Cd0.5Zn0.5S, what is the cycle5 performance when the primary A site is Zn and the primary B site is Cd?", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "A site", "B site", "cycle5"], "condition_column": ["Full Name of Perovskite", "A site", "B site"], "answer_column": ["cycle5"], "condition": {"Full Name of Perovskite": "Cd0.5Zn0.5S", "A site": "Zn", "B site": "Cd"}, "tool": "search_value", "answer": {"cycle5": "-"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the perovskite compound {}, what is the cycle5 performance when the primary A site is {} and the primary B site is {}?"}
{"question": "What carbonate ion (CO3) concentration occurs when bicarbonate (HCO3) is 52 mM?", "refer_dataset": "table42", "column names": ["HCO3 ion, mM", "CO3 ion, mM"], "condition_column": ["HCO3 ion, mM"], "answer_column": ["CO3 ion, mM"], "condition": {"HCO3 ion, mM": "52"}, "tool": "search_value", "answer": {"CO3 ion, mM": "77"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What carbonate ion (CO3) concentration occurs when bicarbonate (HCO3) is {} mM?"}
{"question": "What is the post-simulation energy (final_energy) for surface structure Surface-JVASP-63938_miller_1_1_0_thickness_16_VASP_PBE_noDP composed of BaNaBr and having a surface conduction band minimum (surf_cbm) of -0.353?", "refer_dataset": "table66", "column names": ["name", "formula", "surf_cbm", "final_energy"], "condition_column": ["name", "formula", "surf_cbm"], "answer_column": ["final_energy"], "condition": {"name": "Surface-JVASP-63938_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "BaNaBr", "surf_cbm": "-0.353"}, "tool": "search_value", "answer": {"final_energy": "-9.15083895"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the post-simulation energy (final_energy) for surface structure {} composed of {} and having a surface conduction band minimum (surf_cbm) of {}?"}
{"question": "What reference number (Ref.) is linked to the perovskite oxide LaMg0.6Cr0.4O3?", "refer_dataset": "table11", "column names": ["Molecular formulas", "Ref."], "condition_column": ["Molecular formulas"], "answer_column": ["Ref."], "condition": {"Molecular formulas": "LaMg0.6Cr0.4O3"}, "tool": "search_value", "answer": {"Ref.": "[29]"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reference number (Ref.) is linked to the perovskite oxide {}?"}
{"question": "What is the space group symbol for the material with job ID JVASP-90856?", "refer_dataset": "table47", "column names": ["jid", "spg_symbol"], "condition_column": ["jid"], "answer_column": ["spg_symbol"], "condition": {"jid": "JVASP-90856"}, "tool": "search_value", "answer": {"spg_symbol": "P4/nmm"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the space group symbol for the material with job ID {}?"}
{"question": "What is the electronic permittivity (Eps_elec) of the perovskite with a HSE bandgap of 3.41 eV and a PBE decomposition energy of -0.15 eV?", "refer_dataset": "table49", "column names": ["HSE_gap", "PBE_decomp_energy", "Eps_elec"], "condition_column": ["HSE_gap", "PBE_decomp_energy"], "answer_column": ["Eps_elec"], "condition": {"HSE_gap": "3.41", "PBE_decomp_energy": "-0.15"}, "tool": "search_value", "answer": {"Eps_elec": "4.21"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic permittivity (Eps_elec) of the perovskite with a HSE bandgap of {} eV and a PBE decomposition energy of {} eV?"}
{"question": "Determine the reaction temperature needed for a catalyst with primary cation 50.0 and secondary anion 0.0 to achieve a C₂ selectivity abbreviation of 4.8.", "refer_dataset": "table20", "column names": ["Cation1", "Anion2", "C2selec", "Temperature"], "condition_column": ["Cation1", "Anion2", "C2selec"], "answer_column": ["Temperature"], "condition": {"Cation1": "50.0", "Anion2": "0.0", "C2selec": "4.8"}, "tool": "search_value", "answer": {"Temperature": "1073.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the reaction temperature needed for a catalyst with primary cation {} and secondary anion {} to achieve a C₂ selectivity abbreviation of {}."}
{"question": "For a molecule with primary vibrational frequency (omega1) of 1.51212077045889 and Gibbs free energy (G) of 6.53867256157596, what is its optimized structure (SMILES_relaxed)?", "refer_dataset": "table61", "column names": ["omega1", "G", "SMILES_relaxed"], "condition_column": ["omega1", "G"], "answer_column": ["SMILES_relaxed"], "condition": {"omega1": "1.51212077045889", "G": "6.53867256157596"}, "tool": "search_value", "answer": {"SMILES_relaxed": "O"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a molecule with primary vibrational frequency (omega1) of {} and Gibbs free energy (G) of {}, what is its optimized structure (SMILES_relaxed)?"}
{"question": "At what calcination temperature (CT) was preparation method 3 applied to achieve a desorption temperature of 80℃?", "refer_dataset": "table11", "column names": ["PM", "DT (℃)", "CT (℃)"], "condition_column": ["PM", "DT (℃)"], "answer_column": ["CT (℃)"], "condition": {"PM": "3", "DT (℃)": "80"}, "tool": "search_value", "answer": {"CT (℃)": "900"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what calcination temperature (CT) was preparation method {} applied to achieve a desorption temperature of {}℃?"}
{"question": "What are the vacancy formation factors for the material with bulk energy 60.7932 and job identifier JVASP-867?", "refer_dataset": "table68", "column names": ["bulk_energy", "jid", "ff_vac"], "condition_column": ["bulk_energy", "jid"], "answer_column": ["ff_vac"], "condition": {"bulk_energy": "60.7932", "jid": "JVASP-867"}, "tool": "search_value", "answer": {"ff_vac": "['Cu,4,1.276']"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What are the vacancy formation factors for the material with bulk energy {} and job identifier {}?"}
{"question": "How many distinct elements are in the material with composition Ba2La6Co8O24?", "refer_dataset": "table35", "column names": ["Material Composition", "Number of elements"], "condition_column": ["Material Composition"], "answer_column": ["Number of elements"], "condition": {"Material Composition": "Ba2La6Co8O24"}, "tool": "search_value", "answer": {"Number of elements": "4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many distinct elements are in the material with composition {}?"}
{"question": "What is the Base element present in the Composition BeBe?", "refer_dataset": "table24", "column names": ["Composition", "Base"], "condition_column": ["Composition"], "answer_column": ["Base"], "condition": {"Composition": "BeBe"}, "tool": "search_value", "answer": {"Base": "Be"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Base element present in the Composition {}?"}
{"question": "For a system with a final energy of -385.24643015 and a band alignment offset of -0.5775227899807884, what is the valence band maximum (VBM)?", "refer_dataset": "table52", "column names": ["final_energy", "offset", "optb88vdw_vbm"], "condition_column": ["final_energy", "offset"], "answer_column": ["optb88vdw_vbm"], "condition": {"final_energy": "-385.24643015", "offset": "-0.5775227899807884"}, "tool": "search_value", "answer": {"optb88vdw_vbm": "7.1887"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a system with a final energy of {} and a band alignment offset of {}, what is the valence band maximum (VBM)?"}
{"question": "What surface area (m²/g) corresponds to primary element A In and substitution element A1 Sr?", "refer_dataset": "table4", "column names": ["A", "A1", "Surface Area(m2/g)"], "condition_column": ["A", "A1"], "answer_column": ["Surface Area(m2/g)"], "condition": {"A": "In", "A1": "Sr"}, "tool": "search_value", "answer": {"Surface Area(m2/g)": "1.71"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What surface area (m²/g) corresponds to primary element A {} and substitution element A1 {}?"}
{"question": "What is the shear modulus (G) of the material with job ID JVASP-86726?", "refer_dataset": "table47", "column names": ["jid", "shear_modulus_gv"], "condition_column": ["jid"], "answer_column": ["shear_modulus_gv"], "condition": {"jid": "JVASP-86726"}, "tool": "search_value", "answer": {"shear_modulus_gv": "na"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the shear modulus (G) of the material with job ID {}?"}
{"question": "What is the total energy per atom for the material with source ID mp-582549 and a bandgap of 2.2099?", "refer_dataset": "table67", "column names": ["source_id", "bandgap", "energy_per_atom"], "condition_column": ["source_id", "bandgap"], "answer_column": ["energy_per_atom"], "condition": {"source_id": "mp-582549", "bandgap": "2.2099"}, "tool": "search_value", "answer": {"energy_per_atom": "-4.691438198571428"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total energy per atom for the material with source ID {} and a bandgap of {}?"}
{"question": "What is the total magnetization of the material classified as oxide oxide with ICSD ID [251000]?", "refer_dataset": "table55", "column names": ["oxide_type", "icsd_ids", "total_magnetization"], "condition_column": ["oxide_type", "icsd_ids"], "answer_column": ["total_magnetization"], "condition": {"oxide_type": "oxide", "icsd_ids": "[251000]"}, "tool": "search_value", "answer": {"total_magnetization": "3.826134"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total magnetization of the material classified as {} oxide with ICSD ID {}?"}
{"question": "What gamma prime phase size (nm) results from a Cobalt content of 80.0%, Nickel content of 0.0%, and aging at 800.0°C for 4.0 hours?", "refer_dataset": "table39", "column names": ["Co", "Ni", "时效温度T (℃)", "时效时间t (h)", "γ＇相尺寸 (nm)"], "condition_column": ["Co", "Ni", "时效温度T (℃)", "时效时间t (h)"], "answer_column": ["γ＇相尺寸 (nm)"], "condition": {"Co": "80.0", "Ni": "0.0", "时效温度T (℃)": "800.0", "时效时间t (h)": "4.0"}, "tool": "search_value", "answer": {"γ＇相尺寸 (nm)": "10.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What gamma prime phase size (nm) results from a Cobalt content of {}%, Nickel content of {}%, and aging at {}°C for {} hours?"}
{"question": "Where is the file stored for the material with prototype structure identifier A_11_spg194?", "refer_dataset": "table44", "column names": ["prototype_id", "location"], "condition_column": ["prototype_id"], "answer_column": ["location"], "condition": {"prototype_id": "A_11_spg194"}, "tool": "search_value", "answer": {"location": "extra/batch-002/Ac/Ac/xxx_02a-00_agm003157511_spg194"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Where is the file stored for the material with prototype structure identifier {}?"}
{"question": "Determine the reaction temperature needed for a catalyst with primary cation 78.0 and secondary anion 0.0 to achieve a C₂ selectivity abbreviation of 1.3.", "refer_dataset": "table20", "column names": ["Cation1", "Anion2", "C2selec", "Temperature"], "condition_column": ["Cation1", "Anion2", "C2selec"], "answer_column": ["Temperature"], "condition": {"Cation1": "78.0", "Anion2": "0.0", "C2selec": "1.3"}, "tool": "search_value", "answer": {"Temperature": "1073.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the reaction temperature needed for a catalyst with primary cation {} and secondary anion {} to achieve a C₂ selectivity abbreviation of {}."}
{"question": "What is the hydrothermal method usage status (1=yes) for an article from NANO ENERGY (Journal) with 164 citations?", "refer_dataset": "table13", "column names": ["Journal_Name", "Cited_Time", "Judge_Hydrothermal"], "condition_column": ["Journal_Name", "Cited_Time"], "answer_column": ["Judge_Hydrothermal"], "condition": {"Journal_Name": "NANO ENERGY", "Cited_Time": "164"}, "tool": "search_value", "answer": {"Judge_Hydrothermal": "1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the hydrothermal method usage status (1=yes) for an article from {} (Journal) with {} citations?"}
{"question": "How does pore volume (cm³/g) vary for materials with surface area 180.41 m²/g, pH 6.3, and illumination time 5 minutes?", "refer_dataset": "table6", "column names": ["Surface area (m2/g)", "pH", "Illumination time (min)", "Pore Volume (cm3/g)"], "condition_column": ["Surface area (m2/g)", "pH", "Illumination time (min)"], "answer_column": ["Pore Volume (cm3/g)"], "condition": {"Surface area (m2/g)": "180.41", "pH": "6.3", "Illumination time (min)": "5"}, "tool": "search_value", "answer": {"Pore Volume (cm3/g)": "0.32"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How does pore volume (cm³/g) vary for materials with surface area {} m²/g, pH {}, and illumination time {} minutes?"}
{"question": "Which catalyst composition corresponds to reaction conditions {'Reaction': 'CO2methanation', 'Temperature': '250oC', 'Pressure': '1atm', 'FlowGasComposition': '10%CO2,40%H2,5%N2,45%He', 'GasFlowrate': '50mL/min', 'GHSV': 'nodata', 'Catalystmass': '100mg', 'TOF': 'nodata', 'Conversion': 'nodata', 'Selectivity': '96,7%', 'Yield': 'nodata', 'Article': 'IsolatedPlatinumAtomsinNi/γ-Al2O3forSelectiveHydrogenationofCO2towardCH4', 'Id': ''}?", "refer_dataset": "table30", "column names": ["Reaction", "Catalyst"], "condition_column": ["Reaction"], "answer_column": ["Catalyst"], "condition": {"Reaction": "{'Reaction': 'CO2methanation', 'Temperature': '250oC', 'Pressure': '1atm', 'FlowGasComposition': '10%CO2,40%H2,5%N2,45%He', 'GasFlowrate': '50mL/min', 'GHSV': 'nodata', 'Catalystmass': '100mg', 'TOF': 'nodata', 'Conversion': 'nodata', 'Selectivity': '96,7%', 'Yield': 'nodata', 'Article': 'IsolatedPlatinumAtomsinNi/γ-Al2O3forSelectiveHydrogenationofCO2towardCH4', 'Id': ''}"}, "tool": "search_value", "answer": {"Catalyst": "6,6%NiPt(19:1)/Al2O3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which catalyst composition corresponds to reaction conditions {}?"}
{"question": "What is the report number for the paper submitted by Yue Hin Pong in the cond-mat.mes-hall category?", "refer_dataset": "table45", "column names": ["submitter", "categories", "report-no"], "condition_column": ["submitter", "categories"], "answer_column": ["report-no"], "condition": {"submitter": "Yue Hin Pong", "categories": "cond-mat.mes-hall"}, "tool": "search_value", "answer": {"report-no": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the report number for the paper submitted by {} in the {} category?"}
{"question": "Determine the electronic polarizability (alpha) for the molecule with SMILES notation O.", "refer_dataset": "table61", "column names": ["SMILES", "alpha"], "condition_column": ["SMILES"], "answer_column": ["alpha"], "condition": {"SMILES": "O"}, "tool": "search_value", "answer": {"alpha": "-8.43892288823109"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the electronic polarizability (alpha) for the molecule with SMILES notation {}."}
{"question": "For entry ID 7, what is the B3LYP Scharber Jsc value?", "refer_dataset": "table51", "column names": ["id", "b3lyp_scharber_jsc"], "condition_column": ["id"], "answer_column": ["b3lyp_scharber_jsc"], "condition": {"id": "7"}, "tool": "search_value", "answer": {"b3lyp_scharber_jsc": "49.2884633879"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For entry ID {}, what is the B3LYP Scharber Jsc value?"}
{"question": "What is the enthalpy (H) of a material with internal energy (U0) of -29.065597534179688 and zero-point vibrational energy 1.5077829360961914?", "refer_dataset": "table60", "column names": ["U0", "zpve", "H"], "condition_column": ["U0", "zpve"], "answer_column": ["H"], "condition": {"U0": "-29.065597534179688", "zpve": "1.5077829360961914"}, "tool": "search_value", "answer": {"H": "-29.38081359863281"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the enthalpy (H) of a material with internal energy (U0) of {} and zero-point vibrational energy {}?"}
{"question": "What is the Gibbs free energy (G) of the molecule with the optimized structure N?", "refer_dataset": "table61", "column names": ["SMILES_relaxed", "G"], "condition_column": ["SMILES_relaxed"], "answer_column": ["G"], "condition": {"SMILES_relaxed": "N"}, "tool": "search_value", "answer": {"G": "6.27417471410908"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Gibbs free energy (G) of the molecule with the optimized structure {}?"}
{"question": "Given the optimized structure CC (SMILES_relaxed) and a Gibbs free energy (G) of 4.59587971770934, what is its primary vibrational frequency (omega1)?", "refer_dataset": "table61", "column names": ["SMILES_relaxed", "G", "omega1"], "condition_column": ["SMILES_relaxed", "G"], "answer_column": ["omega1"], "condition": {"SMILES_relaxed": "CC", "G": "4.59587971770934"}, "tool": "search_value", "answer": {"omega1": "-1.47087300321446"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given the optimized structure {} (SMILES_relaxed) and a Gibbs free energy (G) of {}, what is its primary vibrational frequency (omega1)?"}
{"question": "Which chemical formula has a formula_energy value of I2Sr?", "refer_dataset": "table64", "column names": ["formula", "formula_energy"], "condition_column": ["formula"], "answer_column": ["formula_energy"], "condition": {"formula": "I2Sr"}, "tool": "search_value", "answer": {"formula_energy": "-1.96230178667"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which chemical formula has a formula_energy value of {}?"}
{"question": "Report the ID of the material characterized by formula La1.85Ca0.989Sr0.161Cu2O5.93 and Tc 13.0.", "refer_dataset": "table65", "column names": ["formula", "Tc", "id"], "condition_column": ["formula", "Tc"], "answer_column": ["id"], "condition": {"formula": "La1.85Ca0.989Sr0.161Cu2O5.93", "Tc": "13.0"}, "tool": "search_value", "answer": {"id": "4837"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the ID of the material characterized by formula {} and Tc {}."}
{"question": "What potential was applied to the element -O-Si to generate shear modulus (Voigt) results of 56.11533333333333?", "refer_dataset": "table53", "column names": ["search", "gv", "func"], "condition_column": ["search", "gv"], "answer_column": ["func"], "condition": {"search": "-O-Si", "gv": "56.11533333333333"}, "tool": "search_value", "answer": {"func": "ffield.comb"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What potential was applied to the element {} to generate shear modulus (Voigt) results of {}?"}
{"question": "What is the lanthanide ion concentration in solution for the compound with CIF filename 4301918.cif and publication year 2009?", "refer_dataset": "table34", "column names": ["CIF_file_name", "pub_year", "concentration"], "condition_column": ["CIF_file_name", "pub_year"], "answer_column": ["concentration"], "condition": {"CIF_file_name": "4301918.cif", "pub_year": "2009"}, "tool": "search_value", "answer": {"concentration": "100.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the lanthanide ion concentration in solution for the compound with CIF filename {} and publication year {}?"}
{"question": "What is the A-B property ratio (A_B) for a material with an A-site oxygen ionic radius/electronegativity value of 2.695?", "refer_dataset": "table37", "column names": ["A_O", "A_B"], "condition_column": ["A_O"], "answer_column": ["A_B"], "condition": {"A_O": "2.695"}, "tool": "search_value", "answer": {"A_B": "1.825"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the A-B property ratio (A_B) for a material with an A-site oxygen ionic radius/electronegativity value of {}?"}
{"question": "At what illumination time (min) was the pH maintained at 360?", "refer_dataset": "table6", "column names": ["Illumination time (min)", "pH"], "condition_column": ["Illumination time (min)"], "answer_column": ["pH"], "condition": {"Illumination time (min)": "360"}, "tool": "search_value", "answer": {"pH": "9.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what illumination time (min) was the pH maintained at {}?"}
{"question": "Which secondary metal (M2) is paired with the primary metal Er?", "refer_dataset": "table28", "column names": ["M1", "M2"], "condition_column": ["M1"], "answer_column": ["M2"], "condition": {"M1": "Er"}, "tool": "search_value", "answer": {"M2": "none"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which secondary metal (M2) is paired with the primary metal {}?"}
{"question": "Which space group is assigned to the material with the chemical formula Al4Cu9?", "refer_dataset": "table53", "column names": ["formula", "spg"], "condition_column": ["formula"], "answer_column": ["spg"], "condition": {"formula": "Al4Cu9"}, "tool": "search_value", "answer": {"spg": "P-43m"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which space group is assigned to the material with the chemical formula {}?"}
{"question": "Identify the decomposition phases for the material with formula Ac10(BiPb)3 and energy above hull of 0.01840078 eV.", "refer_dataset": "table44", "column names": ["formula", "e_above_hull", "decomposition"], "condition_column": ["formula", "e_above_hull"], "answer_column": ["decomposition"], "condition": {"formula": "Ac10(BiPb)3", "e_above_hull": "0.01840078"}, "tool": "search_value", "answer": {"decomposition": " Ac5Pb3  Ac  AcBi "}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the decomposition phases for the material with formula {} and energy above hull of {} eV."}
{"question": "What is the enthalpy (H) of a material with internal energy (U0) of -15.557185173034668 and zero-point vibrational energy 0.7239044904708862?", "refer_dataset": "table60", "column names": ["U0", "zpve", "H"], "condition_column": ["U0", "zpve"], "answer_column": ["H"], "condition": {"U0": "-15.557185173034668", "zpve": "0.7239044904708862"}, "tool": "search_value", "answer": {"H": "-15.710439682006836"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the enthalpy (H) of a material with internal energy (U0) of {} and zero-point vibrational energy {}?"}
{"question": "Determine the specific surface area (SSA) for a catalyst synthesized via method 3 and calcined at 400℃.", "refer_dataset": "table11", "column names": ["PM", "CT (℃)", "SSA (m2 g -1 )"], "condition_column": ["PM", "CT (℃)"], "answer_column": ["SSA (m2 g -1 )"], "condition": {"PM": "3", "CT (℃)": "400"}, "tool": "search_value", "answer": {"SSA (m2 g -1 )": "9.7"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the specific surface area (SSA) for a catalyst synthesized via method {} and calcined at {}℃."}
{"question": "What metal components are present in a catalyst with 107,3 m²/g BET surface area and reaction type methanation?", "refer_dataset": "table29", "column names": ["SBET(m2/g)", "ReactionType", "MetalPart"], "condition_column": ["SBET(m2/g)", "ReactionType"], "answer_column": ["MetalPart"], "condition": {"SBET(m2/g)": "107,3", "ReactionType": "methanation"}, "tool": "search_value", "answer": {"MetalPart": "NiPt"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What metal components are present in a catalyst with {} m²/g BET surface area and reaction type {}?"}
{"question": "If the B3LYP HOMO is -0.173, LUMO is -0.09, and gap is 0.083, what is the Scharber PCE?", "refer_dataset": "table51", "column names": ["b3lyp_homo", "b3lyp_lumo", "b3lyp_gap", "b3lyp_scharber_pce"], "condition_column": ["b3lyp_homo", "b3lyp_lumo", "b3lyp_gap"], "answer_column": ["b3lyp_scharber_pce"], "condition": {"b3lyp_homo": "-0.173", "b3lyp_lumo": "-0.09", "b3lyp_gap": "0.083"}, "tool": "search_value", "answer": {"b3lyp_scharber_pce": "0.437147007727"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If the B3LYP HOMO is {}, LUMO is {}, and gap is {}, what is the Scharber PCE?"}
{"question": "For a material that has a refractive index of 2.99 and a PBE mixing energy of 0.0 eV, what is the HSE mixing energy?", "refer_dataset": "table49", "column names": ["Ref_ind", "PBE_mix_energy", "HSE_mix_energy"], "condition_column": ["Ref_ind", "PBE_mix_energy"], "answer_column": ["HSE_mix_energy"], "condition": {"Ref_ind": "2.99", "PBE_mix_energy": "0.0"}, "tool": "search_value", "answer": {"HSE_mix_energy": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a material that has a refractive index of {} and a PBE mixing energy of {} eV, what is the HSE mixing energy?"}
{"question": "What is the space group symbol for the material with job ID JVASP-86097?", "refer_dataset": "table47", "column names": ["jid", "spg_symbol"], "condition_column": ["jid"], "answer_column": ["spg_symbol"], "condition": {"jid": "JVASP-86097"}, "tool": "search_value", "answer": {"spg_symbol": "Pm-3m"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the space group symbol for the material with job ID {}?"}
{"question": "Find the photocatalytic spillage metric for the material with job ID JVASP-76309 and magnetic moment 0.0?", "refer_dataset": "table48", "column names": ["jid", "magmom_oszicar", "spillage"], "condition_column": ["jid", "magmom_oszicar"], "answer_column": ["spillage"], "condition": {"jid": "JVASP-76309", "magmom_oszicar": "0.0"}, "tool": "search_value", "answer": {"spillage": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the photocatalytic spillage metric for the material with job ID {} and magnetic moment {}?"}
{"question": "For a catalyst with M3 element W, M4 (wt%) 0.0%, and CH4 conversion 16.3%, determine the ethylene yield.", "refer_dataset": "table26", "column names": ["M3", "M4 (wt%)", "CH4 Conv. (%)", "C2H4 yield (%)"], "condition_column": ["M3", "M4 (wt%)", "CH4 Conv. (%)"], "answer_column": ["C2H4 yield (%)"], "condition": {"M3": "W", "M4 (wt%)": "0.0", "CH4 Conv. (%)": "16.3"}, "tool": "search_value", "answer": {"C2H4 yield (%)": "6.3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a catalyst with M3 element {}, M4 (wt%) {}%, and CH4 conversion {}%, determine the ethylene yield."}
{"question": "What is the net formal charge for the OSDA molecule represented by C(CCCC[N+]12CCN(CC1)CC2)CCC[N+]12CCN(CC1)CC2?", "refer_dataset": "table41", "column names": ["osda smiles", "formal_charge"], "condition_column": ["osda smiles"], "answer_column": ["formal_charge"], "condition": {"osda smiles": "C(CCCC[N+]12CCN(CC1)CC2)CCC[N+]12CCN(CC1)CC2"}, "tool": "search_value", "answer": {"formal_charge": "2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the net formal charge for the OSDA molecule represented by {}?"}
{"question": "What is the chemical formula for the material containing the element -Cd-Te-Zn?", "refer_dataset": "table53", "column names": ["search", "formula"], "condition_column": ["search"], "answer_column": ["formula"], "condition": {"search": "-Cd-Te-Zn"}, "tool": "search_value", "answer": {"formula": "ZnCdTe2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula for the material containing the element {}?"}
{"question": "Determine the OptB88vdW-derived bandgap of the material with formula FeTe?", "refer_dataset": "table48", "column names": ["formula", "optb88vdw_bandgap"], "condition_column": ["formula"], "answer_column": ["optb88vdw_bandgap"], "condition": {"formula": "FeTe"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the OptB88vdW-derived bandgap of the material with formula {}?"}
{"question": "What is the formation energy of the material with composition Ba2Bi2Pr4Co8O24, Goldschmidt TF ionic contribution of 0.889057428541, and octahedral factor 0.378571428571?", "refer_dataset": "table37", "column names": ["Material Composition", "goldschmidt_TF_ionic", "octahedral_factor", "Formation_energy"], "condition_column": ["Material Composition", "goldschmidt_TF_ionic", "octahedral_factor"], "answer_column": ["Formation_energy"], "condition": {"Material Composition": "Ba2Bi2Pr4Co8O24", "goldschmidt_TF_ionic": "0.889057428541", "octahedral_factor": "0.378571428571"}, "tool": "search_value", "answer": {"Formation_energy": "-1.31186258471"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy of the material with composition {}, Goldschmidt TF ionic contribution of {}, and octahedral factor {}?"}
{"question": "What is the unique identifier (id) of a material with formula BeC2, shear modulus 44.73353525702305, and elastic anisotropy 8.654623323725955?", "refer_dataset": "table54", "column names": ["formula", "shear modulus", "elastic anisotropy", "id"], "condition_column": ["formula", "shear modulus", "elastic anisotropy"], "answer_column": ["id"], "condition": {"formula": "BeC2", "shear modulus": "44.73353525702305", "elastic anisotropy": "8.654623323725955"}, "tool": "search_value", "answer": {"id": "mp-1001023"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unique identifier (id) of a material with formula {}, shear modulus {}, and elastic anisotropy {}?"}
{"question": "Determine the formation energy (eV/atom) of the compound with material composition Ba2Ho6Fe8O24.", "refer_dataset": "table35", "column names": ["Material Composition", "formation_energy (eV/atom)"], "condition_column": ["Material Composition"], "answer_column": ["formation_energy (eV/atom)"], "condition": {"Material Composition": "Ba2Ho6Fe8O24"}, "tool": "search_value", "answer": {"formation_energy (eV/atom)": "-1.73064690171"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the formation energy (eV/atom) of the compound with material composition {}."}
{"question": "Find the density of states at Fermi level for the material with prototype A_18_spg225 and elements ['Ac']?", "refer_dataset": "table44", "column names": ["prototype_id", "elements", "dos_ef"], "condition_column": ["prototype_id", "elements"], "answer_column": ["dos_ef"], "condition": {"prototype_id": "A_18_spg225", "elements": "['Ac']"}, "tool": "search_value", "answer": {"dos_ef": "1.9617075"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the density of states at Fermi level for the material with prototype {} and elements {}?"}
{"question": "What is the formation energy of the material with composition Ba2Dy6Fe8O24, Goldschmidt TF ionic contribution of 0.916519174076, and octahedral factor 0.452857142857?", "refer_dataset": "table37", "column names": ["Material Composition", "goldschmidt_TF_ionic", "octahedral_factor", "Formation_energy"], "condition_column": ["Material Composition", "goldschmidt_TF_ionic", "octahedral_factor"], "answer_column": ["Formation_energy"], "condition": {"Material Composition": "Ba2Dy6Fe8O24", "goldschmidt_TF_ionic": "0.916519174076", "octahedral_factor": "0.452857142857"}, "tool": "search_value", "answer": {"Formation_energy": "-1.74680618871"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy of the material with composition {}, Goldschmidt TF ionic contribution of {}, and octahedral factor {}?"}
{"question": "Find the Pauling electronegativity of element B (χpb) in Bi0.5Na0.5TiO3.", "refer_dataset": "table3", "column names": ["Materials", "χpb"], "condition_column": ["Materials"], "answer_column": ["χpb"], "condition": {"Materials": "Bi0.5Na0.5TiO3"}, "tool": "search_value", "answer": {"χpb": "1.54"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Pauling electronegativity of element B (χpb) in {}."}
{"question": "What is the tertiary metal (M3) in the catalyst with primary metal Zn and methane conversion efficiency of 37.87889305%?", "refer_dataset": "table21", "column names": ["M1", "CH4 conversion (%)", "M3"], "condition_column": ["M1", "CH4 conversion (%)"], "answer_column": ["M3"], "condition": {"M1": "Zn", "CH4 conversion (%)": "37.87889305"}, "tool": "search_value", "answer": {"M3": "Hf"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tertiary metal (M3) in the catalyst with primary metal {} and methane conversion efficiency of {}%?"}
{"question": "What is the indirect band gap energy (eV) of the material located at extra/batch-3000/Ac/Ac/xxx_02a-00_agm004141649_spg227?", "refer_dataset": "table44", "column names": ["location", "band_gap_ind"], "condition_column": ["location"], "answer_column": ["band_gap_ind"], "condition": {"location": "extra/batch-3000/Ac/Ac/xxx_02a-00_agm004141649_spg227"}, "tool": "search_value", "answer": {"band_gap_ind": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the indirect band gap energy (eV) of the material located at {}?"}
{"question": "What PBE mixing energy is associated with the perovskite material Perov-10?", "refer_dataset": "table49", "column names": ["id", "PBE_mix_energy"], "condition_column": ["id"], "answer_column": ["PBE_mix_energy"], "condition": {"id": "Perov-10"}, "tool": "search_value", "answer": {"PBE_mix_energy": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What PBE mixing energy is associated with the perovskite material {}?"}
{"question": "Determine the cycle3 measurement for the perovskite material HTiTaO5", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "cycle3"], "condition_column": ["Full Name of Perovskite"], "answer_column": ["cycle3"], "condition": {"Full Name of Perovskite": "HTiTaO5"}, "tool": "search_value", "answer": {"cycle3": "243.3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the cycle3 measurement for the perovskite material {}"}
{"question": "What reaction type is associated with the catalyst with metal ratio Ni:Pt=1:1?", "refer_dataset": "table29", "column names": ["MetalRatio", "ReactionType"], "condition_column": ["MetalRatio"], "answer_column": ["ReactionType"], "condition": {"MetalRatio": "Ni:Pt=1:1"}, "tool": "search_value", "answer": {"ReactionType": "methanation"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reaction type is associated with the catalyst with metal ratio {}?"}
{"question": "What is the Eg(eV) value for a photocatalyst calcined at 2.2 K?", "refer_dataset": "table1", "column names": ["Eg(eV)", "Calcination temperature(K)"], "condition_column": ["Eg(eV)"], "answer_column": ["Calcination temperature(K)"], "condition": {"Eg(eV)": "2.2"}, "tool": "search_value", "answer": {"Calcination temperature(K)": "1423.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Eg(eV) value for a photocatalyst calcined at {} K?"}
{"question": "Identify the thermodynamic stability of materials where delta_e is 0.22691826560345.", "refer_dataset": "table57", "column names": ["_oqmd_delta_e", "_oqmd_stability"], "condition_column": ["_oqmd_delta_e"], "answer_column": ["_oqmd_stability"], "condition": {"_oqmd_delta_e": "0.22691826560345"}, "tool": "search_value", "answer": {"_oqmd_stability": "0.22691826560345"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the thermodynamic stability of materials where delta_e is {}."}
{"question": "Determine the COₓ selectivity at a methane partial pressure of 0.68.", "refer_dataset": "table20", "column names": ["CH4-pressure", "COx"], "condition_column": ["CH4-pressure"], "answer_column": ["COx"], "condition": {"CH4-pressure": "0.68"}, "tool": "search_value", "answer": {"COx": "94.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the COₓ selectivity at a methane partial pressure of {}."}
{"question": "Which space group symbol corresponds to space group number 143?", "refer_dataset": "table48", "column names": ["spg_number", "spg_symbol"], "condition_column": ["spg_number"], "answer_column": ["spg_symbol"], "condition": {"spg_number": "143"}, "tool": "search_value", "answer": {"spg_symbol": "P3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which space group symbol corresponds to space group number {}?"}
{"question": "What is the argon partial pressure (atm) in tests achieving a methane conversion of 25.0%?", "refer_dataset": "table23", "column names": ["CH4 conversion (%)", "PAr (atm)"], "condition_column": ["CH4 conversion (%)"], "answer_column": ["PAr (atm)"], "condition": {"CH4 conversion (%)": "25.0"}, "tool": "search_value", "answer": {"PAr (atm)": "0.15"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the argon partial pressure (atm) in tests achieving a methane conversion of {}%?"}
{"question": "Determine the argon partial pressure (atm) when using Support MgO and M2 Tb to achieve 8.6% C₂ yield.", "refer_dataset": "table23", "column names": ["Support", "M2", "C2 yield (%)", "PAr (atm)"], "condition_column": ["Support", "M2", "C2 yield (%)"], "answer_column": ["PAr (atm)"], "condition": {"Support": "MgO", "M2": "Tb", "C2 yield (%)": "8.6"}, "tool": "search_value", "answer": {"PAr (atm)": "0.15"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the argon partial pressure (atm) when using Support {} and M2 {} to achieve {}% C₂ yield."}
{"question": "Find the surface valence band maximum (surf_vbm) for the material BaGaSb.", "refer_dataset": "table66", "column names": ["formula", "surf_vbm"], "condition_column": ["formula"], "answer_column": ["surf_vbm"], "condition": {"formula": "BaGaSb"}, "tool": "search_value", "answer": {"surf_vbm": "0.4946"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the surface valence band maximum (surf_vbm) for the material {}."}
{"question": "For materials using Base Be and Composition BeB, what is the Reaction energy (ReactionE)?", "refer_dataset": "table24", "column names": ["Base", "Composition", "ReactionE"], "condition_column": ["Base", "Composition"], "answer_column": ["ReactionE"], "condition": {"Base": "Be", "Composition": "BeB"}, "tool": "search_value", "answer": {"ReactionE": "-0.1687564622"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For materials using Base {} and Composition {}, what is the Reaction energy (ReactionE)?"}
{"question": "What is the OptB88vdW bandgap for the material with formula SrFeO3?", "refer_dataset": "table47", "column names": ["formula", "optb88vdw_bandgap"], "condition_column": ["formula"], "answer_column": ["optb88vdw_bandgap"], "condition": {"formula": "SrFeO3"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the OptB88vdW bandgap for the material with formula {}?"}
{"question": "Which primary anion X is present in materials with a surface area of 9.5 m²/g?", "refer_dataset": "table4", "column names": ["Surface Area(m2/g)", "X"], "condition_column": ["Surface Area(m2/g)"], "answer_column": ["X"], "condition": {"Surface Area(m2/g)": "9.5"}, "tool": "search_value", "answer": {"X": "O"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which primary anion X is present in materials with a surface area of {} m²/g?"}
{"question": "Find the M4 element in catalysts with O2 conversion 53.0%, M3 (wt%) 3.0%, and support BaO?", "refer_dataset": "table26", "column names": ["O2 Conv. (%)", "M3 (wt%)", "Support", "M4"], "condition_column": ["O2 Conv. (%)", "M3 (wt%)", "Support"], "answer_column": ["M4"], "condition": {"O2 Conv. (%)": "53.0", "M3 (wt%)": "3.0", "Support": "BaO"}, "tool": "search_value", "answer": {"M4": "none"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the M4 element in catalysts with O2 conversion {}%, M3 (wt%) {}%, and support {}?"}
{"question": "What is the numerical identifier (name) of the compound with Job ID cc-0 and InChI identifier InChI=1S/H6N2/c1-3-2/h1H2,2H3?", "refer_dataset": "table46", "column names": ["jid", "inchi", "name"], "condition_column": ["jid", "inchi"], "answer_column": ["name"], "condition": {"jid": "cc-0", "inchi": "InChI=1S/H6N2/c1-3-2/h1H2,2H3"}, "tool": "search_value", "answer": {"name": "0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the numerical identifier (name) of the compound with Job ID {} and InChI identifier {}?"}
{"question": "How much magnetic moment (mu_b) does the material with formula Mo3P exhibit?", "refer_dataset": "table56", "column names": ["formula", "mu_b"], "condition_column": ["formula"], "answer_column": ["mu_b"], "condition": {"formula": "Mo3P"}, "tool": "search_value", "answer": {"mu_b": "5.6e-06"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How much magnetic moment (mu_b) does the material with formula {} exhibit?"}
{"question": "For an MOF with CO₂ absolute adsorption of [0.354776, 1.0731600000000001, 1.89273, 4.43878, 11.2144] and surface area 3087.3 m²/g, what is its ID if the pressure is [0.01, 0.05, 0.1, 0.5, 2.5] bar?", "refer_dataset": "table50", "column names": ["co2_absp", "surface_area_m2g", "co2_pressures", "id"], "condition_column": ["co2_absp", "surface_area_m2g", "co2_pressures"], "answer_column": ["id"], "condition": {"co2_absp": "[0.354776, 1.0731600000000001, 1.89273, 4.43878, 11.2144]", "surface_area_m2g": "3087.3", "co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "tool": "search_value", "answer": {"id": "hMOF-5024984"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For an MOF with CO₂ absolute adsorption of {} and surface area {} m²/g, what is its ID if the pressure is {} bar?"}
{"question": "Find the number of atoms in the structure with a space group symbol of Fmmm, indirect band gap of 0.0, and source folder '/rk2/knc6/UniveralTB/julia_data/Li_kspace/POSCAR_As_ortho_vnscf_vol_3'?", "refer_dataset": "table59", "column names": ["spacegroup_symbol", "indir_gap", "source_folder", "natoms"], "condition_column": ["spacegroup_symbol", "indir_gap", "source_folder"], "answer_column": ["natoms"], "condition": {"spacegroup_symbol": "Fmmm", "indir_gap": "0.0", "source_folder": "'/rk2/knc6/UniveralTB/julia_data/Li_kspace/POSCAR_As_ortho_vnscf_vol_3'"}, "tool": "search_value", "answer": {"natoms": "4"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the number of atoms in the structure with a space group symbol of {}, indirect band gap of {}, and source folder {}?"}
{"question": "What initial concentration (mg/L) of Benzoic acid correlates with reference 1.0?", "refer_dataset": "table9", "column names": ["OC", "C0, mg/L", "Ref"], "condition_column": ["OC", "C0, mg/L"], "answer_column": ["Ref"], "condition": {"OC": "Benzoic acid", "C0, mg/L": "1.0"}, "tool": "search_value", "answer": {"Ref": "17"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What initial concentration (mg/L) of {} correlates with reference {}?"}
{"question": "What axial distortion value is reported for the compound [Pc2Tb]TBA:[Pc2Y]TBA = 1/50 in the LnPc2 chemical family?", "refer_dataset": "table34", "column names": ["compound", "chemical_family", "axial_distortion"], "condition_column": ["compound", "chemical_family"], "answer_column": ["axial_distortion"], "condition": {"compound": "[Pc2Tb]TBA:[Pc2Y]TBA = 1/50", "chemical_family": "LnPc2"}, "tool": "search_value", "answer": {"axial_distortion": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What axial distortion value is reported for the compound {} in the {} chemical family?"}
{"question": "How many times has the article with DOI 10.1002/cctc.202001343 been cited?", "refer_dataset": "table13", "column names": ["DOI", "Cited_Time"], "condition_column": ["DOI"], "answer_column": ["Cited_Time"], "condition": {"DOI": "10.1002/cctc.202001343"}, "tool": "search_value", "answer": {"Cited_Time": "5"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many times has the article with DOI {} been cited?"}
{"question": "What reaction conditions are specified for the catalyst 6,6%NiPt(19:1)/Al2O3?", "refer_dataset": "table30", "column names": ["Catalyst", "Reaction"], "condition_column": ["Catalyst"], "answer_column": ["Reaction"], "condition": {"Catalyst": "6,6%NiPt(19:1)/Al2O3"}, "tool": "search_value", "answer": {"Reaction": "{'Reaction': 'CO2methanation', 'Temperature': '250oC', 'Pressure': '1atm', 'FlowGasComposition': '10%CO2,40%H2,5%N2,45%He', 'GasFlowrate': '50mL/min', 'GHSV': 'nodata', 'Catalystmass': '100mg', 'TOF': 'nodata', 'Conversion': 'nodata', 'Selectivity': '96,7%', 'Yield': 'nodata', 'Article': 'IsolatedPlatinumAtomsinNi/γ-Al2O3forSelectiveHydrogenationofCO2towardCH4', 'Id': ''}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reaction conditions are specified for the catalyst {}?"}
{"question": "Determine the cycle3 measurement for the perovskite material BaIn0.5Nb0.5O3", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "cycle3"], "condition_column": ["Full Name of Perovskite"], "answer_column": ["cycle3"], "condition": {"Full Name of Perovskite": "BaIn0.5Nb0.5O3"}, "tool": "search_value", "answer": {"cycle3": "-"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the cycle3 measurement for the perovskite material {}"}
{"question": "What is the maximum CO₂ adsorption capacity for the MOF with ID hMOF-5053949?", "refer_dataset": "table50", "column names": ["id", "max_co2_adsp"], "condition_column": ["id"], "answer_column": ["max_co2_adsp"], "condition": {"id": "hMOF-5053949"}, "tool": "search_value", "answer": {"max_co2_adsp": "3.79473"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the maximum CO₂ adsorption capacity for the MOF with ID {}?"}
{"question": "Find the heat capacity at constant volume (Cv) for the sample with identifier 7.", "refer_dataset": "table61", "column names": ["id", "Cv"], "condition_column": ["id"], "answer_column": ["Cv"], "condition": {"id": "7"}, "tool": "search_value", "answer": {"Cv": "-5.29133620516503"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the heat capacity at constant volume (Cv) for the sample with identifier {}."}
{"question": "Determine the molar mass (M) of a material with bandgap energy (Eg) of 3.6 eV.", "refer_dataset": "table2", "column names": ["Eg(eV)", "M"], "condition_column": ["Eg(eV)"], "answer_column": ["M"], "condition": {"Eg(eV)": "3.6"}, "tool": "search_value", "answer": {"M": "135.96"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the molar mass (M) of a material with bandgap energy (Eg) of {} eV."}
{"question": "Find the formation energy per atom for the Mg-F compound with 4 atoms, job ID JQE-10, and stress tensor [[0.01516131614936426, 0.0007414110692190034, 3.874201874344208e-06], [0.0007414110692184534, 0.015981255127541977, -2.2884875297685064e-06], [3.874201874344215e-06, -2.288487529768501e-06, 0.01745868369858433]]?", "refer_dataset": "table59", "column names": ["natoms", "jid", "stress", "f_enp"], "condition_column": ["natoms", "jid", "stress"], "answer_column": ["f_enp"], "condition": {"natoms": "4", "jid": "JQE-10", "stress": "[[0.01516131614936426, 0.0007414110692190034, 3.874201874344208e-06], [0.0007414110692184534, 0.015981255127541977, -2.2884875297685064e-06], [3.874201874344215e-06, -2.288487529768501e-06, 0.01745868369858433]]"}, "tool": "search_value", "answer": {"f_enp": "0.0607"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the formation energy per atom for the Mg-F compound with {} atoms, job ID {}, and stress tensor {}?"}
{"question": "What is the tolerance factor (t) when element A has a radius (Ra) of 135.0, element B has a radius (Rb) of 67.06, and the electronegativity of A (χpa) is 0.89?", "refer_dataset": "table2", "column names": ["Ra", "Rb", "χpa", "t"], "condition_column": ["Ra", "Rb", "χpa"], "answer_column": ["t"], "condition": {"Ra": "135.0", "Rb": "67.06", "χpa": "0.89"}, "tool": "search_value", "answer": {"t": "0.939"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tolerance factor (t) when element A has a radius (Ra) of {}, element B has a radius (Rb) of {}, and the electronegativity of A (χpa) is {}?"}
{"question": "At what temperature in Celsius (°C) is the magnetization 135.0 emu/cm³ observed?", "refer_dataset": "table32", "column names": ["emu/cm^3", "°C"], "condition_column": ["emu/cm^3"], "answer_column": ["°C"], "condition": {"emu/cm^3": "135.0"}, "tool": "search_value", "answer": {"°C": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what temperature in Celsius (°C) is the magnetization {} emu/cm³ observed?"}
{"question": "What is the hydrogen production rate (RH2) for the photocatalyst with molecular formula BaTi0.98Mo0.02O3?", "refer_dataset": "table1", "column names": ["Molecular formula", "RH2(µmol h-1 g-1)"], "condition_column": ["Molecular formula"], "answer_column": ["RH2(µmol h-1 g-1)"], "condition": {"Molecular formula": "BaTi0.98Mo0.02O3"}, "tool": "search_value", "answer": {"RH2(µmol h-1 g-1)": "63.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the hydrogen production rate (RH2) for the photocatalyst with molecular formula {}?"}
{"question": "Provide the entry date (date) for the COD CIF file 1000022?", "refer_dataset": "table38", "column names": ["file", "date"], "condition_column": ["file"], "answer_column": ["date"], "condition": {"file": "1000022"}, "tool": "search_value", "answer": {"date": "2023/3/26"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the entry date (date) for the COD CIF file {}?"}
{"question": "What catalyst weight concentration (g/L) corresponds to a surface area of 5.7 m²/g?", "refer_dataset": "table4", "column names": ["Surface Area(m2/g)", "CatW(g/L)"], "condition_column": ["Surface Area(m2/g)"], "answer_column": ["CatW(g/L)"], "condition": {"Surface Area(m2/g)": "5.7"}, "tool": "search_value", "answer": {"CatW(g/L)": "0.476"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What catalyst weight concentration (g/L) corresponds to a surface area of {} m²/g?"}
{"question": "Does experiment 4 include amino group functionalization (NH2)?", "refer_dataset": "table7", "column names": ["Exp", "NH2"], "condition_column": ["Exp"], "answer_column": ["NH2"], "condition": {"Exp": "4"}, "tool": "search_value", "answer": {"NH2": "none"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Does experiment {} include amino group functionalization (NH2)?"}
{"question": "Find the count of E atoms if element E has an atomic number of 8, the indirect bandgap is 0.0 eV, and the volume is 46.6334987319 ų.", "refer_dataset": "table22", "column names": ["E_AtomN", "Indirect_Band", "Volume", "En"], "condition_column": ["E_AtomN", "Indirect_Band", "Volume"], "answer_column": ["En"], "condition": {"E_AtomN": "8", "Indirect_Band": "0.0", "Volume": "46.6334987319"}, "tool": "search_value", "answer": {"En": "2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the count of E atoms if element E has an atomic number of {}, the indirect bandgap is {} eV, and the volume is {} ų."}
{"question": "Determine the atomic number of element E if material volume is 71.0530211546 ų, lattice parameter is 4.1418482485 Å, and element D is H.", "refer_dataset": "table22", "column names": ["Volume", "Lattice", "D", "E_AtomN"], "condition_column": ["Volume", "Lattice", "D"], "answer_column": ["E_AtomN"], "condition": {"Volume": "71.0530211546", "Lattice": "4.1418482485", "D": "H"}, "tool": "search_value", "answer": {"E_AtomN": "8"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the atomic number of element E if material volume is {} ų, lattice parameter is {} Å, and element D is {}."}
{"question": "What is the elastic tensor for a material with space group symbol P-3m1 and elemental search tags -Se-V?", "refer_dataset": "table47", "column names": ["spg_symbol", "search", "elastic_tensor"], "condition_column": ["spg_symbol", "search"], "answer_column": ["elastic_tensor"], "condition": {"spg_symbol": "P-3m1", "search": "-Se-V"}, "tool": "search_value", "answer": {"elastic_tensor": "[[136.4, 27.8, 17.5, 0.0, -5.5, 0.0], [27.8, 136.4, 17.5, 0.0, 5.5, 0.0], [17.5, 17.5, 40.7, 0.0, 0.0, 0.0], [0.0, 0.0, 0.0, 54.3, 0.0, -5.5], [-5.5, 5.5, 0.0, 0.0, 13.7, 0.0], [0.0, 0.0, 0.0, -5.5, 0.0, 13.7]]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the elastic tensor for a material with space group symbol {} and elemental search tags {}?"}
{"question": "Which element occupies the primary B site position in the compound Ba2Ca6Fe8O24?", "refer_dataset": "table35", "column names": ["Material Composition", "B site #1"], "condition_column": ["Material Composition"], "answer_column": ["B site #1"], "condition": {"Material Composition": "Ba2Ca6Fe8O24"}, "tool": "search_value", "answer": {"B site #1": "Fe"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which element occupies the primary B site position in the compound {}?"}
{"question": "What is the tolerance factor (Tol) of a perovskite where both PBE and HSE lattice constants are 5.62 Å and 5.7 Å, respectively?", "refer_dataset": "table49", "column names": ["PBE_latt_const", "HSE_latt_const", "Tol"], "condition_column": ["PBE_latt_const", "HSE_latt_const"], "answer_column": ["Tol"], "condition": {"PBE_latt_const": "5.62", "HSE_latt_const": "5.7"}, "tool": "search_value", "answer": {"Tol": "1.05"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tolerance factor (Tol) of a perovskite where both PBE and HSE lattice constants are {} Å and {} Å, respectively?"}
{"question": "What is the tolerance factor (t) of a material with a radius ratio (Ra/Rb) of 1.925?", "refer_dataset": "table2", "column names": ["Ra/Rb", "t"], "condition_column": ["Ra/Rb"], "answer_column": ["t"], "condition": {"Ra/Rb": "1.925"}, "tool": "search_value", "answer": {"t": "0.929"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tolerance factor (t) of a material with a radius ratio (Ra/Rb) of {}?"}
{"question": "What is the OptB88vdW bandgap of the material with job ID JVASP-22556 and Poisson ratio of na?", "refer_dataset": "table47", "column names": ["jid", "poisson", "optb88vdw_bandgap"], "condition_column": ["jid", "poisson"], "answer_column": ["optb88vdw_bandgap"], "condition": {"jid": "JVASP-22556", "poisson": "na"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the OptB88vdW bandgap of the material with job ID {} and Poisson ratio of {}?"}
{"question": "Which organic compound has an initial concentration of 10.0 mg/L under pH 5.0 and temperature 20°C?", "refer_dataset": "table9", "column names": ["C0, mg/L", "pH", "T, oC", "OC"], "condition_column": ["C0, mg/L", "pH", "T, oC"], "answer_column": ["OC"], "condition": {"C0, mg/L": "10.0", "pH": "5.0", "T, oC": "20"}, "tool": "search_value", "answer": {"OC": "Benzylparaben"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which organic compound has an initial concentration of {} mg/L under pH {} and temperature {}°C?"}
{"question": "What is the magnetic moment (mu_b) for ID mp-1001019 with shear modulus 20.0?", "refer_dataset": "table56", "column names": ["id", "shear modulus", "mu_b"], "condition_column": ["id", "shear modulus"], "answer_column": ["mu_b"], "condition": {"id": "mp-1001019", "shear modulus": "20.0"}, "tool": "search_value", "answer": {"mu_b": "0.0009920999999999"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the magnetic moment (mu_b) for ID {} with shear modulus {}?"}
{"question": "What is the tertiary metal (M3) in the catalyst with primary metal Zn and methane conversion efficiency of 13.42121103%?", "refer_dataset": "table21", "column names": ["M1", "CH4 conversion (%)", "M3"], "condition_column": ["M1", "CH4 conversion (%)"], "answer_column": ["M3"], "condition": {"M1": "Zn", "CH4 conversion (%)": "13.42121103"}, "tool": "search_value", "answer": {"M3": "Hf"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tertiary metal (M3) in the catalyst with primary metal {} and methane conversion efficiency of {}%?"}
{"question": "What is the total energy of a material in space group {'symprec': 0.1, 'source': 'spglib', 'symbol': 'Fm-3m', 'number': 225, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': '-F 4 2 3'} with elements ['Br', 'Cs', 'Cu', 'Sb']?", "refer_dataset": "table55", "column names": ["spacegroup", "elements", "energy"], "condition_column": ["spacegroup", "elements"], "answer_column": ["energy"], "condition": {"spacegroup": "{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Fm-3m', 'number': 225, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': '-F 4 2 3'}", "elements": "['Br', 'Cs', 'Cu', 'Sb']"}, "tool": "search_value", "answer": {"energy": "-30.26985269"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total energy of a material in space group {} with elements {}?"}
{"question": "Which support material is used for the catalyst containing the metal component Re?", "refer_dataset": "table29", "column names": ["MetalPart", "Support"], "condition_column": ["MetalPart"], "answer_column": ["Support"], "condition": {"MetalPart": "Re"}, "tool": "search_value", "answer": {"Support": "Ni"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which support material is used for the catalyst containing the metal component {}?"}
{"question": "What is the space group symbol for the material with job ID JVASP-86726?", "refer_dataset": "table47", "column names": ["jid", "spg_symbol"], "condition_column": ["jid"], "answer_column": ["spg_symbol"], "condition": {"jid": "JVASP-86726"}, "tool": "search_value", "answer": {"spg_symbol": "F-43m"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the space group symbol for the material with job ID {}?"}
{"question": "What is the space group symbol for the material with job ID JVASP-10?", "refer_dataset": "table47", "column names": ["jid", "spg_symbol"], "condition_column": ["jid"], "answer_column": ["spg_symbol"], "condition": {"jid": "JVASP-10"}, "tool": "search_value", "answer": {"spg_symbol": "P-3m1"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the space group symbol for the material with job ID {}?"}
{"question": "Find the entry ID(s) of materials with an energy difference from stability of 0.143944374353451.", "refer_dataset": "table57", "column names": ["_oqmd_delta_e", "_oqmd_entry_id"], "condition_column": ["_oqmd_delta_e"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_delta_e": "0.143944374353451"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "472977.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the entry ID(s) of materials with an energy difference from stability of {}."}
{"question": "What is the maximum CO₂ adsorption capacity for the MOF with ID hMOF-16554?", "refer_dataset": "table50", "column names": ["id", "max_co2_adsp"], "condition_column": ["id"], "answer_column": ["max_co2_adsp"], "condition": {"id": "hMOF-16554"}, "tool": "search_value", "answer": {"max_co2_adsp": "4.18618"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the maximum CO₂ adsorption capacity for the MOF with ID {}?"}
{"question": "Identify the DOI for the research paper number 2006_01 that includes the lanthanide ion Er3+.", "refer_dataset": "table34", "column names": ["paper_number", "Ln_ion", "DOI"], "condition_column": ["paper_number", "Ln_ion"], "answer_column": ["DOI"], "condition": {"paper_number": "2006_01", "Ln_ion": "Er3+"}, "tool": "search_value", "answer": {"DOI": "10.1080/15421400600698287"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the DOI for the research paper number {} that includes the lanthanide ion {}."}
{"question": "What is the Kramers status of the lanthanide ion in the compound with formula [Sm(FTA)3L] and CIF filename 7105469.cif?", "refer_dataset": "table34", "column names": ["compound", "CIF_file_name", "Ln_Kramers"], "condition_column": ["compound", "CIF_file_name"], "answer_column": ["Ln_Kramers"], "condition": {"compound": "[Sm(FTA)3L]", "CIF_file_name": "7105469.cif"}, "tool": "search_value", "answer": {"Ln_Kramers": "Kramers"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Kramers status of the lanthanide ion in the compound with formula {} and CIF filename {}?"}
{"question": "What is the Digital Object Identifier (DOI) for Sparsity-certifying Graph Decompositions?", "refer_dataset": "table45", "column names": ["title", "doi"], "condition_column": ["title"], "answer_column": ["doi"], "condition": {"title": "Sparsity-certifying Graph Decompositions"}, "tool": "search_value", "answer": {"doi": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Digital Object Identifier (DOI) for {}?"}
{"question": "Determine the optimal solvent percentage for Ca ion 80 mM, CO3 ion 50 mM, and stirring speed 0 rpm.", "refer_dataset": "table42", "column names": ["Ca ion, mM", "CO3 ion, mM", "Stirring, rpm", "Solvent, % vol."], "condition_column": ["Ca ion, mM", "CO3 ion, mM", "Stirring, rpm"], "answer_column": ["Solvent, % vol."], "condition": {"Ca ion, mM": "80", "CO3 ion, mM": "50", "Stirring, rpm": "0"}, "tool": "search_value", "answer": {"Solvent, % vol.": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the optimal solvent percentage for Ca ion {} mM, CO3 ion {} mM, and stirring speed {} rpm."}
{"question": "What is the energy gap (gap) for the material identified by 0.0?", "refer_dataset": "table60", "column names": ["id", "gap"], "condition_column": ["id"], "answer_column": ["gap"], "condition": {"id": "0.0"}, "tool": "search_value", "answer": {"gap": "13.736308097839355"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy gap (gap) for the material identified by {}?"}
{"question": "What is the enthalpy of formation at 298K (kJ/mol) for the compound with Job ID cc-11 and chemical formula NHCHNH2?", "refer_dataset": "table46", "column names": ["jid", "species", "enthalpy_formation_298K"], "condition_column": ["jid", "species"], "answer_column": ["enthalpy_formation_298K"], "condition": {"jid": "cc-11", "species": "NHCHNH2"}, "tool": "search_value", "answer": {"enthalpy_formation_298K": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the enthalpy of formation at 298K (kJ/mol) for the compound with Job ID {} and chemical formula {}?"}
{"question": "State the energy per atom for the material in space group {'symprec': 0.1, 'source': 'spglib', 'symbol': 'I4_132', 'number': 214, 'point_group': '432', 'crystal_system': 'cubic', 'hall': 'I 4bd 2c 3'}.", "refer_dataset": "table55", "column names": ["spacegroup", "energy_per_atom"], "condition_column": ["spacegroup"], "answer_column": ["energy_per_atom"], "condition": {"spacegroup": "{'symprec': 0.1, 'source': 'spglib', 'symbol': 'I4_132', 'number': 214, 'point_group': '432', 'crystal_system': 'cubic', 'hall': 'I 4bd 2c 3'}"}, "tool": "search_value", "answer": {"energy_per_atom": "-5.126818522857143"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "State the energy per atom for the material in space group {}."}
{"question": "How much elastic anisotropy does the material with the formula BaTe exhibit?", "refer_dataset": "table54", "column names": ["formula", "elastic anisotropy"], "condition_column": ["formula"], "answer_column": ["elastic anisotropy"], "condition": {"formula": "BaTe"}, "tool": "search_value", "answer": {"elastic anisotropy": "-5.154133360427776"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How much elastic anisotropy does the material with the formula {} exhibit?"}
{"question": "What is the chemical formula (species) of the compound with numerical identifier 11?", "refer_dataset": "table46", "column names": ["name", "species"], "condition_column": ["name"], "answer_column": ["species"], "condition": {"name": "11"}, "tool": "search_value", "answer": {"species": "NHCHNH2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula (species) of the compound with numerical identifier {}?"}
{"question": "What is the unit cell volume of the material with ID mp-1182541?", "refer_dataset": "table55", "column names": ["id", "volume"], "condition_column": ["id"], "answer_column": ["volume"], "condition": {"id": "mp-1182541"}, "tool": "search_value", "answer": {"volume": "884.6550343114402"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unit cell volume of the material with ID {}?"}
{"question": "What is the boiling temperature of component B (B_Tb) for the material LaFe0.85Ti0.15O3?", "refer_dataset": "table2", "column names": ["Materials", "B_Tb"], "condition_column": ["Materials"], "answer_column": ["B_Tb"], "condition": {"Materials": "LaFe0.85Ti0.15O3"}, "tool": "search_value", "answer": {"B_Tb": "2924.9"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the boiling temperature of component B (B_Tb) for the material {}?"}
{"question": "Find the density of element A (ρa) when the radius (Ra) is 103.348, ionization energy (I1a) is 6.927, and melting temperature (A_Tm) is 657.96.", "refer_dataset": "table2", "column names": ["Ra", "I1a", "A_Tm", "ρa"], "condition_column": ["Ra", "I1a", "A_Tm"], "answer_column": ["ρa"], "condition": {"Ra": "103.348", "I1a": "6.927", "A_Tm": "657.96"}, "tool": "search_value", "answer": {"ρa": "4.14"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the density of element A (ρa) when the radius (Ra) is {}, ionization energy (I1a) is {}, and melting temperature (A_Tm) is {}."}
{"question": "For the material with ID Perov-10, what is the tolerance factor (Tol)?", "refer_dataset": "table49", "column names": ["id", "Tol"], "condition_column": ["id"], "answer_column": ["Tol"], "condition": {"id": "Perov-10"}, "tool": "search_value", "answer": {"Tol": "0.937"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with ID {}, what is the tolerance factor (Tol)?"}
{"question": "Determine the crystal system of the Mg-F compound with a job identifier of JQE-208, an energy per atom of -1009.0561, and formation energy per atom of -3.0107?", "refer_dataset": "table59", "column names": ["jid", "energy_per_atom", "f_enp", "crystal_system"], "condition_column": ["jid", "energy_per_atom", "f_enp"], "answer_column": ["crystal_system"], "condition": {"jid": "JQE-208", "energy_per_atom": "-1009.0561", "f_enp": "-3.0107"}, "tool": "search_value", "answer": {"crystal_system": "hexagonal"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the crystal system of the Mg-F compound with a job identifier of {}, an energy per atom of {}, and formation energy per atom of {}?"}
{"question": "What gamma prime phase size (nm) results from a Cobalt content of 0.0%, Nickel content of 80.6%, and aging at 600.0°C for 1.0 hours?", "refer_dataset": "table39", "column names": ["Co", "Ni", "时效温度T (℃)", "时效时间t (h)", "γ＇相尺寸 (nm)"], "condition_column": ["Co", "Ni", "时效温度T (℃)", "时效时间t (h)"], "answer_column": ["γ＇相尺寸 (nm)"], "condition": {"Co": "0.0", "Ni": "80.6", "时效温度T (℃)": "600.0", "时效时间t (h)": "1.0"}, "tool": "search_value", "answer": {"γ＇相尺寸 (nm)": "0.89"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What gamma prime phase size (nm) results from a Cobalt content of {}%, Nickel content of {}%, and aging at {}°C for {} hours?"}
{"question": "What is the reaction energy (eV) for adsorbed carbon HCO* and hydrogen C* on surface -1?", "refer_dataset": "table18", "column names": ["b", "a", "surfaces", "reaction_energy"], "condition_column": ["b", "a", "surfaces"], "answer_column": ["reaction_energy"], "condition": {"b": "HCO*", "a": "C*", "surfaces": "-1"}, "tool": "search_value", "answer": {"reaction_energy": "-0.72"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the reaction energy (eV) for adsorbed carbon {} and hydrogen {} on surface {}?"}
{"question": "Determine the reaction energy (eV) for element Pd (atomic number 46) on surface -100.", "refer_dataset": "table18", "column names": ["AA", "A_AtimicN", "surfaces", "reaction_energy"], "condition_column": ["AA", "A_AtimicN", "surfaces"], "answer_column": ["reaction_energy"], "condition": {"AA": "Pd", "A_AtimicN": "46", "surfaces": "-100"}, "tool": "search_value", "answer": {"reaction_energy": "-0.07"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the reaction energy (eV) for element {} (atomic number {}) on surface {}."}
{"question": "What is the ID of the material with chemical formula 1197?", "refer_dataset": "table64", "column names": ["id", "formula"], "condition_column": ["id"], "answer_column": ["formula"], "condition": {"id": "1197"}, "tool": "search_value", "answer": {"formula": "Ho"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ID of the material with chemical formula {}?"}
{"question": "What is the secondary metal component in the catalyst with code 1-1 that achieved a C2 yield of 2.739859053%?", "refer_dataset": "table21", "column names": ["Code", "C2 yield (%)", "M2"], "condition_column": ["Code", "C2 yield (%)"], "answer_column": ["M2"], "condition": {"Code": "1-1", "C2 yield (%)": "2.739859053"}, "tool": "search_value", "answer": {"M2": "Mo"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary metal component in the catalyst with code {} that achieved a C2 yield of {}%?"}
{"question": "Report the enthalpy of fusion (ΔfusHa) for materials with EAa = 30.68 eV, ρb = 5.52 g/cm³, and Ra/Rb = 1.79.", "refer_dataset": "table3", "column names": ["EAa", "ρb", "Ra/Rb", "ΔfusHa"], "condition_column": ["EAa", "ρb", "Ra/Rb"], "answer_column": ["ΔfusHa"], "condition": {"EAa": "30.68", "ρb": "5.52", "Ra/Rb": "1.79"}, "tool": "search_value", "answer": {"ΔfusHa": "75.35"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the enthalpy of fusion (ΔfusHa) for materials with EAa = {} eV, ρb = {} g/cm³, and Ra/Rb = {}."}
{"question": "What is the Fermi energy level of the surface structure Surface-JVASP-7630_miller_1_1_0_thickness_16_VASP_PBE_noDP?", "refer_dataset": "table66", "column names": ["name", "efermi"], "condition_column": ["name"], "answer_column": ["efermi"], "condition": {"name": "Surface-JVASP-7630_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"efermi": "0.55853852"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Fermi energy level of the surface structure {}?"}
{"question": "What is the total energy of a material in space group {'symprec': 0.1, 'source': 'spglib', 'symbol': 'R3', 'number': 146, 'point_group': '3', 'crystal_system': 'trigonal', 'hall': 'R 3'} with elements ['Co', 'Mn', 'Ni', 'O', 'P']?", "refer_dataset": "table55", "column names": ["spacegroup", "elements", "energy"], "condition_column": ["spacegroup", "elements"], "answer_column": ["energy"], "condition": {"spacegroup": "{'symprec': 0.1, 'source': 'spglib', 'symbol': 'R3', 'number': 146, 'point_group': '3', 'crystal_system': 'trigonal', 'hall': 'R 3'}", "elements": "['Co', 'Mn', 'Ni', 'O', 'P']"}, "tool": "search_value", "answer": {"energy": "-242.97998443"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total energy of a material in space group {} with elements {}?"}
{"question": "Determine the molar mass (M) of a material with bandgap energy (Eg) of 2.2 eV.", "refer_dataset": "table2", "column names": ["Eg(eV)", "M"], "condition_column": ["Eg(eV)"], "answer_column": ["M"], "condition": {"Eg(eV)": "2.2"}, "tool": "search_value", "answer": {"M": "234.14"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the molar mass (M) of a material with bandgap energy (Eg) of {} eV."}
{"question": "What is the atomic radius of element A (Ra) in the material Sr0.8Bi0.2Ti0.8Fe0.2O3?", "refer_dataset": "table3", "column names": ["Materials", "Ra"], "condition_column": ["Materials"], "answer_column": ["Ra"], "condition": {"Materials": "Sr0.8Bi0.2Ti0.8Fe0.2O3"}, "tool": "search_value", "answer": {"Ra": "115.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the atomic radius of element A (Ra) in the material {}?"}
{"question": "Determine the final simulation energy for the surface structure named Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP.", "refer_dataset": "table66", "column names": ["name", "final_energy"], "condition_column": ["name"], "answer_column": ["final_energy"], "condition": {"name": "Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"final_energy": "-47.90233721"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the final simulation energy for the surface structure named {}."}
{"question": "Determine the formation energy (eV/atom) of the compound with material composition Ba2Ca6Fe8O24.", "refer_dataset": "table35", "column names": ["Material Composition", "formation_energy (eV/atom)"], "condition_column": ["Material Composition"], "answer_column": ["formation_energy (eV/atom)"], "condition": {"Material Composition": "Ba2Ca6Fe8O24"}, "tool": "search_value", "answer": {"formation_energy (eV/atom)": "-1.43560727421"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the formation energy (eV/atom) of the compound with material composition {}."}
{"question": "What is the main product when using the catalyst 16,1%NiPt(1:3)/Al2O3?", "refer_dataset": "table30", "column names": ["Catalyst", "Mainproduct"], "condition_column": ["Catalyst"], "answer_column": ["Mainproduct"], "condition": {"Catalyst": "16,1%NiPt(1:3)/Al2O3"}, "tool": "search_value", "answer": {"Mainproduct": "CH4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the main product when using the catalyst {}?"}
{"question": "What is the C₂ hydrocarbon selectivity when the primary anion is 0.0, secondary cation is 0.0, and temperature is 744.0?", "refer_dataset": "table20", "column names": ["Anion1", "Cation2", "Temperature", "C2-selectivity"], "condition_column": ["Anion1", "Cation2", "Temperature"], "answer_column": ["C2-selectivity"], "condition": {"Anion1": "0.0", "Cation2": "0.0", "Temperature": "744.0"}, "tool": "search_value", "answer": {"C2-selectivity": "24.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the C₂ hydrocarbon selectivity when the primary anion is {}, secondary cation is {}, and temperature is {}?"}
{"question": "What entry ID corresponds to a material with band gap 0.0, delta_e -0.0561393731465509, and stability 0.0824087898624003?", "refer_dataset": "table57", "column names": ["_oqmd_band_gap", "_oqmd_delta_e", "_oqmd_stability", "_oqmd_entry_id"], "condition_column": ["_oqmd_band_gap", "_oqmd_delta_e", "_oqmd_stability"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_band_gap": "0.0", "_oqmd_delta_e": "-0.0561393731465509", "_oqmd_stability": "0.0824087898624003"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "472981.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What entry ID corresponds to a material with band gap {}, delta_e {}, and stability {}?"}
{"question": "What is the DOI for the paper authored by Y. H. Pong and C. K. Law and categorized under cond-mat.mes-hall?", "refer_dataset": "table45", "column names": ["authors", "categories", "doi"], "condition_column": ["authors", "categories"], "answer_column": ["doi"], "condition": {"authors": "Y. H. Pong and C. K. Law", "categories": "cond-mat.mes-hall"}, "tool": "search_value", "answer": {"doi": "10.1103/PhysRevA.75.043613"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the DOI for the paper authored by {} and categorized under {}?"}
{"question": "What is the adsorbed hydrogen (H*) identifier for species CHO*?", "refer_dataset": "table18", "column names": ["a", "a_key"], "condition_column": ["a"], "answer_column": ["a_key"], "condition": {"a": "CHO*"}, "tool": "search_value", "answer": {"a_key": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the adsorbed hydrogen (H*) identifier for species {}?"}
{"question": "Find the HSE band gap energy (hse_gap) for the material with ID 4.2168.", "refer_dataset": "table58", "column names": ["hse_gap", "id"], "condition_column": ["hse_gap"], "answer_column": ["id"], "condition": {"hse_gap": "4.2168"}, "tool": "search_value", "answer": {"id": "766"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the HSE band gap energy (hse_gap) for the material with ID {}."}
{"question": "What entry ID corresponds to a material with band gap 0.0, delta_e 0.22691826560345, and stability 0.22691826560345?", "refer_dataset": "table57", "column names": ["_oqmd_band_gap", "_oqmd_delta_e", "_oqmd_stability", "_oqmd_entry_id"], "condition_column": ["_oqmd_band_gap", "_oqmd_delta_e", "_oqmd_stability"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_band_gap": "0.0", "_oqmd_delta_e": "0.22691826560345", "_oqmd_stability": "0.22691826560345"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "472984.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What entry ID corresponds to a material with band gap {}, delta_e {}, and stability {}?"}
{"question": "What is the electronic spatial extent (r2) for a material with dipole moment of 0.7156000137329102?", "refer_dataset": "table60", "column names": ["mu", "r2"], "condition_column": ["mu"], "answer_column": ["r2"], "condition": {"mu": "0.7156000137329102"}, "tool": "search_value", "answer": {"r2": "177.19630432128906"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic spatial extent (r2) for a material with dipole moment of {}?"}
{"question": "What is the CH4/O2 molar ratio required for 34.0% methane conversion at a temperature of 850.0℃ with Support MgO?", "refer_dataset": "table23", "column names": ["CH4 conversion (%)", "Temp. (℃)", "Support", "CH4/O2 (mol/mol)"], "condition_column": ["CH4 conversion (%)", "Temp. (℃)", "Support"], "answer_column": ["CH4/O2 (mol/mol)"], "condition": {"CH4 conversion (%)": "34.0", "Temp. (℃)": "850.0", "Support": "MgO"}, "tool": "search_value", "answer": {"CH4/O2 (mol/mol)": "2.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CH4/O2 molar ratio required for {}% methane conversion at a temperature of {}℃ with Support {}?"}
{"question": "What process temperature (°C) corresponds to a conversion yield (C2y) of 634%?", "refer_dataset": "table28", "column names": ["Temperature", "C2y"], "condition_column": ["Temperature"], "answer_column": ["C2y"], "condition": {"Temperature": "634"}, "tool": "search_value", "answer": {"C2y": "0.2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What process temperature (°C) corresponds to a conversion yield (C2y) of {}%?"}
{"question": "What is the surface identifier key for adsorbed species CH* (key 7) and reaction energy -0.019 eV?", "refer_dataset": "table18", "column names": ["ab", "ab_key", "reaction_energy", "surfaces_key"], "condition_column": ["ab", "ab_key", "reaction_energy"], "answer_column": ["surfaces_key"], "condition": {"ab": "CH*", "ab_key": "7", "reaction_energy": "-0.019"}, "tool": "search_value", "answer": {"surfaces_key": "5"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the surface identifier key for adsorbed species {} (key {}) and reaction energy {} eV?"}
{"question": "What is the energy per atom for the material with material ID 2dm-8 and exfoliation energy per atom of 0.06714894666666638?", "refer_dataset": "table67", "column names": ["material_id", "exfoliation_energy_per_atom", "energy_per_atom"], "condition_column": ["material_id", "exfoliation_energy_per_atom"], "answer_column": ["energy_per_atom"], "condition": {"material_id": "2dm-8", "exfoliation_energy_per_atom": "0.06714894666666638"}, "tool": "search_value", "answer": {"energy_per_atom": "-5.992445109999999"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy per atom for the material with material ID {} and exfoliation energy per atom of {}?"}
{"question": "Retrieve the formula_energy of the compound with ID 218 and formula BeH2.", "refer_dataset": "table64", "column names": ["id", "formula", "formula_energy"], "condition_column": ["id", "formula"], "answer_column": ["formula_energy"], "condition": {"id": "218", "formula": "BeH2"}, "tool": "search_value", "answer": {"formula_energy": "-0.0656403766667"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the formula_energy of the compound with ID {} and formula {}."}
{"question": "Determine the reaction energy (eV) for element Au (atomic number 79) on surface -100.", "refer_dataset": "table18", "column names": ["AA", "A_AtimicN", "surfaces", "reaction_energy"], "condition_column": ["AA", "A_AtimicN", "surfaces"], "answer_column": ["reaction_energy"], "condition": {"AA": "Au", "A_AtimicN": "79", "surfaces": "-100"}, "tool": "search_value", "answer": {"reaction_energy": "-0.09"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the reaction energy (eV) for element {} (atomic number {}) on surface {}."}
{"question": "Determine the superconducting transition temperature of the material with ID 1721 and formula Nb1Re3.", "refer_dataset": "table65", "column names": ["id", "formula", "Tc"], "condition_column": ["id", "formula"], "answer_column": ["Tc"], "condition": {"id": "1721", "formula": "Nb1Re3"}, "tool": "search_value", "answer": {"Tc": "5.27"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the superconducting transition temperature of the material with ID {} and formula {}."}
{"question": "What is the net formal charge for the OSDA molecule represented by C(CCN1CCOCCOCCOCCOCC1)CCN1CCOCCOCCOCCOCC1?", "refer_dataset": "table41", "column names": ["osda smiles", "formal_charge"], "condition_column": ["osda smiles"], "answer_column": ["formal_charge"], "condition": {"osda smiles": "C(CCN1CCOCCOCCOCCOCC1)CCN1CCOCCOCCOCCOCC1"}, "tool": "search_value", "answer": {"formal_charge": "0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the net formal charge for the OSDA molecule represented by {}?"}
{"question": "What is the CSM value reported for the molecular symmetry of compound [Pc2Er]TBA?", "refer_dataset": "table34", "column names": ["compound", "CSM"], "condition_column": ["compound"], "answer_column": ["CSM"], "condition": {"compound": "[Pc2Er]TBA"}, "tool": "search_value", "answer": {"CSM": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CSM value reported for the molecular symmetry of compound {}?"}
{"question": "What is the cycle1 measurement for perovskites with primary A site Sr, secondary B2 site Rh, and cycle duration of 6.0 hours?", "refer_dataset": "table5", "column names": ["A site", "B2 site", "Duration of cycles (h)", "cycle1"], "condition_column": ["A site", "B2 site", "Duration of cycles (h)"], "answer_column": ["cycle1"], "condition": {"A site": "Sr", "B2 site": "Rh", "Duration of cycles (h)": "6.0"}, "tool": "search_value", "answer": {"cycle1": "238.3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the cycle1 measurement for perovskites with primary A site {}, secondary B2 site {}, and cycle duration of {} hours?"}
{"question": "What is the band gap for the material with simplified formula TmNi in space group {'symprec': 0.1, 'source': 'spglib', 'symbol': 'Pnma', 'number': 62, 'point_group': 'mmm', 'crystal_system': 'orthorhombic', 'hall': '-P 2ac 2n'}?", "refer_dataset": "table55", "column names": ["pretty_formula", "spacegroup", "band_gap"], "condition_column": ["pretty_formula", "spacegroup"], "answer_column": ["band_gap"], "condition": {"pretty_formula": "TmNi", "spacegroup": "{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Pnma', 'number': 62, 'point_group': 'mmm', 'crystal_system': 'orthorhombic', 'hall': '-P 2ac 2n'}"}, "tool": "search_value", "answer": {"band_gap": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band gap for the material with simplified formula {} in space group {}?"}
{"question": "Determine the electronic polarizability (alpha) for the molecule with SMILES notation C=O.", "refer_dataset": "table61", "column names": ["SMILES", "alpha"], "condition_column": ["SMILES"], "answer_column": ["alpha"], "condition": {"SMILES": "C=O"}, "tool": "search_value", "answer": {"alpha": "-7.47598993754859"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the electronic polarizability (alpha) for the molecule with SMILES notation {}."}
{"question": "What is the atomic radius of element A (Ra) in the material Sr0.9Bi0.1Ti0.9Fe0.1O3?", "refer_dataset": "table3", "column names": ["Materials", "Ra"], "condition_column": ["Materials"], "answer_column": ["Ra"], "condition": {"Materials": "Sr0.9Bi0.1Ti0.9Fe0.1O3"}, "tool": "search_value", "answer": {"Ra": "116.5"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the atomic radius of element A (Ra) in the material {}?"}
{"question": "What is the Gibbs free energy (G) of the molecule with the optimized structure CC?", "refer_dataset": "table61", "column names": ["SMILES_relaxed", "G"], "condition_column": ["SMILES_relaxed"], "answer_column": ["G"], "condition": {"SMILES_relaxed": "CC"}, "tool": "search_value", "answer": {"G": "4.59587971770934"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Gibbs free energy (G) of the molecule with the optimized structure {}?"}
{"question": "What is the argon partial pressure (Par) for a process temperature of 788°C?", "refer_dataset": "table28", "column names": ["Temperature", "Par"], "condition_column": ["Temperature"], "answer_column": ["Par"], "condition": {"Temperature": "788"}, "tool": "search_value", "answer": {"Par": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the argon partial pressure (Par) for a process temperature of {}°C?"}
{"question": "What entry ID corresponds to a material with band gap 0.0, delta_e 0.0978438718534491, and stability 0.139558475603449?", "refer_dataset": "table57", "column names": ["_oqmd_band_gap", "_oqmd_delta_e", "_oqmd_stability", "_oqmd_entry_id"], "condition_column": ["_oqmd_band_gap", "_oqmd_delta_e", "_oqmd_stability"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_band_gap": "0.0", "_oqmd_delta_e": "0.0978438718534491", "_oqmd_stability": "0.139558475603449"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "472982.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What entry ID corresponds to a material with band gap {}, delta_e {}, and stability {}?"}
{"question": "Report the average maximum potential (avg_max) for surface Surface-JVASP-1750_miller_1_1_0_thickness_16_VASP_PBE_noDP composed of ErSbPd when the SCF valence band maximum (scf_vbm) is 7.095.", "refer_dataset": "table66", "column names": ["name", "formula", "scf_vbm", "avg_max"], "condition_column": ["name", "formula", "scf_vbm"], "answer_column": ["avg_max"], "condition": {"name": "Surface-JVASP-1750_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "ErSbPd", "scf_vbm": "7.095"}, "tool": "search_value", "answer": {"avg_max": "3.907142236189986"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the average maximum potential (avg_max) for surface {} composed of {} when the SCF valence band maximum (scf_vbm) is {}."}
{"question": "Identify the decomposition phases for the material with formula Ac and energy above hull of 0.13900621 eV.", "refer_dataset": "table44", "column names": ["formula", "e_above_hull", "decomposition"], "condition_column": ["formula", "e_above_hull"], "answer_column": ["decomposition"], "condition": {"formula": "Ac", "e_above_hull": "0.13900621"}, "tool": "search_value", "answer": {"decomposition": " Ac "}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the decomposition phases for the material with formula {} and energy above hull of {} eV."}
{"question": "What is the bandgap energy (Eg) in eV for the perovskite material with composition Sr2/3Zn1/3TiO3?", "refer_dataset": "table2", "column names": ["Materials", "Eg(eV)"], "condition_column": ["Materials"], "answer_column": ["Eg(eV)"], "condition": {"Materials": "Sr2/3Zn1/3TiO3"}, "tool": "search_value", "answer": {"Eg(eV)": "3.15"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bandgap energy (Eg) in eV for the perovskite material with composition {}?"}
{"question": "Which sub-family does the compound [Pc2Tb]TBA:[Pc2Y]TBA = 1/50 belong to within its chemical family?", "refer_dataset": "table34", "column names": ["compound", "sub_family"], "condition_column": ["compound"], "answer_column": ["sub_family"], "condition": {"compound": "[Pc2Tb]TBA:[Pc2Y]TBA = 1/50"}, "tool": "search_value", "answer": {"sub_family": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which sub-family does the compound {} belong to within its chemical family?"}
{"question": "What is the radius of element B (Rb) for composition Ba5/6Zn1/6TiO3 with a tolerance factor (t) of 0.905 and electronegativity of B (χpb) 1.54?", "refer_dataset": "table2", "column names": ["Materials", "t", "χpb", "Rb"], "condition_column": ["Materials", "t", "χpb"], "answer_column": ["Rb"], "condition": {"Materials": "Ba5/6Zn1/6TiO3", "t": "0.905", "χpb": "1.54"}, "tool": "search_value", "answer": {"Rb": "67.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the radius of element B (Rb) for composition {} with a tolerance factor (t) of {} and electronegativity of B (χpb) {}?"}
{"question": "What is the optimized molecular structure (SMILES_relaxed) of a molecule with HOMO energy -5.47146527326176 and LUMO energy 0.1550486500157?", "refer_dataset": "table61", "column names": ["HOMO", "LUMO", "SMILES_relaxed"], "condition_column": ["HOMO", "LUMO"], "answer_column": ["SMILES_relaxed"], "condition": {"HOMO": "-5.47146527326176", "LUMO": "0.1550486500157"}, "tool": "search_value", "answer": {"SMILES_relaxed": "C#N"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the optimized molecular structure (SMILES_relaxed) of a molecule with HOMO energy {} and LUMO energy {}?"}
{"question": "Provide the modulus of elasticity (10³ Mpa) for the element with atomic radius 0.5 Å.", "refer_dataset": "table36", "column names": ["Atomic Radius (Å)", "Modulus of Elasticity 10³ Mpa"], "condition_column": ["Atomic Radius (Å)"], "answer_column": ["Modulus of Elasticity 10³ Mpa"], "condition": {"Atomic Radius (Å)": "0.5"}, "tool": "search_value", "answer": {"Modulus of Elasticity 10³ Mpa": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the modulus of elasticity (10³ Mpa) for the element with atomic radius {} Å."}
{"question": "Provide the enthalpy per atom for the material with band gap (egap) of 1.5151.", "refer_dataset": "table43", "column names": ["egap", "enthalpy_atom"], "condition_column": ["egap"], "answer_column": ["enthalpy_atom"], "condition": {"egap": "1.5151"}, "tool": "search_value", "answer": {"enthalpy_atom": "-2.5798"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the enthalpy per atom for the material with band gap (egap) of {}."}
{"question": "What is the HM symbol for the compound with the abbreviation Al3CeNi2?", "refer_dataset": "table31", "column names": ["1", "9"], "condition_column": ["1"], "answer_column": ["9"], "condition": {"1": "Al3CeNi2"}, "tool": "search_value", "answer": {"9": "P6/mmm"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HM symbol for the compound with the abbreviation {}?"}
{"question": "What is the tolerance factor (Tol) of a perovskite where both PBE and HSE lattice constants are 5.76 Å and 5.86 Å, respectively?", "refer_dataset": "table49", "column names": ["PBE_latt_const", "HSE_latt_const", "Tol"], "condition_column": ["PBE_latt_const", "HSE_latt_const"], "answer_column": ["Tol"], "condition": {"PBE_latt_const": "5.76", "HSE_latt_const": "5.86"}, "tool": "search_value", "answer": {"Tol": "0.951"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tolerance factor (Tol) of a perovskite where both PBE and HSE lattice constants are {} Å and {} Å, respectively?"}
{"question": "Retrieve the Tc value for the material with chemical composition Ni2.5Cu1.5Zr8.", "refer_dataset": "table65", "column names": ["formula", "Tc"], "condition_column": ["formula"], "answer_column": ["Tc"], "condition": {"formula": "Ni2.5Cu1.5Zr8"}, "tool": "search_value", "answer": {"Tc": "1.09"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the Tc value for the material with chemical composition {}."}
{"question": "How many times has the article with DOI 10.1021/acssuschemeng.0c03311 been cited?", "refer_dataset": "table13", "column names": ["DOI", "Cited_Time"], "condition_column": ["DOI"], "answer_column": ["Cited_Time"], "condition": {"DOI": "10.1021/acssuschemeng.0c03311"}, "tool": "search_value", "answer": {"Cited_Time": "14"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many times has the article with DOI {} been cited?"}
{"question": "What is the exfoliation energy of the material with formula TiBr3?", "refer_dataset": "table48", "column names": ["formula", "exfoliation_energy"], "condition_column": ["formula"], "answer_column": ["exfoliation_energy"], "condition": {"formula": "TiBr3"}, "tool": "search_value", "answer": {"exfoliation_energy": "50.39"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the exfoliation energy of the material with formula {}?"}
{"question": "Find the number of atoms in the structure with a space group symbol of Pm-3m, indirect band gap of 0.0, and source folder '/rk2/knc6/UniveralTB/julia_data/Li_kspace/POSCAR_As_221_vnscf_vol_2'?", "refer_dataset": "table59", "column names": ["spacegroup_symbol", "indir_gap", "source_folder", "natoms"], "condition_column": ["spacegroup_symbol", "indir_gap", "source_folder"], "answer_column": ["natoms"], "condition": {"spacegroup_symbol": "Pm-3m", "indir_gap": "0.0", "source_folder": "'/rk2/knc6/UniveralTB/julia_data/Li_kspace/POSCAR_As_221_vnscf_vol_2'"}, "tool": "search_value", "answer": {"natoms": "2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the number of atoms in the structure with a space group symbol of {}, indirect band gap of {}, and source folder {}?"}
{"question": "What is the standard deviation of volume (volume_std_0) for the molecule with SMILES C(CC[N+]12CCC(CC1)CC2)CC[N+]12CCC(CC1)CC2?", "refer_dataset": "table41", "column names": ["osda smiles", "volume_std_0"], "condition_column": ["osda smiles"], "answer_column": ["volume_std_0"], "condition": {"osda smiles": "C(CC[N+]12CCC(CC1)CC2)CC[N+]12CCC(CC1)CC2"}, "tool": "search_value", "answer": {"volume_std_0": "0.2030550664228776"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the standard deviation of volume (volume_std_0) for the molecule with SMILES {}?"}
{"question": "What is the electronic spatial extent (r2) for a material with dipole moment of 2.56820011138916?", "refer_dataset": "table60", "column names": ["mu", "r2"], "condition_column": ["mu"], "answer_column": ["r2"], "condition": {"mu": "2.56820011138916"}, "tool": "search_value", "answer": {"r2": "166.97279357910156"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic spatial extent (r2) for a material with dipole moment of {}?"}
{"question": "What band alignment offset occurs when the OptB88-vdW bandgap is 0.6234999999999999?", "refer_dataset": "table52", "column names": ["optb88vdw_bandgap", "offset"], "condition_column": ["optb88vdw_bandgap"], "answer_column": ["offset"], "condition": {"optb88vdw_bandgap": "0.6234999999999999"}, "tool": "search_value", "answer": {"offset": "-0.31134686625131147"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What band alignment offset occurs when the OptB88-vdW bandgap is {}?"}
{"question": "What is the argon partial pressure (atm) in tests achieving a methane conversion of 24.7%?", "refer_dataset": "table23", "column names": ["CH4 conversion (%)", "PAr (atm)"], "condition_column": ["CH4 conversion (%)"], "answer_column": ["PAr (atm)"], "condition": {"CH4 conversion (%)": "24.7"}, "tool": "search_value", "answer": {"PAr (atm)": "0.4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the argon partial pressure (atm) in tests achieving a methane conversion of {}%?"}
{"question": "Determine the ionic contribution to the dielectric constant (diel_ion) where the source is 1.47397 and the GGA band gap energy is Baldwin_etal:Adv.Mater.27.346(2015).and.Macromolecules.48.2422(2015) eV.", "refer_dataset": "table58", "column names": ["diel_ion", "src", "gga_gap"], "condition_column": ["diel_ion", "src"], "answer_column": ["gga_gap"], "condition": {"diel_ion": "1.47397", "src": "Baldwin_etal:Adv.Mater.27.346(2015).and.Macromolecules.48.2422(2015)"}, "tool": "search_value", "answer": {"gga_gap": "4.6195"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the ionic contribution to the dielectric constant (diel_ion) where the source is {} and the GGA band gap energy is {} eV."}
{"question": "Which primary element B is present in compounds with a molar ratio of A as 0.556?", "refer_dataset": "table4", "column names": ["A mole", "B"], "condition_column": ["A mole"], "answer_column": ["B"], "condition": {"A mole": "0.556"}, "tool": "search_value", "answer": {"B": "Ti"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which primary element B is present in compounds with a molar ratio of A as {}?"}
{"question": "What is the density of element B (ρb) for materials with RH2 = 30.7 µmol h-1 g-1 and molar mass (M) = 235.06 g/mol?", "refer_dataset": "table3", "column names": ["RH2(µmol h-1 g-1)", "M", "ρb"], "condition_column": ["RH2(µmol h-1 g-1)", "M"], "answer_column": ["ρb"], "condition": {"RH2(µmol h-1 g-1)": "30.7", "M": "235.06"}, "tool": "search_value", "answer": {"ρb": "7.87"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the density of element B (ρb) for materials with RH2 = {} µmol h-1 g-1 and molar mass (M) = {} g/mol?"}
{"question": "Provide the enthalpy of fusion (ΔfusHa) for element A in the material La0.925Sr0.075Fe0.925Ti0.075O3.", "refer_dataset": "table3", "column names": ["Materials", "ΔfusHa"], "condition_column": ["Materials"], "answer_column": ["ΔfusHa"], "condition": {"Materials": "La0.925Sr0.075Fe0.925Ti0.075O3"}, "tool": "search_value", "answer": {"ΔfusHa": "47.62"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the enthalpy of fusion (ΔfusHa) for element A in the material {}."}
{"question": "Find the partial pressure of argon (Par) when the methane partial pressure (Pch4) is 0.87, oxygen partial pressure (Po2) is 0.03, and temperature is 840°C.", "refer_dataset": "table28", "column names": ["Pch4", "Po2", "Temperature", "Par"], "condition_column": ["Pch4", "Po2", "Temperature"], "answer_column": ["Par"], "condition": {"Pch4": "0.87", "Po2": "0.03", "Temperature": "840"}, "tool": "search_value", "answer": {"Par": "0.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the partial pressure of argon (Par) when the methane partial pressure (Pch4) is {}, oxygen partial pressure (Po2) is {}, and temperature is {}°C."}
{"question": "What is the overpotential in acidic conditions for an article published by Univ Bradford (Facility) in the journal NANO ENERGY?", "refer_dataset": "table13", "column names": ["Facility", "Journal_Name", "Acid_OVP"], "condition_column": ["Facility", "Journal_Name"], "answer_column": ["Acid_OVP"], "condition": {"Facility": "Univ Bradford", "Journal_Name": "NANO ENERGY"}, "tool": "search_value", "answer": {"Acid_OVP": "78.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the overpotential in acidic conditions for an article published by {} (Facility) in the journal {}?"}
{"question": "What article's DOI reports an acidic overpotential of 12.9?", "refer_dataset": "table13", "column names": ["Acid_OVP", "DOI"], "condition_column": ["Acid_OVP"], "answer_column": ["DOI"], "condition": {"Acid_OVP": "12.9"}, "tool": "search_value", "answer": {"DOI": "10.1039/c9nr08947k"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What article's DOI reports an acidic overpotential of {}?"}
{"question": "For the material identified by 465 with formula_energy -2.84179646508, what is the associated chemical formula?", "refer_dataset": "table64", "column names": ["id", "formula_energy", "formula"], "condition_column": ["id", "formula_energy"], "answer_column": ["formula"], "condition": {"id": "465", "formula_energy": "-2.84179646508"}, "tool": "search_value", "answer": {"formula": "CaO4W"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material identified by {} with formula_energy {}, what is the associated chemical formula?"}
{"question": "Determine the cycle3 measurement for the perovskite material Sr2Sb2O7", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "cycle3"], "condition_column": ["Full Name of Perovskite"], "answer_column": ["cycle3"], "condition": {"Full Name of Perovskite": "Sr2Sb2O7"}, "tool": "search_value", "answer": {"cycle3": "26"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the cycle3 measurement for the perovskite material {}"}
{"question": "Which job identifier is associated with bulk formula Cl at chemical potential -0.1317940675?", "refer_dataset": "table68", "column names": ["bulk_formula", "chem_pot", "jid"], "condition_column": ["bulk_formula", "chem_pot"], "answer_column": ["jid"], "condition": {"bulk_formula": "Cl", "chem_pot": "-0.1317940675"}, "tool": "search_value", "answer": {"jid": "JVASP-25104"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which job identifier is associated with bulk formula {} at chemical potential {}?"}
{"question": "What is the B-site d-orbital electron range for a material composed of Ba2Gd6Fe8O24 with a formation energy of -1.90326175396?", "refer_dataset": "table37", "column names": ["Material Composition", "Formation_energy", "Bsite_NdValence_range"], "condition_column": ["Material Composition", "Formation_energy"], "answer_column": ["Bsite_NdValence_range"], "condition": {"Material Composition": "Ba2Gd6Fe8O24", "Formation_energy": "-1.90326175396"}, "tool": "search_value", "answer": {"Bsite_NdValence_range": "0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the B-site d-orbital electron range for a material composed of {} with a formation energy of {}?"}
{"question": "What is the space group number corresponding to the symbol P3?", "refer_dataset": "table47", "column names": ["spg_symbol", "spg_number"], "condition_column": ["spg_symbol"], "answer_column": ["spg_number"], "condition": {"spg_symbol": "P3"}, "tool": "search_value", "answer": {"spg_number": "143"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the space group number corresponding to the symbol {}?"}
{"question": "What is the ID of the material containing formula PbTe and having formula_energy -0.355585666576?", "refer_dataset": "table64", "column names": ["formula", "formula_energy", "id"], "condition_column": ["formula", "formula_energy"], "answer_column": ["id"], "condition": {"formula": "PbTe", "formula_energy": "-0.355585666576"}, "tool": "search_value", "answer": {"id": "1759"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ID of the material containing formula {} and having formula_energy {}?"}
{"question": "For Job ID cc-3, what is the crystal structure lattice matrix data (atoms)?", "refer_dataset": "table46", "column names": ["jid", "atoms"], "condition_column": ["jid"], "answer_column": ["atoms"], "condition": {"jid": "cc-3"}, "tool": "search_value", "answer": {"atoms": "{'lattice_mat': [[15, 0, 0], [0, 15, 0], [0, 0, 15]], 'coords': [[0.0, 0.269792, 0.0], [-0.91819, -0.063727, 0.0], [1.560441, 1.35918, 0.0], [-0.86707, -1.475209, 0.0], [1.345813, 1.916112, 0.764973], [1.345813, 1.916112, -0.764973], [-1.899072, -1.840978, 0.0], [-0.36407, -1.886705, -0.891103], [-0.36407, -1.886705, 0.891103]], 'elements': ['H', 'O', 'O', 'C', 'H', 'H', 'H', 'H', 'H'], 'abc': [15.0, 15.0, 15.0], 'angles': [90.0, 90.0, 90.0], 'cartesian': True, 'props': ['', '', '', '', '', '', '', '', '']}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For Job ID {}, what is the crystal structure lattice matrix data (atoms)?"}
{"question": "How many atoms are present in the Mg-F compound with the job identifier JQE-2?", "refer_dataset": "table59", "column names": ["jid", "natoms"], "condition_column": ["jid"], "answer_column": ["natoms"], "condition": {"jid": "JQE-2"}, "tool": "search_value", "answer": {"natoms": "2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many atoms are present in the Mg-F compound with the job identifier {}?"}
{"question": "What is the main product of the reaction type methanation when using the catalyst 9,3%NiPt(3:1)/Al2O3?", "refer_dataset": "table30", "column names": ["ReactionType", "Catalyst", "Mainproduct"], "condition_column": ["ReactionType", "Catalyst"], "answer_column": ["Mainproduct"], "condition": {"ReactionType": "methanation", "Catalyst": "9,3%NiPt(3:1)/Al2O3"}, "tool": "search_value", "answer": {"Mainproduct": "CH4"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the main product of the reaction type {} when using the catalyst {}?"}
{"question": "What is the A-B property ratio (A_B) for a material with an A-site oxygen ionic radius/electronegativity value of 2.75875?", "refer_dataset": "table37", "column names": ["A_O", "A_B"], "condition_column": ["A_O"], "answer_column": ["A_B"], "condition": {"A_O": "2.75875"}, "tool": "search_value", "answer": {"A_B": "1.99275"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the A-B property ratio (A_B) for a material with an A-site oxygen ionic radius/electronegativity value of {}?"}
{"question": "What is the DFPT piezoelectric coefficient (dielectric_ionic) for materials with space group number 90 and max IR mode na?", "refer_dataset": "table48", "column names": ["spg_number", "max_ir_mode", "dfpt_piezo_max_dielectric_ionic"], "condition_column": ["spg_number", "max_ir_mode"], "answer_column": ["dfpt_piezo_max_dielectric_ionic"], "condition": {"spg_number": "90", "max_ir_mode": "na"}, "tool": "search_value", "answer": {"dfpt_piezo_max_dielectric_ionic": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the DFPT piezoelectric coefficient (dielectric_ionic) for materials with space group number {} and max IR mode {}?"}
{"question": "For the compound with Job ID cc-8 and InChI InChI=1S/C2H8O2/c1-4(2)5-3/h3H,1-2H3, what is the formation enthalpy at 0K (kJ/mol)?", "refer_dataset": "table46", "column names": ["jid", "inchi", "enthalpy_formation_0K"], "condition_column": ["jid", "inchi"], "answer_column": ["enthalpy_formation_0K"], "condition": {"jid": "cc-8", "inchi": "InChI=1S/C2H8O2/c1-4(2)5-3/h3H,1-2H3"}, "tool": "search_value", "answer": {"enthalpy_formation_0K": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the compound with Job ID {} and InChI {}, what is the formation enthalpy at 0K (kJ/mol)?"}
{"question": "Which chemical element symbol has a vacancy formation factor of ['Cu,4,1.276'] in the bulk material Cu?", "refer_dataset": "table68", "column names": ["ff_vac", "bulk_formula", "symbol"], "condition_column": ["ff_vac", "bulk_formula"], "answer_column": ["symbol"], "condition": {"ff_vac": "['Cu,4,1.276']", "bulk_formula": "Cu"}, "tool": "search_value", "answer": {"symbol": "Cu"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which chemical element symbol has a vacancy formation factor of {} in the bulk material {}?"}
{"question": "What is the GGA optical band gap value for materials in space group 216 with FM magnetic ordering?", "refer_dataset": "table63", "column names": ["Space_group_rlx", "Magnetic_ordering", "Band_gap_GGA_optical"], "condition_column": ["Space_group_rlx", "Magnetic_ordering"], "answer_column": ["Band_gap_GGA_optical"], "condition": {"Space_group_rlx": "216", "Magnetic_ordering": "FM"}, "tool": "search_value", "answer": {"Band_gap_GGA_optical": "6.295913"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the GGA optical band gap value for materials in space group {} with {} magnetic ordering?"}
{"question": "Identify the carbon deficit percentage for resource type 0,2 at a furnace length of Refernce mm.", "refer_dataset": "table27", "column names": ["C missing(%)", "Resource", "furnace length(mm)"], "condition_column": ["C missing(%)", "Resource"], "answer_column": ["furnace length(mm)"], "condition": {"C missing(%)": "0,2", "Resource": "Refernce"}, "tool": "search_value", "answer": {"furnace length(mm)": "270"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the carbon deficit percentage for resource type {} at a furnace length of {} mm."}
{"question": "What Metal 3 component (M3) is used at 20.0 mL/min total flow, 800.0℃, and 30.9% methane conversion?", "refer_dataset": "table23", "column names": ["Total flow (mL/min)", "Temp. (℃)", "CH4 conversion (%)", "M3"], "condition_column": ["Total flow (mL/min)", "Temp. (℃)", "CH4 conversion (%)"], "answer_column": ["M3"], "condition": {"Total flow (mL/min)": "20.0", "Temp. (℃)": "800.0", "CH4 conversion (%)": "30.9"}, "tool": "search_value", "answer": {"M3": "Hf"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What Metal 3 component (M3) is used at {} mL/min total flow, {}℃, and {}% methane conversion?"}
{"question": "Which database contains the compound abbreviation Lu2S4?", "refer_dataset": "table31", "column names": ["1", "7"], "condition_column": ["1"], "answer_column": ["7"], "condition": {"1": "Lu2S4"}, "tool": "search_value", "answer": {"7": "OQMD"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which database contains the compound abbreviation {}?"}
{"question": "Identify the reference identifier for a material with primary B site Ti, secondary B2 site Nb, and cycle3 performance 245.3.", "refer_dataset": "table5", "column names": ["B site", "B2 site", "cycle3", "Ref"], "condition_column": ["B site", "B2 site", "cycle3"], "answer_column": ["Ref"], "condition": {"B site": "Ti", "B2 site": "Nb", "cycle3": "245.3"}, "tool": "search_value", "answer": {"Ref": "[A154]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the reference identifier for a material with primary B site {}, secondary B2 site {}, and cycle3 performance {}."}
{"question": "What article's DOI reports an acidic overpotential of 214.0?", "refer_dataset": "table13", "column names": ["Acid_OVP", "DOI"], "condition_column": ["Acid_OVP"], "answer_column": ["DOI"], "condition": {"Acid_OVP": "214.0"}, "tool": "search_value", "answer": {"DOI": "10.1016/j.ijhydene.2019.02.054"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What article's DOI reports an acidic overpotential of {}?"}
{"question": "Report the PBE bandgap for a material with mu_b 0.0 and ID mp-10003:", "refer_dataset": "table56", "column names": ["mu_b", "id", "gap pbe"], "condition_column": ["mu_b", "id"], "answer_column": ["gap pbe"], "condition": {"mu_b": "0.0", "id": "mp-10003"}, "tool": "search_value", "answer": {"gap pbe": "0.0064000000000001"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the PBE bandgap for a material with mu_b {} and ID {}:"}
{"question": "What DOI is assigned to the paper with title From dyadic $\\Lambda_{\\alpha}$ to $\\Lambda_{\\alpha}$ and parsed authors [['Abu-Shammala', 'Wael', ''], ['Torchinsky', 'Alberto', '']]?", "refer_dataset": "table45", "column names": ["title", "authors_parsed", "doi"], "condition_column": ["title", "authors_parsed"], "answer_column": ["doi"], "condition": {"title": "From dyadic $\\Lambda_{\\alpha}$ to $\\Lambda_{\\alpha}$", "authors_parsed": "[['Abu-Shammala', 'Wael', ''], ['Torchinsky', 'Alberto', '']]"}, "tool": "search_value", "answer": {"doi": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What DOI is assigned to the paper with title {} and parsed authors {}?"}
{"question": "What is the lattice parameter c for the entry with lattice parameters a of 8.884 and b of 5.458?", "refer_dataset": "table38", "column names": ["a", "b", "c"], "condition_column": ["a", "b"], "answer_column": ["c"], "condition": {"a": "8.884", "b": "5.458"}, "tool": "search_value", "answer": {"c": "7.153"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the lattice parameter c for the entry with lattice parameters a of {} and b of {}?"}
{"question": "What is the total magnetization of the material classified as oxide oxide with ICSD ID [430299]?", "refer_dataset": "table55", "column names": ["oxide_type", "icsd_ids", "total_magnetization"], "condition_column": ["oxide_type", "icsd_ids"], "answer_column": ["total_magnetization"], "condition": {"oxide_type": "oxide", "icsd_ids": "[430299]"}, "tool": "search_value", "answer": {"total_magnetization": "5.0103632"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total magnetization of the material classified as {} oxide with ICSD ID {}?"}
{"question": "What is the value of feature 9 in perovskite SrFeO3 when feature 5 is 0.030172?", "refer_dataset": "table14", "column names": ["Perovskite", "5", "9"], "condition_column": ["Perovskite", "5"], "answer_column": ["9"], "condition": {"Perovskite": "SrFeO3", "5": "0.030172"}, "tool": "search_value", "answer": {"9": "0.003733"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the value of feature 9 in perovskite {} when feature 5 is {}?"}
{"question": "Find the stability (e_hull) of the compound Al(CoSi)2 with a bulk modulus of 175.4724468690324 and magnetic moment (mu_b) of -0.0002328.", "refer_dataset": "table54", "column names": ["formula", "bulk modulus", "mu_b", "e_hull"], "condition_column": ["formula", "bulk modulus", "mu_b"], "answer_column": ["e_hull"], "condition": {"formula": "Al(CoSi)2", "bulk modulus": "175.4724468690324", "mu_b": "-0.0002328"}, "tool": "search_value", "answer": {"e_hull": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the stability (e_hull) of the compound {} with a bulk modulus of {} and magnetic moment (mu_b) of {}."}
{"question": "What is the Ruthenium (Ru) percentage in the alloy with Platinum (Pt) at 18.6%, Rhodium (Rh) at 0.3%, and Onset potential of 0.508686 V?", "refer_dataset": "table15", "column names": ["Pt", "Rh", "Onset", "Ru"], "condition_column": ["Pt", "Rh", "Onset"], "answer_column": ["Ru"], "condition": {"Pt": "18.6", "Rh": "0.3", "Onset": "0.508686"}, "tool": "search_value", "answer": {"Ru": "28.5"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Ruthenium (Ru) percentage in the alloy with Platinum (Pt) at {}%, Rhodium (Rh) at {}%, and Onset potential of {} V?"}
{"question": "For a system with valence band maximum (VBM) of 3.4979, what is the OptB88-vdW calculated bandgap?", "refer_dataset": "table52", "column names": ["optb88vdw_vbm", "optb88vdw_bandgap"], "condition_column": ["optb88vdw_vbm"], "answer_column": ["optb88vdw_bandgap"], "condition": {"optb88vdw_vbm": "3.4979"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "-0.1169999999999999"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a system with valence band maximum (VBM) of {}, what is the OptB88-vdW calculated bandgap?"}
{"question": "If a perovskite’s similarity score is 0.288779, what is the value of feature 24 if feature 7 is -0.04436?", "refer_dataset": "table14", "column names": ["similarity", "7", "24"], "condition_column": ["similarity", "7"], "answer_column": ["24"], "condition": {"similarity": "0.288779", "7": "-0.04436"}, "tool": "search_value", "answer": {"24": "0.005269"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If a perovskite’s similarity score is {}, what is the value of feature 24 if feature 7 is {}?"}
{"question": "Reveal the bulk modulus (Kv) of the material with formula US3 and functional OptB88vdW?", "refer_dataset": "table48", "column names": ["formula", "func", "bulk_modulus_kv"], "condition_column": ["formula", "func"], "answer_column": ["bulk_modulus_kv"], "condition": {"formula": "US3", "func": "OptB88vdW"}, "tool": "search_value", "answer": {"bulk_modulus_kv": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Reveal the bulk modulus (Kv) of the material with formula {} and functional {}?"}
{"question": "Provide the average maximum potential (avg_max) for surface structure Surface-JVASP-1372_miller_1_1_0_thickness_16_VASP_PBE_noDP.", "refer_dataset": "table66", "column names": ["name", "avg_max"], "condition_column": ["name"], "answer_column": ["avg_max"], "condition": {"name": "Surface-JVASP-1372_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"avg_max": "6.10832787371113"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the average maximum potential (avg_max) for surface structure {}."}
{"question": "Determine the polarizability (alpha) of the material correlated with a dipole moment of 2.893699884414673.", "refer_dataset": "table60", "column names": ["mu", "alpha"], "condition_column": ["mu"], "answer_column": ["alpha"], "condition": {"mu": "2.893699884414673"}, "tool": "search_value", "answer": {"alpha": "12.989999771118164"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the polarizability (alpha) of the material correlated with a dipole moment of {}."}
{"question": "At pH 6.0, what percentage of pollutant is degraded?", "refer_dataset": "table8", "column names": ["pH", "Degradation rate(%)"], "condition_column": ["pH"], "answer_column": ["Degradation rate(%)"], "condition": {"pH": "6.0"}, "tool": "search_value", "answer": {"Degradation rate(%)": "94.4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At pH {}, what percentage of pollutant is degraded?"}
{"question": "Determine the unique material ID for the compound with source identifier mp-542812 and a total energy per atom of -3.3256728375000004.", "refer_dataset": "table67", "column names": ["source_id", "energy_per_atom", "material_id"], "condition_column": ["source_id", "energy_per_atom"], "answer_column": ["material_id"], "condition": {"source_id": "mp-542812", "energy_per_atom": "-3.3256728375000004"}, "tool": "search_value", "answer": {"material_id": "2dm-3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the unique material ID for the compound with source identifier {} and a total energy per atom of {}."}
{"question": "What is the chemical formula corresponding to the unique identifier mp-10008?", "refer_dataset": "table54", "column names": ["id", "formula"], "condition_column": ["id"], "answer_column": ["formula"], "condition": {"id": "mp-10008"}, "tool": "search_value", "answer": {"formula": "Ca7Ge"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula corresponding to the unique identifier {}?"}
{"question": "What is the weight percentage of metal loading in the catalyst titled \"12,7%NiPt(1:1)/Al2O3Active\"?", "refer_dataset": "table29", "column names": ["title", "WeigthMetalLoading"], "condition_column": ["title"], "answer_column": ["WeigthMetalLoading"], "condition": {"title": "12,7%NiPt(1:1)/Al2O3Active"}, "tool": "search_value", "answer": {"WeigthMetalLoading": "Ni-2,90%/Pt-9,80%"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the weight percentage of metal loading in the catalyst titled \"{}\"?"}
{"question": "Identify the desorption temperature (DT) of a perovskite oxide with SSA of 5.91 m²/g and calcination temperature of 800℃.", "refer_dataset": "table11", "column names": ["SSA (m2 g -1 )", "CT (℃)", "DT (℃)"], "condition_column": ["SSA (m2 g -1 )", "CT (℃)"], "answer_column": ["DT (℃)"], "condition": {"SSA (m2 g -1 )": "5.91", "CT (℃)": "800"}, "tool": "search_value", "answer": {"DT (℃)": "120"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the desorption temperature (DT) of a perovskite oxide with SSA of {} m²/g and calcination temperature of {}℃."}
{"question": "What is the statistical correlation coefficient (R²) for a molecule with SMILES_relaxed structure CC#N and a dipole moment (mu) of 0.76730662896953?", "refer_dataset": "table61", "column names": ["SMILES_relaxed", "mu", "R2"], "condition_column": ["SMILES_relaxed", "mu"], "answer_column": ["R2"], "condition": {"SMILES_relaxed": "CC#N", "mu": "0.76730662896953"}, "tool": "search_value", "answer": {"R2": "-3.66769129288626"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the statistical correlation coefficient (R²) for a molecule with SMILES_relaxed structure {} and a dipole moment (mu) of {}?"}
{"question": "What is the energy per atom for the material with material ID 2dm-10 and exfoliation energy per atom of 0.12851741000000017?", "refer_dataset": "table67", "column names": ["material_id", "exfoliation_energy_per_atom", "energy_per_atom"], "condition_column": ["material_id", "exfoliation_energy_per_atom"], "answer_column": ["energy_per_atom"], "condition": {"material_id": "2dm-10", "exfoliation_energy_per_atom": "0.12851741000000017"}, "tool": "search_value", "answer": {"energy_per_atom": "-2.712322942"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy per atom for the material with material ID {} and exfoliation energy per atom of {}?"}
{"question": "State the energy per atom for the material in space group {'symprec': 0.1, 'source': 'spglib', 'symbol': 'C222', 'number': 21, 'point_group': '222', 'crystal_system': 'orthorhombic', 'hall': 'C 2 2'}.", "refer_dataset": "table55", "column names": ["spacegroup", "energy_per_atom"], "condition_column": ["spacegroup"], "answer_column": ["energy_per_atom"], "condition": {"spacegroup": "{'symprec': 0.1, 'source': 'spglib', 'symbol': 'C222', 'number': 21, 'point_group': '222', 'crystal_system': 'orthorhombic', 'hall': 'C 2 2'}"}, "tool": "search_value", "answer": {"energy_per_atom": "-7.7047133444444444"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "State the energy per atom for the material in space group {}."}
{"question": "At a valence band maximum (VBM) of 5.2089, what is the corresponding band alignment offset?", "refer_dataset": "table52", "column names": ["optb88vdw_vbm", "offset"], "condition_column": ["optb88vdw_vbm"], "answer_column": ["offset"], "condition": {"optb88vdw_vbm": "5.2089"}, "tool": "search_value", "answer": {"offset": "-0.31134686625131147"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At a valence band maximum (VBM) of {}, what is the corresponding band alignment offset?"}
{"question": "Find the tolerance factor (t) of materials with electron affinity of element A (EAa) = 13.36 eV and element B's electron affinity (EAb) = 8.41 eV.", "refer_dataset": "table3", "column names": ["EAa", "EAb", "t"], "condition_column": ["EAa", "EAb"], "answer_column": ["t"], "condition": {"EAa": "13.36", "EAb": "8.41"}, "tool": "search_value", "answer": {"t": "0.881"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the tolerance factor (t) of materials with electron affinity of element A (EAa) = {} eV and element B's electron affinity (EAb) = {} eV."}
{"question": "Identify the material dimensionality classification for bulk formula Ni with formation energy 1.39051.", "refer_dataset": "table68", "column names": ["bulk_formula", "ef", "material_type"], "condition_column": ["bulk_formula", "ef"], "answer_column": ["material_type"], "condition": {"bulk_formula": "Ni", "ef": "1.39051"}, "tool": "search_value", "answer": {"material_type": "3D"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the material dimensionality classification for bulk formula {} with formation energy {}."}
{"question": "How does pore volume (cm³/g) vary for materials with surface area 180.41 m²/g, pH 2.2, and illumination time 15 minutes?", "refer_dataset": "table6", "column names": ["Surface area (m2/g)", "pH", "Illumination time (min)", "Pore Volume (cm3/g)"], "condition_column": ["Surface area (m2/g)", "pH", "Illumination time (min)"], "answer_column": ["Pore Volume (cm3/g)"], "condition": {"Surface area (m2/g)": "180.41", "pH": "2.2", "Illumination time (min)": "15"}, "tool": "search_value", "answer": {"Pore Volume (cm3/g)": "0.32"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How does pore volume (cm³/g) vary for materials with surface area {} m²/g, pH {}, and illumination time {} minutes?"}
{"question": "What gamma prime phase size (nm) results from a Cobalt content of 80.0%, Nickel content of 0.0%, and aging at 800.0°C for 1.0 hours?", "refer_dataset": "table39", "column names": ["Co", "Ni", "时效温度T (℃)", "时效时间t (h)", "γ＇相尺寸 (nm)"], "condition_column": ["Co", "Ni", "时效温度T (℃)", "时效时间t (h)"], "answer_column": ["γ＇相尺寸 (nm)"], "condition": {"Co": "80.0", "Ni": "0.0", "时效温度T (℃)": "800.0", "时效时间t (h)": "1.0"}, "tool": "search_value", "answer": {"γ＇相尺寸 (nm)": "7.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What gamma prime phase size (nm) results from a Cobalt content of {}%, Nickel content of {}%, and aging at {}°C for {} hours?"}
{"question": "Find the electronegativity of element B (χpb) if the radius ratio (Ra/Rb) is 1.863, ionization energy of A (I1a) is 5.91, and tolerance factor (t) is 0.905.", "refer_dataset": "table2", "column names": ["Ra/Rb", "I1a", "t", "χpb"], "condition_column": ["Ra/Rb", "I1a", "t"], "answer_column": ["χpb"], "condition": {"Ra/Rb": "1.863", "I1a": "5.91", "t": "0.905"}, "tool": "search_value", "answer": {"χpb": "1.54"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the electronegativity of element B (χpb) if the radius ratio (Ra/Rb) is {}, ionization energy of A (I1a) is {}, and tolerance factor (t) is {}."}
{"question": "Which material family does the catalyst Carbon Monoxide Dehydrogenase from Carboxydothermus hydrogenoformans belong to?", "refer_dataset": "table12", "column names": ["Catalyst label", "Material Family"], "condition_column": ["Catalyst label"], "answer_column": ["Material Family"], "condition": {"Catalyst label": "Carbon Monoxide Dehydrogenase from Carboxydothermus hydrogenoformans"}, "tool": "search_value", "answer": {"Material Family": "Enzyme"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which material family does the catalyst {} belong to?"}
{"question": "For surface structure Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP, what is the SCF valence band maximum (scf_vbm) if composed of BeTe and exhibiting a surface valence band maximum of -2.7186?", "refer_dataset": "table66", "column names": ["name", "formula", "surf_vbm", "scf_vbm"], "condition_column": ["name", "formula", "surf_vbm"], "answer_column": ["scf_vbm"], "condition": {"name": "Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "BeTe", "surf_vbm": "-2.7186"}, "tool": "search_value", "answer": {"scf_vbm": "6.63"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For surface structure {}, what is the SCF valence band maximum (scf_vbm) if composed of {} and exhibiting a surface valence band maximum of {}?"}
{"question": "Does the catalyst Au Nanowire contain alloying components? (0=no, 1=yes)", "refer_dataset": "table12", "column names": ["Catalyst label", "Alloying"], "condition_column": ["Catalyst label"], "answer_column": ["Alloying"], "condition": {"Catalyst label": "Au Nanowire"}, "tool": "search_value", "answer": {"Alloying": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Does the catalyst {} contain alloying components? (0=no, 1=yes)"}
{"question": "For a system with a final energy of -155.44689227 and bandgap of -0.4756, what is the valence band maximum (VBM) via OptB88-vdW?", "refer_dataset": "table52", "column names": ["final_energy", "optb88vdw_bandgap", "optb88vdw_vbm"], "condition_column": ["final_energy", "optb88vdw_bandgap"], "answer_column": ["optb88vdw_vbm"], "condition": {"final_energy": "-155.44689227", "optb88vdw_bandgap": "-0.4756"}, "tool": "search_value", "answer": {"optb88vdw_vbm": "5.0019"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a system with a final energy of {} and bandgap of {}, what is the valence band maximum (VBM) via OptB88-vdW?"}
{"question": "Calculate the ethylene yield for a catalyst with M4 element Mn, support La2O3, and CO yield 3.2%?", "refer_dataset": "table26", "column names": ["M4", "Support", "CO yield (%)", "C2H4 yield (%)"], "condition_column": ["M4", "Support", "CO yield (%)"], "answer_column": ["C2H4 yield (%)"], "condition": {"M4": "Mn", "Support": "La2O3", "CO yield (%)": "3.2"}, "tool": "search_value", "answer": {"C2H4 yield (%)": "6.4"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the ethylene yield for a catalyst with M4 element {}, support {}, and CO yield {}%?"}
{"question": "What is the Gibbs free energy (G) of a material with dipole moment 1.851099967956543 and polarizability 6.309999942779541?", "refer_dataset": "table60", "column names": ["mu", "alpha", "G"], "condition_column": ["mu", "alpha"], "answer_column": ["G"], "condition": {"mu": "1.851099967956543", "alpha": "6.309999942779541"}, "tool": "search_value", "answer": {"G": "-8.733847618103027"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Gibbs free energy (G) of a material with dipole moment {} and polarizability {}?"}
{"question": "What is the energy indicating phase separation tendency for the material with ID agm005268319?", "refer_dataset": "table44", "column names": ["mat_id", "e_phase_separation"], "condition_column": ["mat_id"], "answer_column": ["e_phase_separation"], "condition": {"mat_id": "agm005268319"}, "tool": "search_value", "answer": {"e_phase_separation": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy indicating phase separation tendency for the material with ID {}?"}
{"question": "What is the CO yield percentage when the support material is none and the oxygen conversion is -2.7%?", "refer_dataset": "table25", "column names": ["Support", "O2 Conv. (%)", "CO yield (%)"], "condition_column": ["Support", "O2 Conv. (%)"], "answer_column": ["CO yield (%)"], "condition": {"Support": "none", "O2 Conv. (%)": "-2.7"}, "tool": "search_value", "answer": {"CO yield (%)": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CO yield percentage when the support material is {} and the oxygen conversion is {}%?"}
{"question": "What Metal 3 component (M3) is used at 20.0 mL/min total flow, 700.0℃, and 40.9% methane conversion?", "refer_dataset": "table23", "column names": ["Total flow (mL/min)", "Temp. (℃)", "CH4 conversion (%)", "M3"], "condition_column": ["Total flow (mL/min)", "Temp. (℃)", "CH4 conversion (%)"], "answer_column": ["M3"], "condition": {"Total flow (mL/min)": "20.0", "Temp. (℃)": "700.0", "CH4 conversion (%)": "40.9"}, "tool": "search_value", "answer": {"M3": "Eu"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What Metal 3 component (M3) is used at {} mL/min total flow, {}℃, and {}% methane conversion?"}
{"question": "What is the dipole moment (mu) of the sample identified by 6?", "refer_dataset": "table61", "column names": ["id", "mu"], "condition_column": ["id"], "answer_column": ["mu"], "condition": {"id": "6"}, "tool": "search_value", "answer": {"mu": "-0.37519962361434"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the dipole moment (mu) of the sample identified by {}?"}
{"question": "What is the magnetic flux density (mT) at a magnetic field strength of 0.47 A/m?", "refer_dataset": "table32", "column names": ["A/m", "mT"], "condition_column": ["A/m"], "answer_column": ["mT"], "condition": {"A/m": "0.47"}, "tool": "search_value", "answer": {"mT": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the magnetic flux density (mT) at a magnetic field strength of {} A/m?"}
{"question": "What is the CH3Ead for the Composition BeC?", "refer_dataset": "table24", "column names": ["Composition", "CH3Ead"], "condition_column": ["Composition"], "answer_column": ["CH3Ead"], "condition": {"Composition": "BeC"}, "tool": "search_value", "answer": {"CH3Ead": "-1.0923106164"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CH3Ead for the Composition {}?"}
{"question": "Which catalyst support material is used when the C₂ yield is 12.1%?", "refer_dataset": "table23", "column names": ["C2 yield (%)", "Support"], "condition_column": ["C2 yield (%)"], "answer_column": ["Support"], "condition": {"C2 yield (%)": "12.1"}, "tool": "search_value", "answer": {"Support": "MgO"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which catalyst support material is used when the C₂ yield is {}%?"}
{"question": "What is the shear modulus (G) of the material with job ID JVASP-64906?", "refer_dataset": "table47", "column names": ["jid", "shear_modulus_gv"], "condition_column": ["jid"], "answer_column": ["shear_modulus_gv"], "condition": {"jid": "JVASP-64906"}, "tool": "search_value", "answer": {"shear_modulus_gv": "na"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the shear modulus (G) of the material with job ID {}?"}
{"question": "What is the report number for the paper submitted by Koichi Fujii in the math.CA math.AT category?", "refer_dataset": "table45", "column names": ["submitter", "categories", "report-no"], "condition_column": ["submitter", "categories"], "answer_column": ["report-no"], "condition": {"submitter": "Koichi Fujii", "categories": "math.CA math.AT"}, "tool": "search_value", "answer": {"report-no": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the report number for the paper submitted by {} in the {} category?"}
{"question": "Determine the CO2 yield percentage for M1 element 2,3 and support material Na at a furnace length of SiO2 mm.", "refer_dataset": "table27", "column names": ["CO2 yield(%)", "M1", "Support", "furnace length(mm)"], "condition_column": ["CO2 yield(%)", "M1", "Support"], "answer_column": ["furnace length(mm)"], "condition": {"CO2 yield(%)": "2,3", "M1": "Na", "Support": "SiO2"}, "tool": "search_value", "answer": {"furnace length(mm)": "270"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the CO2 yield percentage for M1 element {} and support material {} at a furnace length of {} mm."}
{"question": "For Composition BeBe, what CH4Ead value is observed when the Dope element is Be?", "refer_dataset": "table24", "column names": ["Composition", "Dope", "CH4Ead"], "condition_column": ["Composition", "Dope"], "answer_column": ["CH4Ead"], "condition": {"Composition": "BeBe", "Dope": "Be"}, "tool": "search_value", "answer": {"CH4Ead": "0.9625157899"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For Composition {}, what CH4Ead value is observed when the Dope element is {}?"}
{"question": "Which perovskite material has a value of BaZrO3 in feature 10?", "refer_dataset": "table14", "column names": ["Perovskite", "10"], "condition_column": ["Perovskite"], "answer_column": ["10"], "condition": {"Perovskite": "BaZrO3"}, "tool": "search_value", "answer": {"10": "0.022742"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which perovskite material has a value of {} in feature 10?"}
{"question": "Identify the organic compound degraded at pH 7.0, temperature 25°C, and dose 0.075 g/L.", "refer_dataset": "table9", "column names": ["pH", "T, oC", "D, g/L", "OC"], "condition_column": ["pH", "T, oC", "D, g/L"], "answer_column": ["OC"], "condition": {"pH": "7.0", "T, oC": "25", "D, g/L": "0.075"}, "tool": "search_value", "answer": {"OC": "Atenolol"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the organic compound degraded at pH {}, temperature {}°C, and dose {} g/L."}
{"question": "What is the enthalpy of formation at 0K (kJ/mol) for the compound with species HCOOHH2O and HOMO energy level -0.29032 eV?", "refer_dataset": "table46", "column names": ["species", "homo", "enthalpy_formation_0K"], "condition_column": ["species", "homo"], "answer_column": ["enthalpy_formation_0K"], "condition": {"species": "HCOOHH2O", "homo": "-0.29032"}, "tool": "search_value", "answer": {"enthalpy_formation_0K": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the enthalpy of formation at 0K (kJ/mol) for the compound with species {} and HOMO energy level {} eV?"}
{"question": "What is the formation energy for the compound formula Ba2Ca6Fe8O24?", "refer_dataset": "table37", "column names": ["Material Composition", "Formation_energy"], "condition_column": ["Material Composition"], "answer_column": ["Formation_energy"], "condition": {"Material Composition": "Ba2Ca6Fe8O24"}, "tool": "search_value", "answer": {"Formation_energy": "-1.43560727421"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy for the compound formula {}?"}
{"question": "What is the source folder path for the compound with formula AsF3, space group symbol Pm-3m, and a crystal system of cubic?", "refer_dataset": "table59", "column names": ["formula", "spacegroup_symbol", "crystal_system", "source_folder"], "condition_column": ["formula", "spacegroup_symbol", "crystal_system"], "answer_column": ["source_folder"], "condition": {"formula": "AsF3", "spacegroup_symbol": "Pm-3m", "crystal_system": "cubic"}, "tool": "search_value", "answer": {"source_folder": "'/rk2/knc6/UniveralTB/julia_data/As_F_kspace/POSCAR_alf3_vnscf_vol-mid_1'"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the source folder path for the compound with formula {}, space group symbol {}, and a crystal system of {}?"}
{"question": "For the material with ID mp-1001, what is its stability (e_hull) metric?", "refer_dataset": "table54", "column names": ["id", "e_hull"], "condition_column": ["id"], "answer_column": ["e_hull"], "condition": {"id": "mp-1001"}, "tool": "search_value", "answer": {"e_hull": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with ID {}, what is its stability (e_hull) metric?"}
{"question": "Which authors contributed to the paper titled David Callan?", "refer_dataset": "table45", "column names": ["authors", "title"], "condition_column": ["authors"], "answer_column": ["title"], "condition": {"authors": "David Callan"}, "tool": "search_value", "answer": {"title": "A determinant of Stirling cycle numbers counts unlabeled acyclic\n  single-source automata"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which authors contributed to the paper titled {}?"}
{"question": "What is the measurement pressure (cellpressure) for the COD entry 1000033?", "refer_dataset": "table38", "column names": ["file", "cellpressure"], "condition_column": ["file"], "answer_column": ["cellpressure"], "condition": {"file": "1000033"}, "tool": "search_value", "answer": {"cellpressure": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the measurement pressure (cellpressure) for the COD entry {}?"}
{"question": "What is the final energy (final_energy) for surface structure Surface-JVASP-66053_miller_1_1_0_thickness_16_VASP_PBE_noDP when composed of material BaGaSb and having a Fermi energy level of 0.5073935?", "refer_dataset": "table66", "column names": ["name", "formula", "efermi", "final_energy"], "condition_column": ["name", "formula", "efermi"], "answer_column": ["final_energy"], "condition": {"name": "Surface-JVASP-66053_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "BaGaSb", "efermi": "0.5073935"}, "tool": "search_value", "answer": {"final_energy": "-31.83063842"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the final energy (final_energy) for surface structure {} when composed of material {} and having a Fermi energy level of {}?"}
{"question": "What PBE0 method details describe an entry with a HOMO-LUMO gap of 0.153?", "refer_dataset": "table51", "column names": ["pbe0_gap", "pbe0_description"], "condition_column": ["pbe0_gap"], "answer_column": ["pbe0_description"], "condition": {"pbe0_gap": "0.153"}, "tool": "search_value", "answer": {"pbe0_description": "QChem PBE0/def2-SVP DFT"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What PBE0 method details describe an entry with a HOMO-LUMO gap of {}?"}
{"question": "What is the initial atomic structure data (initial_atoms) for the surface identified as Surface-JVASP-7630_miller_1_1_0_thickness_16_VASP_PBE_noDP?", "refer_dataset": "table66", "column names": ["name", "initial_atoms"], "condition_column": ["name"], "answer_column": ["initial_atoms"], "condition": {"name": "Surface-JVASP-7630_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"initial_atoms": "{'lattice_mat': [[6.81157377, 0.0, 0.0], [0.0, 4.81651, 0.0], [0.0, 0.0, 25.62314753]], 'coords': [[0.49999972, 0.375, 0.03322964], [0.0, 0.375, 0.16614799], [0.50000028, 0.375, 0.29906634], [5.5e-07, 0.375, 0.43198469], [0.24999959, 0.875, 0.09968881], [0.74999986, 0.875, 0.23260716], [0.25000014, 0.875, 0.36552552], [0.75000041, 0.875, 0.49844387], [0.74999986, 0.875, 0.09968881], [0.25000014, 0.875, 0.23260716], [0.75000041, 0.875, 0.36552552], [0.25000069, 0.875, 0.49844387], [0.99999945, 0.375, 0.03322964], [0.49999972, 0.375, 0.16614799], [0.0, 0.375, 0.29906634], [0.50000028, 0.375, 0.43198469], [0.74999931, 0.625, 0.03322964], [0.24999959, 0.625, 0.16614799], [0.74999986, 0.625, 0.29906634], [0.25000014, 0.625, 0.43198469], [0.49999972, 0.125, 0.09968881], [0.0, 0.125, 0.23260716], [0.50000028, 0.125, 0.36552552], [5.5e-07, 0.125, 0.49844387], [0.99999945, 0.125, 0.09968881], [0.49999972, 0.125, 0.23260716], [0.0, 0.125, 0.36552552], [0.50000028, 0.125, 0.49844387], [0.24999959, 0.625, 0.03322964], [0.74999986, 0.625, 0.16614799], [0.25000014, 0.625, 0.29906634], [0.75000041, 0.625, 0.43198469]], 'elements': ['B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As'], 'abc': [6.81157, 4.81651, 25.62315], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the initial atomic structure data (initial_atoms) for the surface identified as {}?"}
{"question": "Find the Bader atomic volumes for the material with ID decdb5587d2f1df7-desc.", "refer_dataset": "table43", "column names": ["id", "bader_atomic_volumes"], "condition_column": ["id"], "answer_column": ["bader_atomic_volumes"], "condition": {"id": "decdb5587d2f1df7-desc"}, "tool": "search_value", "answer": {"bader_atomic_volumes": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Bader atomic volumes for the material with ID {}."}
{"question": "Determine the energy above hull for a material with unit cell formula {'Pr': 1.0, 'In': 1.0, 'Pd': 2.0} and 4 sites.", "refer_dataset": "table55", "column names": ["unit_cell_formula", "nsites", "e_above_hull"], "condition_column": ["unit_cell_formula", "nsites"], "answer_column": ["e_above_hull"], "condition": {"unit_cell_formula": "{'Pr': 1.0, 'In': 1.0, 'Pd': 2.0}", "nsites": "4"}, "tool": "search_value", "answer": {"e_above_hull": "0.0186381496212133"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the energy above hull for a material with unit cell formula {} and {} sites."}
{"question": "What is the HSE-calculated bandgap for the material with a PBE lattice constant of 6.36 Å and a tolerance factor of 0.922?", "refer_dataset": "table49", "column names": ["PBE_latt_const", "Tol", "HSE_gap"], "condition_column": ["PBE_latt_const", "Tol"], "answer_column": ["HSE_gap"], "condition": {"PBE_latt_const": "6.36", "Tol": "0.922"}, "tool": "search_value", "answer": {"HSE_gap": "2.57"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HSE-calculated bandgap for the material with a PBE lattice constant of {} Å and a tolerance factor of {}?"}
{"question": "Identify the Log_fom value for a material with a PBE mixing energy of 0.0 eV and an HSE decomposition energy of 1.48 eV.", "refer_dataset": "table49", "column names": ["PBE_mix_energy", "HSE_decomp_energy", "Log_fom"], "condition_column": ["PBE_mix_energy", "HSE_decomp_energy"], "answer_column": ["Log_fom"], "condition": {"PBE_mix_energy": "0.0", "HSE_decomp_energy": "1.48"}, "tool": "search_value", "answer": {"Log_fom": "5.3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the Log_fom value for a material with a PBE mixing energy of {} eV and an HSE decomposition energy of {} eV."}
{"question": "Which material ID corresponds to a exfoliation energy per atom of -0.055817563333333986?", "refer_dataset": "table67", "column names": ["exfoliation_energy_per_atom", "material_id"], "condition_column": ["exfoliation_energy_per_atom"], "answer_column": ["material_id"], "condition": {"exfoliation_energy_per_atom": "-0.055817563333333986"}, "tool": "search_value", "answer": {"material_id": "2dm-4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which material ID corresponds to a exfoliation energy per atom of {}?"}
{"question": "What is the PBE decomposition energy for the perovskite material identified by Perov-4?", "refer_dataset": "table49", "column names": ["id", "PBE_decomp_energy"], "condition_column": ["id"], "answer_column": ["PBE_decomp_energy"], "condition": {"id": "Perov-4"}, "tool": "search_value", "answer": {"PBE_decomp_energy": "-0.25"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the PBE decomposition energy for the perovskite material identified by {}?"}
{"question": "What is the value of feature 9 in perovskite BaRuO3 when feature 5 is -0.02035?", "refer_dataset": "table14", "column names": ["Perovskite", "5", "9"], "condition_column": ["Perovskite", "5"], "answer_column": ["9"], "condition": {"Perovskite": "BaRuO3", "5": "-0.02035"}, "tool": "search_value", "answer": {"9": "0.014568"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the value of feature 9 in perovskite {} when feature 5 is {}?"}
{"question": "Retrieve the formula_energy for the chemical formula MoS2.", "refer_dataset": "table64", "column names": ["formula", "formula_energy"], "condition_column": ["formula"], "answer_column": ["formula_energy"], "condition": {"formula": "MoS2"}, "tool": "search_value", "answer": {"formula_energy": "-0.95401032496"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the formula_energy for the chemical formula {}."}
{"question": "What is the total dielectric constant (diel_tot) of the material using the 9.89731 method?", "refer_dataset": "table58", "column names": ["diel_tot", "method"], "condition_column": ["diel_tot"], "answer_column": ["method"], "condition": {"diel_tot": "9.89731"}, "tool": "search_value", "answer": {"method": "minima-hopping"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total dielectric constant (diel_tot) of the material using the {} method?"}
{"question": "What is the density (g/cm³) of the compound with the formula Al3Ce1Ni2?", "refer_dataset": "table31", "column names": ["0", "6"], "condition_column": ["0"], "answer_column": ["6"], "condition": {"0": "Al3Ce1Ni2"}, "tool": "search_value", "answer": {"6": "0.00000g/cm3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the density (g/cm³) of the compound with the formula {}?"}
{"question": "Find the defective energy value for the job identifier JVASP-25273 and its Wyckoff position a.", "refer_dataset": "table68", "column names": ["jid", "wycoff", "defective_energy"], "condition_column": ["jid", "wycoff"], "answer_column": ["defective_energy"], "condition": {"jid": "JVASP-25273", "wycoff": "a"}, "tool": "search_value", "answer": {"defective_energy": "57.64338493"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the defective energy value for the job identifier {} and its Wyckoff position {}."}
{"question": "Determine the polarizability (alpha) of the material correlated with a dipole moment of 1.625599980354309.", "refer_dataset": "table60", "column names": ["mu", "alpha"], "condition_column": ["mu"], "answer_column": ["alpha"], "condition": {"mu": "1.625599980354309"}, "tool": "search_value", "answer": {"alpha": "9.460000038146973"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the polarizability (alpha) of the material correlated with a dipole moment of {}."}
{"question": "Determine the shear modulus resistance of material Mo3P:", "refer_dataset": "table56", "column names": ["formula", "shear modulus"], "condition_column": ["formula"], "answer_column": ["shear modulus"], "condition": {"formula": "Mo3P"}, "tool": "search_value", "answer": {"shear modulus": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the shear modulus resistance of material {}:"}
{"question": "Find the magnetic moment (magmom_oszicar) for the material with formula TiCuSiAs and bulk modulus of na GPa.", "refer_dataset": "table47", "column names": ["formula", "bulk_modulus_kv", "magmom_oszicar"], "condition_column": ["formula", "bulk_modulus_kv"], "answer_column": ["magmom_oszicar"], "condition": {"formula": "TiCuSiAs", "bulk_modulus_kv": "na"}, "tool": "search_value", "answer": {"magmom_oszicar": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the magnetic moment (magmom_oszicar) for the material with formula {} and bulk modulus of {} GPa."}
{"question": "Identify the Reaction energy (ReactionE) for a Composition of BeB and Base Be.", "refer_dataset": "table24", "column names": ["Composition", "Base", "ReactionE"], "condition_column": ["Composition", "Base"], "answer_column": ["ReactionE"], "condition": {"Composition": "BeB", "Base": "Be"}, "tool": "search_value", "answer": {"ReactionE": "-0.1687564622"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the Reaction energy (ReactionE) for a Composition of {} and Base {}."}
{"question": "What is the R-factor observed (Robs) for the COD file 1000028?", "refer_dataset": "table38", "column names": ["file", "Robs"], "condition_column": ["file"], "answer_column": ["Robs"], "condition": {"file": "1000028"}, "tool": "search_value", "answer": {"Robs": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the R-factor observed (Robs) for the COD file {}?"}
{"question": "What is the dipole moment (mu) of the sample identified by 5?", "refer_dataset": "table61", "column names": ["id", "mu"], "condition_column": ["id"], "answer_column": ["mu"], "condition": {"id": "5"}, "tool": "search_value", "answer": {"mu": "0.14680008939016"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the dipole moment (mu) of the sample identified by {}?"}
{"question": "What geometric shape (polyhedron) surrounds the lanthanide ion in compound [Pc2Tb]TBA?", "refer_dataset": "table34", "column names": ["compound", "closest_polyhedron"], "condition_column": ["compound"], "answer_column": ["closest_polyhedron"], "condition": {"compound": "[Pc2Tb]TBA"}, "tool": "search_value", "answer": {"closest_polyhedron": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What geometric shape (polyhedron) surrounds the lanthanide ion in compound {}?"}
{"question": "Find the HSE band gap energy (hse_gap) of the material classified as 7.5803 processed using the poly_acrylonitrile method.", "refer_dataset": "table58", "column names": ["hse_gap", "label", "method"], "condition_column": ["hse_gap", "label"], "answer_column": ["method"], "condition": {"hse_gap": "7.5803", "label": "poly_acrylonitrile"}, "tool": "search_value", "answer": {"method": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the HSE band gap energy (hse_gap) of the material classified as {} processed using the {} method."}
{"question": "What M06 HOMO value corresponds to an entry ID of 5?", "refer_dataset": "table51", "column names": ["id", "m06_homo"], "condition_column": ["id"], "answer_column": ["m06_homo"], "condition": {"id": "5"}, "tool": "search_value", "answer": {"m06_homo": "-0.228"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What M06 HOMO value corresponds to an entry ID of {}?"}
{"question": "What is the dipole moment (mu) for the material with identifier 9.0?", "refer_dataset": "table60", "column names": ["id", "mu"], "condition_column": ["id"], "answer_column": ["mu"], "condition": {"id": "9.0"}, "tool": "search_value", "answer": {"mu": "3.8266000747680655"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the dipole moment (mu) for the material with identifier {}?"}
{"question": "Find the heat capacity at constant volume (Cv) for the sample with identifier 3.", "refer_dataset": "table61", "column names": ["id", "Cv"], "condition_column": ["id"], "answer_column": ["Cv"], "condition": {"id": "3"}, "tool": "search_value", "answer": {"Cv": "-6.29834488537368"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the heat capacity at constant volume (Cv) for the sample with identifier {}."}
{"question": "At what pH does material MIL-101 achieve 53.0% degradation efficiency with illumination time 15 minutes?", "refer_dataset": "table6", "column names": ["Material", "Degradation efficiency (%)", "Illumination time (min)", "pH"], "condition_column": ["Material", "Degradation efficiency (%)", "Illumination time (min)"], "answer_column": ["pH"], "condition": {"Material": "MIL-101", "Degradation efficiency (%)": "53.0", "Illumination time (min)": "15"}, "tool": "search_value", "answer": {"pH": "4.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what pH does material {} achieve {}% degradation efficiency with illumination time {} minutes?"}
{"question": "What is the radius ratio (Ra/Rb) for the material composition AgTa0.8Nb0.2O3?", "refer_dataset": "table2", "column names": ["Materials", "Ra/Rb"], "condition_column": ["Materials"], "answer_column": ["Ra/Rb"], "condition": {"Materials": "AgTa0.8Nb0.2O3"}, "tool": "search_value", "answer": {"Ra/Rb": "1.042"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the radius ratio (Ra/Rb) for the material composition {}?"}
{"question": "What formation energy (e_form) does the material TaO3 have if its elastic anisotropy is 5.895307036915481?", "refer_dataset": "table56", "column names": ["formula", "elastic anisotropy", "e_form"], "condition_column": ["formula", "elastic anisotropy"], "answer_column": ["e_form"], "condition": {"formula": "TaO3", "elastic anisotropy": "5.895307036915481"}, "tool": "search_value", "answer": {"e_form": "-2.8018347596875"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What formation energy (e_form) does the material {} have if its elastic anisotropy is {}?"}
{"question": "What chemical formula corresponds to ID 1305 and formula_energy -2.66534476833?", "refer_dataset": "table64", "column names": ["id", "formula_energy", "formula"], "condition_column": ["id", "formula_energy"], "answer_column": ["formula"], "condition": {"id": "1305", "formula_energy": "-2.66534476833"}, "tool": "search_value", "answer": {"formula": "K2O3Si"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What chemical formula corresponds to ID {} and formula_energy {}?"}
{"question": "What methane partial pressure corresponds to a contact duration of 3.44?", "refer_dataset": "table20", "column names": ["Contact-times", "CH4-pressure"], "condition_column": ["Contact-times"], "answer_column": ["CH4-pressure"], "condition": {"Contact-times": "3.44"}, "tool": "search_value", "answer": {"CH4-pressure": "0.65"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What methane partial pressure corresponds to a contact duration of {}?"}
{"question": "Is phonon data available for the material AlCu?", "refer_dataset": "table53", "column names": ["formula", "phon_dat"], "condition_column": ["formula"], "answer_column": ["phon_dat"], "condition": {"formula": "AlCu"}, "tool": "search_value", "answer": {"phon_dat": "Available"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Is phonon data available for the material {}?"}
{"question": "What is the M06 Scharber Voc for the entry where the M06 gap is 0.294?", "refer_dataset": "table51", "column names": ["m06_gap", "m06_scharber_voc"], "condition_column": ["m06_gap"], "answer_column": ["m06_scharber_voc"], "condition": {"m06_gap": "0.294"}, "tool": "search_value", "answer": {"m06_scharber_voc": "2.9919762755"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the M06 Scharber Voc for the entry where the M06 gap is {}?"}
{"question": "What are the elastic properties of the material composed of ['Fe', 'Li', 'S'] with a density of 2.337936405134654?", "refer_dataset": "table55", "column names": ["elements", "density", "elasticity"], "condition_column": ["elements", "density"], "answer_column": ["elasticity"], "condition": {"elements": "['Fe', 'Li', 'S']", "density": "2.337936405134654"}, "tool": "search_value", "answer": {"elasticity": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What are the elastic properties of the material composed of {} with a density of {}?"}
{"question": "What is the ionic dielectric contribution (diel_ion) for the entry sourced from 5.67638?", "refer_dataset": "table58", "column names": ["diel_ion", "src"], "condition_column": ["diel_ion"], "answer_column": ["src"], "condition": {"diel_ion": "5.67638"}, "tool": "search_value", "answer": {"src": "Huan_etal:SciDat(submitted)"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ionic dielectric contribution (diel_ion) for the entry sourced from {}?"}
{"question": "What is the primary material of the catalyst labeled Ag in IL?", "refer_dataset": "table12", "column names": ["Catalyst label", "Material"], "condition_column": ["Catalyst label"], "answer_column": ["Material"], "condition": {"Catalyst label": "Ag in IL"}, "tool": "search_value", "answer": {"Material": "Ag"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the primary material of the catalyst labeled {}?"}
{"question": "Which reference (Ref.) corresponds to the perovskite oxide LaMg0.2Cr0.8O3 aged for 5 hours with desorption at 100℃?", "refer_dataset": "table11", "column names": ["Molecular formulas", "AH (h)", "DT (℃)", "Ref."], "condition_column": ["Molecular formulas", "AH (h)", "DT (℃)"], "answer_column": ["Ref."], "condition": {"Molecular formulas": "LaMg0.2Cr0.8O3", "AH (h)": "5", "DT (℃)": "100"}, "tool": "search_value", "answer": {"Ref.": "[29]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which reference (Ref.) corresponds to the perovskite oxide {} aged for {} hours with desorption at {}℃?"}
{"question": "What is the indirect band gap of the compound in the '/rk2/knc6/UniveralTB/julia_data/Mg_F_kspace/POSCAR_irn2_38_vnscf_vol_1' source folder with a space group number of 187 and 3 atoms?", "refer_dataset": "table59", "column names": ["source_folder", "spacegroup_number", "natoms", "indir_gap"], "condition_column": ["source_folder", "spacegroup_number", "natoms"], "answer_column": ["indir_gap"], "condition": {"source_folder": "'/rk2/knc6/UniveralTB/julia_data/Mg_F_kspace/POSCAR_irn2_38_vnscf_vol_1'", "spacegroup_number": "187", "natoms": "3"}, "tool": "search_value", "answer": {"indir_gap": "6.082"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the indirect band gap of the compound in the {} source folder with a space group number of {} and {} atoms?"}
{"question": "Identify the decomposition phases for the material with formula Ac10(GePb)3 and energy above hull of 0.04604094 eV.", "refer_dataset": "table44", "column names": ["formula", "e_above_hull", "decomposition"], "condition_column": ["formula", "e_above_hull"], "answer_column": ["decomposition"], "condition": {"formula": "Ac10(GePb)3", "e_above_hull": "0.04604094"}, "tool": "search_value", "answer": {"decomposition": " Ac4Ge3  Ac  Ac5Pb3 "}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the decomposition phases for the material with formula {} and energy above hull of {} eV."}
{"question": "Find the LUMO energy level (eV) for the compound with species CH3SeH.", "refer_dataset": "table46", "column names": ["species", "lumo"], "condition_column": ["species"], "answer_column": ["lumo"], "condition": {"species": "CH3SeH"}, "tool": "search_value", "answer": {"lumo": "0.01314"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the LUMO energy level (eV) for the compound with species {}."}
{"question": "What is the total energy after optimization (final_energy) for a system where the OptB88-vdW bandgap is -168.5512116?", "refer_dataset": "table52", "column names": ["final_energy", "optb88vdw_bandgap"], "condition_column": ["final_energy"], "answer_column": ["optb88vdw_bandgap"], "condition": {"final_energy": "-168.5512116"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "-0.4502999999999995"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total energy after optimization (final_energy) for a system where the OptB88-vdW bandgap is {}?"}
{"question": "What is the reference number (Ref.) for the perovskite oxide LaCrO3 synthesized via method 3 at 600℃?", "refer_dataset": "table11", "column names": ["Molecular formulas", "PM", "CT (℃)", "Ref."], "condition_column": ["Molecular formulas", "PM", "CT (℃)"], "answer_column": ["Ref."], "condition": {"Molecular formulas": "LaCrO3", "PM": "3", "CT (℃)": "600"}, "tool": "search_value", "answer": {"Ref.": "[29]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the reference number (Ref.) for the perovskite oxide {} synthesized via method {} at {}℃?"}
{"question": "What is the Fermi energy level (efermi) of surface Surface-JVASP-15348_miller_1_1_0_thickness_16_VASP_PBE_noDP composed of BeAlB when the SCF conduction band minimum is 7.286?", "refer_dataset": "table66", "column names": ["name", "formula", "scf_cbm", "efermi"], "condition_column": ["name", "formula", "scf_cbm"], "answer_column": ["efermi"], "condition": {"name": "Surface-JVASP-15348_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "BeAlB", "scf_cbm": "7.286"}, "tool": "search_value", "answer": {"efermi": "-2.37028591"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Fermi energy level (efermi) of surface {} composed of {} when the SCF conduction band minimum is {}?"}
{"question": "What is the MBJ bandgap for the material with formula TiCuSiAs and space group number 129?", "refer_dataset": "table47", "column names": ["formula", "spg_number", "mbj_bandgap"], "condition_column": ["formula", "spg_number"], "answer_column": ["mbj_bandgap"], "condition": {"formula": "TiCuSiAs", "spg_number": "129"}, "tool": "search_value", "answer": {"mbj_bandgap": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the MBJ bandgap for the material with formula {} and space group number {}?"}
{"question": "What geometric shape (polyhedron) surrounds the lanthanide ion in compound [Pc2Dy]TBA:[Pc2Y]TBA = 1/50?", "refer_dataset": "table34", "column names": ["compound", "closest_polyhedron"], "condition_column": ["compound"], "answer_column": ["closest_polyhedron"], "condition": {"compound": "[Pc2Dy]TBA:[Pc2Y]TBA = 1/50"}, "tool": "search_value", "answer": {"closest_polyhedron": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What geometric shape (polyhedron) surrounds the lanthanide ion in compound {}?"}
{"question": "Which parsed authors correspond to papers in gr-qc category published in Phys.Rev.D76:044016,2007 journal?", "refer_dataset": "table45", "column names": ["categories", "journal-ref", "authors_parsed"], "condition_column": ["categories", "journal-ref"], "answer_column": ["authors_parsed"], "condition": {"categories": "gr-qc", "journal-ref": "Phys.Rev.D76:044016,2007"}, "tool": "search_value", "answer": {"authors_parsed": "[['Corichi', 'Alejandro', ''], ['Vukasinac', 'Tatjana', ''], ['Zapata', 'Jose A.', '']]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which parsed authors correspond to papers in {} category published in {} journal?"}
{"question": "What license type governs the distribution of Partial cubes: structures, characterizations, and constructions?", "refer_dataset": "table45", "column names": ["title", "license"], "condition_column": ["title"], "answer_column": ["license"], "condition": {"title": "Partial cubes: structures, characterizations, and constructions"}, "tool": "search_value", "answer": {"license": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What license type governs the distribution of {}?"}
{"question": "Find the Ni composition for a sample where Mg is 0.2 and J.uAcm2_0.63_initialCA is 2027.105.", "refer_dataset": "table16", "column names": ["Mg", "J.uAcm2_0.63_initialCA", "Ni"], "condition_column": ["Mg", "J.uAcm2_0.63_initialCA"], "answer_column": ["Ni"], "condition": {"Mg": "0.2", "J.uAcm2_0.63_initialCA": "2027.105"}, "tool": "search_value", "answer": {"Ni": "0.3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Ni composition for a sample where Mg is {} and J.uAcm2_0.63_initialCA is {}."}
{"question": "What is the density of element B (ρb) for materials with RH2 = 63.0 µmol h-1 g-1 and molar mass (M) = 234.14 g/mol?", "refer_dataset": "table3", "column names": ["RH2(µmol h-1 g-1)", "M", "ρb"], "condition_column": ["RH2(µmol h-1 g-1)", "M"], "answer_column": ["ρb"], "condition": {"RH2(µmol h-1 g-1)": "63.0", "M": "234.14"}, "tool": "search_value", "answer": {"ρb": "4.62"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the density of element B (ρb) for materials with RH2 = {} µmol h-1 g-1 and molar mass (M) = {} g/mol?"}
{"question": "Identify the reference identifier for a material with primary B site Ti, secondary B2 site Rh, and cycle3 performance -.", "refer_dataset": "table5", "column names": ["B site", "B2 site", "cycle3", "Ref"], "condition_column": ["B site", "B2 site", "cycle3"], "answer_column": ["Ref"], "condition": {"B site": "Ti", "B2 site": "Rh", "cycle3": "-"}, "tool": "search_value", "answer": {"Ref": "[A85]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the reference identifier for a material with primary B site {}, secondary B2 site {}, and cycle3 performance {}."}
{"question": "For material ID 1305, what formula_energy is recorded if the formula is K2O3Si?", "refer_dataset": "table64", "column names": ["id", "formula", "formula_energy"], "condition_column": ["id", "formula"], "answer_column": ["formula_energy"], "condition": {"id": "1305", "formula": "K2O3Si"}, "tool": "search_value", "answer": {"formula_energy": "-2.66534476833"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For material ID {}, what formula_energy is recorded if the formula is {}?"}
{"question": "What is the secondary B site element in a material with a primary A site of Ba, tertiary A site of Pr, and formation energy of -1.37296125271 eV/atom?", "refer_dataset": "table35", "column names": ["A site #1", "A site #3", "formation_energy (eV/atom)", "B site #2"], "condition_column": ["A site #1", "A site #3", "formation_energy (eV/atom)"], "answer_column": ["B site #2"], "condition": {"A site #1": "Ba", "A site #3": "Pr", "formation_energy (eV/atom)": "-1.37296125271"}, "tool": "search_value", "answer": {"B site #2": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary B site element in a material with a primary A site of {}, tertiary A site of {}, and formation energy of {} eV/atom?"}
{"question": "Identify the perovskite with a similarity score of LiVO3.", "refer_dataset": "table14", "column names": ["Perovskite", "similarity"], "condition_column": ["Perovskite"], "answer_column": ["similarity"], "condition": {"Perovskite": "LiVO3"}, "tool": "search_value", "answer": {"similarity": "0.293476"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the perovskite with a similarity score of {}."}
{"question": "What reactor volume (mL) corresponds to experiments with a total product yield of 35.0 mmol/g?", "refer_dataset": "table7", "column names": ["total", "Reactor_Volume"], "condition_column": ["total"], "answer_column": ["Reactor_Volume"], "condition": {"total": "35.0"}, "tool": "search_value", "answer": {"Reactor_Volume": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reactor volume (mL) corresponds to experiments with a total product yield of {} mmol/g?"}
{"question": "What activation energy (eV) corresponds to adsorbed species CHCO*?", "refer_dataset": "table18", "column names": ["ab", "activation_energy"], "condition_column": ["ab"], "answer_column": ["activation_energy"], "condition": {"ab": "CHCO*"}, "tool": "search_value", "answer": {"activation_energy": "0.75"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What activation energy (eV) corresponds to adsorbed species {}?"}
{"question": "What is the superconducting transition temperature (Tc) of the material with ID 1721?", "refer_dataset": "table65", "column names": ["id", "Tc"], "condition_column": ["id"], "answer_column": ["Tc"], "condition": {"id": "1721"}, "tool": "search_value", "answer": {"Tc": "5.27"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the superconducting transition temperature (Tc) of the material with ID {}?"}
{"question": "What country hosts the CAEP research institution?", "refer_dataset": "table13", "column names": ["Facility", "Country"], "condition_column": ["Facility"], "answer_column": ["Country"], "condition": {"Facility": "CAEP"}, "tool": "search_value", "answer": {"Country": "Peoples R China"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What country hosts the {} research institution?"}
{"question": "What illumination time (min) is required for material MIL-101 at pH 4.1 to reach 61.0% degradation efficiency?", "refer_dataset": "table6", "column names": ["Material", "pH", "Degradation efficiency (%)", "Illumination time (min)"], "condition_column": ["Material", "pH", "Degradation efficiency (%)"], "answer_column": ["Illumination time (min)"], "condition": {"Material": "MIL-101", "pH": "4.1", "Degradation efficiency (%)": "61.0"}, "tool": "search_value", "answer": {"Illumination time (min)": "10"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What illumination time (min) is required for material {} at pH {} to reach {}% degradation efficiency?"}
{"question": "Find the formation energy per atom for the Mg-F compound with 3 atoms, job ID JQE-209, and stress tensor [[0.0010782221740506493, 0.0, 0.0], [0.0, 0.0009447864252640191, 0.0], [0.0, 0.0, 0.005778474378896387]]?", "refer_dataset": "table59", "column names": ["natoms", "jid", "stress", "f_enp"], "condition_column": ["natoms", "jid", "stress"], "answer_column": ["f_enp"], "condition": {"natoms": "3", "jid": "JQE-209", "stress": "[[0.0010782221740506493, 0.0, 0.0], [0.0, 0.0009447864252640191, 0.0], [0.0, 0.0, 0.005778474378896387]]"}, "tool": "search_value", "answer": {"f_enp": "-3.1014"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the formation energy per atom for the Mg-F compound with {} atoms, job ID {}, and stress tensor {}?"}
{"question": "What is the energy gap (gap) for the material identified by 6.0?", "refer_dataset": "table60", "column names": ["id", "gap"], "condition_column": ["id"], "answer_column": ["gap"], "condition": {"id": "6.0"}, "tool": "search_value", "answer": {"gap": "12.0437593460083"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy gap (gap) for the material identified by {}?"}
{"question": "What is the ionic contribution to the Goldschmidt tolerance factor when the total tolerance factor is 0.915258298018?", "refer_dataset": "table37", "column names": ["goldschmidt_TF", "goldschmidt_TF_ionic"], "condition_column": ["goldschmidt_TF"], "answer_column": ["goldschmidt_TF_ionic"], "condition": {"goldschmidt_TF": "0.915258298018"}, "tool": "search_value", "answer": {"goldschmidt_TF_ionic": "0.921958457009"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ionic contribution to the Goldschmidt tolerance factor when the total tolerance factor is {}?"}
{"question": "List the elements present in the material with formula Ac stored at extra/batch-002/Ac/Ac/xxx_02a-00_agm003157511_spg194?", "refer_dataset": "table44", "column names": ["formula", "location", "elements"], "condition_column": ["formula", "location"], "answer_column": ["elements"], "condition": {"formula": "Ac", "location": "extra/batch-002/Ac/Ac/xxx_02a-00_agm003157511_spg194"}, "tool": "search_value", "answer": {"elements": "['Ac']"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "List the elements present in the material with formula {} stored at {}?"}
{"question": "What is the activation energy (eV) for surface -111 (identifier 4) with adsorbed hydrogen CO?", "refer_dataset": "table18", "column names": ["surfaces", "surfaces_key", "a", "activation_energy"], "condition_column": ["surfaces", "surfaces_key", "a"], "answer_column": ["activation_energy"], "condition": {"surfaces": "-111", "surfaces_key": "4", "a": "CO"}, "tool": "search_value", "answer": {"activation_energy": "4.133"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the activation energy (eV) for surface {} (identifier {}) with adsorbed hydrogen {}?"}
{"question": "Which primary metal (M1) is used with the support material Lu?", "refer_dataset": "table28", "column names": ["Support", "M1"], "condition_column": ["Support"], "answer_column": ["M1"], "condition": {"Support": "Lu"}, "tool": "search_value", "answer": {"M1": "none"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which primary metal (M1) is used with the support material {}?"}
{"question": "What is the electronic band gap energy value for the material with database entry ID 472985.0?", "refer_dataset": "table57", "column names": ["_oqmd_entry_id", "_oqmd_band_gap"], "condition_column": ["_oqmd_entry_id"], "answer_column": ["_oqmd_band_gap"], "condition": {"_oqmd_entry_id": "472985.0"}, "tool": "search_value", "answer": {"_oqmd_band_gap": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic band gap energy value for the material with database entry ID {}?"}
{"question": "What is the abstract of the paper titled The Spitzer c2d Survey of Large, Nearby, Insterstellar Clouds. IX. The\n  Serpens YSO Population As Observed With IRAC and MIPS, submitted by Paul Harvey?", "refer_dataset": "table45", "column names": ["title", "submitter", "abstract"], "condition_column": ["title", "submitter"], "answer_column": ["abstract"], "condition": {"title": "The Spitzer c2d Survey of Large, Nearby, Insterstellar Clouds. IX. The\n  Serpens YSO Population As Observed With IRAC and MIPS", "submitter": "Paul Harvey"}, "tool": "search_value", "answer": {"abstract": "  We discuss the results from the combined IRAC and MIPS c2d Spitzer Legacy\nobservations of the Serpens star-forming region. In particular we present a set\nof criteria for isolating bona fide young stellar objects, YSO's, from the\nextensive background contamination by extra-galactic objects. We then discuss\nthe properties of the resulting high confidence set of YSO's. We find 235 such\nobjects in the 0.85 deg^2 field that was covered with both IRAC and MIPS. An\nadditional set of 51 lower confidence YSO's outside this area is identified\nfrom the MIPS data combined with 2MASS photometry. We describe two sets of\nresults, color-color diagrams to compare our observed source properties with\nthose of theoretical models for star/disk/envelope systems and our own modeling\nof the subset of our objects that appear to be star+disks. These objects\nexhibit a very wide range of disk properties, from many that can be fit with\nactively accreting disks to some with both passive disks and even possibly\ndebris disks. We find that the luminosity function of YSO's in Serpens extends\ndown to at least a few x .001 Lsun or lower for an assumed distance of 260 pc.\nThe lower limit may be set by our inability to distinguish YSO's from\nextra-galactic sources more than by the lack of YSO's at very low luminosities.\nA spatial clustering analysis shows that the nominally less-evolved YSO's are\nmore highly clustered than the later stages and that the background\nextra-galactic population can be fit by the same two-point correlation function\nas seen in other extra-galactic studies. We also present a table of matches\nbetween several previous infrared and X-ray studies of the Serpens YSO\npopulation and our Spitzer data set.\n"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the abstract of the paper titled {}, submitted by {}?"}
{"question": "Determine the lattice parameter (Å) when the unit cell volume is 60.683531843, element E has an atomic number of 8, and Dn is 0?", "refer_dataset": "table22", "column names": ["Volume", "E_AtomN", "Dn", "Lattice"], "condition_column": ["Volume", "E_AtomN", "Dn"], "answer_column": ["Lattice"], "condition": {"Volume": "60.683531843", "E_AtomN": "8", "Dn": "0"}, "tool": "search_value", "answer": {"Lattice": "3.9296778574"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the lattice parameter (Å) when the unit cell volume is {}, element E has an atomic number of {}, and Dn is {}?"}
{"question": "How much Nickel (%) is required to achieve a gamma prime size of 80.6 nm with aging time 2.1h and aging temperature 16.0°C?", "refer_dataset": "table39", "column names": ["Ni", "γ＇相尺寸 (nm)", "时效时间t (h)", "时效温度T (℃)"], "condition_column": ["Ni", "γ＇相尺寸 (nm)", "时效时间t (h)"], "answer_column": ["时效温度T (℃)"], "condition": {"Ni": "80.6", "γ＇相尺寸 (nm)": "2.1", "时效时间t (h)": "16.0"}, "tool": "search_value", "answer": {"时效温度T (℃)": "600.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How much Nickel (%) is required to achieve a gamma prime size of {} nm with aging time {}h and aging temperature {}°C?"}
{"question": "What comments or metadata accompany the paper Polymer Quantum Mechanics and its Continuum Limit?", "refer_dataset": "table45", "column names": ["title", "comments"], "condition_column": ["title"], "answer_column": ["comments"], "condition": {"title": "Polymer Quantum Mechanics and its Continuum Limit"}, "tool": "search_value", "answer": {"comments": "16 pages, no figures. Typos corrected to match published version"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What comments or metadata accompany the paper {}?"}
{"question": "For the perovskite compound CaIn2O4, what is the cycle5 performance when the primary A site is Ca and the primary B site is In?", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "A site", "B site", "cycle5"], "condition_column": ["Full Name of Perovskite", "A site", "B site"], "answer_column": ["cycle5"], "condition": {"Full Name of Perovskite": "CaIn2O4", "A site": "Ca", "B site": "In"}, "tool": "search_value", "answer": {"cycle5": "-"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the perovskite compound {}, what is the cycle5 performance when the primary A site is {} and the primary B site is {}?"}
{"question": "Calculate the delta_e for a material with band gap 0.0 and stability 0.63348814435345.", "refer_dataset": "table57", "column names": ["_oqmd_band_gap", "_oqmd_stability", "_oqmd_delta_e"], "condition_column": ["_oqmd_band_gap", "_oqmd_stability"], "answer_column": ["_oqmd_delta_e"], "condition": {"_oqmd_band_gap": "0.0", "_oqmd_stability": "0.63348814435345"}, "tool": "search_value", "answer": {"_oqmd_delta_e": "0.22276803810345"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the delta_e for a material with band gap {} and stability {}."}
{"question": "Report the surface conduction band minimum (surf_cbm) of surface structure Surface-JVASP-7630_miller_1_1_0_thickness_16_VASP_PBE_noDP.", "refer_dataset": "table66", "column names": ["name", "surf_cbm"], "condition_column": ["name"], "answer_column": ["surf_cbm"], "condition": {"name": "Surface-JVASP-7630_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"surf_cbm": "0.918"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the surface conduction band minimum (surf_cbm) of surface structure {}."}
{"question": "What is the OptB88vdW bandgap for the material with formula Ba4NaBi?", "refer_dataset": "table47", "column names": ["formula", "optb88vdw_bandgap"], "condition_column": ["formula"], "answer_column": ["optb88vdw_bandgap"], "condition": {"formula": "Ba4NaBi"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the OptB88vdW bandgap for the material with formula {}?"}
{"question": "What is the Methane adsorption energy (CH4Ead) when the Composition is BeH and Dope is H?", "refer_dataset": "table24", "column names": ["Composition", "Dope", "CH4Ead"], "condition_column": ["Composition", "Dope"], "answer_column": ["CH4Ead"], "condition": {"Composition": "BeH", "Dope": "H"}, "tool": "search_value", "answer": {"CH4Ead": "0.9920012573"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Methane adsorption energy (CH4Ead) when the Composition is {} and Dope is {}?"}
{"question": "Which support material is used for the catalyst containing the metal component Rh?", "refer_dataset": "table29", "column names": ["MetalPart", "Support"], "condition_column": ["MetalPart"], "answer_column": ["Support"], "condition": {"MetalPart": "Rh"}, "tool": "search_value", "answer": {"Support": "Ni"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which support material is used for the catalyst containing the metal component {}?"}
{"question": "What is the hydrogen production rate (RH2) for the photocatalyst with molecular formula Bi0.5Na0.5TiO3?", "refer_dataset": "table1", "column names": ["Molecular formula", "RH2(µmol h-1 g-1)"], "condition_column": ["Molecular formula"], "answer_column": ["RH2(µmol h-1 g-1)"], "condition": {"Molecular formula": "Bi0.5Na0.5TiO3"}, "tool": "search_value", "answer": {"RH2(µmol h-1 g-1)": "325.4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the hydrogen production rate (RH2) for the photocatalyst with molecular formula {}?"}
{"question": "What is the chemical potential value recorded for the entry ID JVASP-14604_Ba_a?", "refer_dataset": "table68", "column names": ["id", "chem_pot"], "condition_column": ["id"], "answer_column": ["chem_pot"], "condition": {"id": "JVASP-14604_Ba_a"}, "tool": "search_value", "answer": {"chem_pot": "0.32495403"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical potential value recorded for the entry ID {}?"}
{"question": "Determine Y concentration when Ca is 0.0 and La is 1.0.", "refer_dataset": "table16", "column names": ["Ca", "La", "Y"], "condition_column": ["Ca", "La"], "answer_column": ["Y"], "condition": {"Ca": "0.0", "La": "1.0"}, "tool": "search_value", "answer": {"Y": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine Y concentration when Ca is {} and La is {}."}
{"question": "What is the quaternary cation identifier when its molar percentage is 0.8?", "refer_dataset": "table20", "column names": ["Cation4-mol", "Cation4"], "condition_column": ["Cation4-mol"], "answer_column": ["Cation4"], "condition": {"Cation4-mol": "0.8"}, "tool": "search_value", "answer": {"Cation4": "19.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the quaternary cation identifier when its molar percentage is {}?"}
{"question": "Calculate the first ionization energy of element B (I1b) in materials with Ra = 104.87 Å, χpb = 1.82, and A_Tb = 3229.78 K.", "refer_dataset": "table3", "column names": ["Ra", "χpb", "A_Tb", "I1b"], "condition_column": ["Ra", "χpb", "A_Tb"], "answer_column": ["I1b"], "condition": {"Ra": "104.87", "χpb": "1.82", "A_Tb": "3229.78"}, "tool": "search_value", "answer": {"I1b": "7.862"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the first ionization energy of element B (I1b) in materials with Ra = {} Å, χpb = {}, and A_Tb = {} K."}
{"question": "What is the formation enthalpy at 298K (kJ/mol) for the compound named 8?", "refer_dataset": "table46", "column names": ["name", "enthalpy_formation_298K"], "condition_column": ["name"], "answer_column": ["enthalpy_formation_298K"], "condition": {"name": "8"}, "tool": "search_value", "answer": {"enthalpy_formation_298K": "na"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation enthalpy at 298K (kJ/mol) for the compound named {}?"}
{"question": "Which material ID corresponds to a compound with stress tensor [[0.8043675, 0.0, 0.0], [0.0, 0.8043675, 0.0], [0.0, 0.0, 0.8043675]] and atoms structure {'lattice_mat': [[4.00329393, 0.0, 0.0], [2.00164697, 3.46695424, 0.0], [2.00164697, 1.15565141, 3.26867581]], 'coords': [[0.0, 0.0, 0.0]], 'elements': ['Ac'], 'abc': [4.00329, 4.003292, 4.003298], 'angles': [60.0, 60.0, 59.9999], 'cartesian': False, 'props': ['']}?", "refer_dataset": "table44", "column names": ["stress", "atoms", "mat_id"], "condition_column": ["stress", "atoms"], "answer_column": ["mat_id"], "condition": {"stress": "[[0.8043675, 0.0, 0.0], [0.0, 0.8043675, 0.0], [0.0, 0.0, 0.8043675]]", "atoms": "{'lattice_mat': [[4.00329393, 0.0, 0.0], [2.00164697, 3.46695424, 0.0], [2.00164697, 1.15565141, 3.26867581]], 'coords': [[0.0, 0.0, 0.0]], 'elements': ['Ac'], 'abc': [4.00329, 4.003292, 4.003298], 'angles': [60.0, 60.0, 59.9999], 'cartesian': False, 'props': ['']}"}, "tool": "search_value", "answer": {"mat_id": "agm003157159"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which material ID corresponds to a compound with stress tensor {} and atoms structure {}?"}
{"question": "Find the LUMO energy level (eV) for the compound with species H2OCH3OCH3.", "refer_dataset": "table46", "column names": ["species", "lumo"], "condition_column": ["species"], "answer_column": ["lumo"], "condition": {"species": "H2OCH3OCH3"}, "tool": "search_value", "answer": {"lumo": "0.0739"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the LUMO energy level (eV) for the compound with species {}."}
{"question": "What is the secondary metal component (M2) for catalysts with primary metal atom count (M1_atom_number) of 25, support identifier (Support_ID) 4, and CO2 selectivity (CO2s) of 7.41?", "refer_dataset": "table17", "column names": ["M1_atom_number", "Support_ID", "CO2s", "M2"], "condition_column": ["M1_atom_number", "Support_ID", "CO2s"], "answer_column": ["M2"], "condition": {"M1_atom_number": "25", "Support_ID": "4", "CO2s": "7.41"}, "tool": "search_value", "answer": {"M2": "Na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary metal component (M2) for catalysts with primary metal atom count (M1_atom_number) of {}, support identifier (Support_ID) {}, and CO2 selectivity (CO2s) of {}?"}
{"question": "Determine the energy above hull for a material with unit cell formula {'Mn': 3.0, 'Co': 1.0, 'Ni': 2.0, 'P': 6.0, 'O': 24.0} and 36 sites.", "refer_dataset": "table55", "column names": ["unit_cell_formula", "nsites", "e_above_hull"], "condition_column": ["unit_cell_formula", "nsites"], "answer_column": ["e_above_hull"], "condition": {"unit_cell_formula": "{'Mn': 3.0, 'Co': 1.0, 'Ni': 2.0, 'P': 6.0, 'O': 24.0}", "nsites": "36"}, "tool": "search_value", "answer": {"e_above_hull": "0.1994506199189789"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the energy above hull for a material with unit cell formula {} and {} sites."}
{"question": "What is the bulk modulus of the compound Hf2S that exhibits a shear modulus of 73.9131569870325 and band gap (gap pbe) of 0.0?", "refer_dataset": "table54", "column names": ["formula", "shear modulus", "gap pbe", "bulk modulus"], "condition_column": ["formula", "shear modulus", "gap pbe"], "answer_column": ["bulk modulus"], "condition": {"formula": "Hf2S", "shear modulus": "73.9131569870325", "gap pbe": "0.0"}, "tool": "search_value", "answer": {"bulk modulus": "131.4023301801204"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk modulus of the compound {} that exhibits a shear modulus of {} and band gap (gap pbe) of {}?"}
{"question": "Find the Ni composition for a sample where Mg is 0.0 and J.uAcm2_0.63_initialCA is 2640.076.", "refer_dataset": "table16", "column names": ["Mg", "J.uAcm2_0.63_initialCA", "Ni"], "condition_column": ["Mg", "J.uAcm2_0.63_initialCA"], "answer_column": ["Ni"], "condition": {"Mg": "0.0", "J.uAcm2_0.63_initialCA": "2640.076"}, "tool": "search_value", "answer": {"Ni": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Ni composition for a sample where Mg is {} and J.uAcm2_0.63_initialCA is {}."}
{"question": "For the material with net magnetic moment 60.0 and source CSD, provide its DOI.", "refer_dataset": "table62", "column names": ["net_magmom", "source", "doi"], "condition_column": ["net_magmom", "source"], "answer_column": ["doi"], "condition": {"net_magmom": "60.0", "source": "CSD"}, "tool": "search_value", "answer": {"doi": "https://doi.org/10.1039/b314221c"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with net magnetic moment {} and source {}, provide its DOI."}
{"question": "What is the support material used when the primary metal (M1) is Ru?", "refer_dataset": "table28", "column names": ["M1", "Support"], "condition_column": ["M1"], "answer_column": ["Support"], "condition": {"M1": "Ru"}, "tool": "search_value", "answer": {"Support": "Ba"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the support material used when the primary metal (M1) is {}?"}
{"question": "Identify the SCF conduction band minimum for the surface structure identifier Surface-JVASP-7671_miller_1_1_0_thickness_16_VASP_PBE_noDP.", "refer_dataset": "table66", "column names": ["name", "scf_cbm"], "condition_column": ["name"], "answer_column": ["scf_cbm"], "condition": {"name": "Surface-JVASP-7671_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"scf_cbm": "0.423"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the SCF conduction band minimum for the surface structure identifier {}."}
{"question": "What chemical product is generated by the catalyst labeled Au Nanowire?", "refer_dataset": "table12", "column names": ["Catalyst label", "Product"], "condition_column": ["Catalyst label"], "answer_column": ["Product"], "condition": {"Catalyst label": "Au Nanowire"}, "tool": "search_value", "answer": {"Product": "CO"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What chemical product is generated by the catalyst labeled {}?"}
{"question": "Report the bulk modulus for the material with formula BaTe:", "refer_dataset": "table56", "column names": ["formula", "bulk modulus"], "condition_column": ["formula"], "answer_column": ["bulk modulus"], "condition": {"formula": "BaTe"}, "tool": "search_value", "answer": {"bulk modulus": "-1.5056371435744094"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the bulk modulus for the material with formula {}:"}
{"question": "Report the source identifier for the material where the bandgap is 0.8580999999999999.", "refer_dataset": "table67", "column names": ["bandgap", "source_id"], "condition_column": ["bandgap"], "answer_column": ["source_id"], "condition": {"bandgap": "0.8580999999999999"}, "tool": "search_value", "answer": {"source_id": "mp-571279"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the source identifier for the material where the bandgap is {}."}
{"question": "Which organic compound required a light intensity of 0.176 mW/cm² and pH 3.6 to achieve -log(k) 0.7992?", "refer_dataset": "table9", "column names": ["I, mW/cm2", "pH", "-log(k), min-1", "OC"], "condition_column": ["I, mW/cm2", "pH", "-log(k), min-1"], "answer_column": ["OC"], "condition": {"I, mW/cm2": "0.176", "pH": "3.6", "-log(k), min-1": "0.7992"}, "tool": "search_value", "answer": {"OC": "Methanol"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which organic compound required a light intensity of {} mW/cm² and pH {} to achieve -log(k) {}?"}
{"question": "What is the minimum CO₂ adsorption capacity of the MOF with ID hMOF-3476?", "refer_dataset": "table50", "column names": ["id", "min_co2_adsp"], "condition_column": ["id"], "answer_column": ["min_co2_adsp"], "condition": {"id": "hMOF-3476"}, "tool": "search_value", "answer": {"min_co2_adsp": "0.012105"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the minimum CO₂ adsorption capacity of the MOF with ID {}?"}
{"question": "What catalyst/pollutant ratio achieves 48.0% degradation for MB at 400°C calcination?", "refer_dataset": "table8", "column names": ["Degradation rate(%)", "Pollutant", "Calcination temperature(°C)", "Catalyst/Pollutant mass ratio"], "condition_column": ["Degradation rate(%)", "Pollutant", "Calcination temperature(°C)"], "answer_column": ["Catalyst/Pollutant mass ratio"], "condition": {"Degradation rate(%)": "48.0", "Pollutant": "MB", "Calcination temperature(°C)": "400"}, "tool": "search_value", "answer": {"Catalyst/Pollutant mass ratio": "100.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What catalyst/pollutant ratio achieves {}% degradation for {} at {}°C calcination?"}
{"question": "What is the energy indicating phase separation tendency for the material with ID agm005671431?", "refer_dataset": "table44", "column names": ["mat_id", "e_phase_separation"], "condition_column": ["mat_id"], "answer_column": ["e_phase_separation"], "condition": {"mat_id": "agm005671431"}, "tool": "search_value", "answer": {"e_phase_separation": "0.01840078"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy indicating phase separation tendency for the material with ID {}?"}
{"question": "Find the heat capacity at constant volume (Cv) for the sample with identifier 8.", "refer_dataset": "table61", "column names": ["id", "Cv"], "condition_column": ["id"], "answer_column": ["Cv"], "condition": {"id": "8"}, "tool": "search_value", "answer": {"Cv": "-5.6224984835442"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the heat capacity at constant volume (Cv) for the sample with identifier {}."}
{"question": "What is the R-factor observed (Robs) for the COD file 1000031?", "refer_dataset": "table38", "column names": ["file", "Robs"], "condition_column": ["file"], "answer_column": ["Robs"], "condition": {"file": "1000031"}, "tool": "search_value", "answer": {"Robs": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the R-factor observed (Robs) for the COD file {}?"}
{"question": "Find the Titanium content (%) for 4.0% Cobalt, solution temperature of 81.0°C, and aging time of 1260.0h.", "refer_dataset": "table39", "column names": ["Ti", "Co", "固溶温度T (℃)", "时效时间t (h)"], "condition_column": ["Ti", "Co", "固溶温度T (℃)"], "answer_column": ["时效时间t (h)"], "condition": {"Ti": "4.0", "Co": "81.0", "固溶温度T (℃)": "1260.0"}, "tool": "search_value", "answer": {"时效时间t (h)": "50.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Titanium content (%) for {}% Cobalt, solution temperature of {}°C, and aging time of {}h."}
{"question": "What is the enthalpy of formation at 0K (kJ/mol) for the compound with species CH3SeH and HOMO energy level -0.22071 eV?", "refer_dataset": "table46", "column names": ["species", "homo", "enthalpy_formation_0K"], "condition_column": ["species", "homo"], "answer_column": ["enthalpy_formation_0K"], "condition": {"species": "CH3SeH", "homo": "-0.22071"}, "tool": "search_value", "answer": {"enthalpy_formation_0K": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the enthalpy of formation at 0K (kJ/mol) for the compound with species {} and HOMO energy level {} eV?"}
{"question": "What is the Ruthenium (Ru) percentage in the alloy with Platinum (Pt) at 2.2%, Rhodium (Rh) at 0.0%, and Onset potential of 0.473971 V?", "refer_dataset": "table15", "column names": ["Pt", "Rh", "Onset", "Ru"], "condition_column": ["Pt", "Rh", "Onset"], "answer_column": ["Ru"], "condition": {"Pt": "2.2", "Rh": "0.0", "Onset": "0.473971"}, "tool": "search_value", "answer": {"Ru": "88.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Ruthenium (Ru) percentage in the alloy with Platinum (Pt) at {}%, Rhodium (Rh) at {}%, and Onset potential of {} V?"}
{"question": "What degradation efficiency (%) was achieved for material MIL-101 at pH 2.2 with an illumination time of 20 minutes?", "refer_dataset": "table6", "column names": ["Material", "pH", "Illumination time (min)", "Degradation efficiency (%)"], "condition_column": ["Material", "pH", "Illumination time (min)"], "answer_column": ["Degradation efficiency (%)"], "condition": {"Material": "MIL-101", "pH": "2.2", "Illumination time (min)": "20"}, "tool": "search_value", "answer": {"Degradation efficiency (%)": "25.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What degradation efficiency (%) was achieved for material {} at pH {} with an illumination time of {} minutes?"}
{"question": "For catalysts using SiO2-P as the support material, what is the surface area by BET method?", "refer_dataset": "table29", "column names": ["Support", "SBET(m2/g)"], "condition_column": ["Support"], "answer_column": ["SBET(m2/g)"], "condition": {"Support": "SiO2-P"}, "tool": "search_value", "answer": {"SBET(m2/g)": "284"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For catalysts using {} as the support material, what is the surface area by BET method?"}
{"question": "What is the band gap of the material composed of elements ['Ga', 'Nd', 'Ni', 'Se']?", "refer_dataset": "table55", "column names": ["elements", "band_gap"], "condition_column": ["elements"], "answer_column": ["band_gap"], "condition": {"elements": "['Ga', 'Nd', 'Ni', 'Se']"}, "tool": "search_value", "answer": {"band_gap": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band gap of the material composed of elements {}?"}
{"question": "For surface structure Surface-JVASP-64917_miller_1_1_0_thickness_16_VASP_PBE_noDP, what is the SCF valence band maximum (scf_vbm) if composed of Be2FeW and exhibiting a surface valence band maximum of 1.728?", "refer_dataset": "table66", "column names": ["name", "formula", "surf_vbm", "scf_vbm"], "condition_column": ["name", "formula", "surf_vbm"], "answer_column": ["scf_vbm"], "condition": {"name": "Surface-JVASP-64917_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "Be2FeW", "surf_vbm": "1.728"}, "tool": "search_value", "answer": {"scf_vbm": "7.36"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For surface structure {}, what is the SCF valence band maximum (scf_vbm) if composed of {} and exhibiting a surface valence band maximum of {}?"}
{"question": "What is the molecular weight of the OSDA molecule with SMILES notation C(CC[N+]12CCC(CC1)CC2)CC[N+]12CCC(CC1)CC2?", "refer_dataset": "table41", "column names": ["osda smiles", "mol_weight"], "condition_column": ["osda smiles"], "answer_column": ["mol_weight"], "condition": {"osda smiles": "C(CC[N+]12CCC(CC1)CC2)CC[N+]12CCC(CC1)CC2"}, "tool": "search_value", "answer": {"mol_weight": "292.511"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the molecular weight of the OSDA molecule with SMILES notation {}?"}
{"question": "Which authors published the study linked to COD entry 1000033?", "refer_dataset": "table38", "column names": ["file", "authors"], "condition_column": ["file"], "answer_column": ["authors"], "condition": {"file": "1000033"}, "tool": "search_value", "answer": {"authors": "de Villiers, J. P. R."}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which authors published the study linked to COD entry {}?"}
{"question": "What is the maximum elastic tensor component for materials with functional OptB88vdW and space group number 157?", "refer_dataset": "table48", "column names": ["func", "spg_number", "elastic_tensor"], "condition_column": ["func", "spg_number"], "answer_column": ["elastic_tensor"], "condition": {"func": "OptB88vdW", "spg_number": "157"}, "tool": "search_value", "answer": {"elastic_tensor": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the maximum elastic tensor component for materials with functional {} and space group number {}?"}
{"question": "Calculate the Methane adsorption energy (CH4Ead) for the Base Be combined with Dope C.", "refer_dataset": "table24", "column names": ["Base", "Dope", "CH4Ead"], "condition_column": ["Base", "Dope"], "answer_column": ["CH4Ead"], "condition": {"Base": "Be", "Dope": "C"}, "tool": "search_value", "answer": {"CH4Ead": "0.7072486129"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the Methane adsorption energy (CH4Ead) for the Base {} combined with Dope {}."}
{"question": "Report the number of sites for a material with Hubbard U values {'Li': 0.0, 'Ni': 6.2, 'Ge': 0.0, 'O': 0.0} and oxide type oxide.", "refer_dataset": "table55", "column names": ["hubbards", "oxide_type", "nsites"], "condition_column": ["hubbards", "oxide_type"], "answer_column": ["nsites"], "condition": {"hubbards": "{'Li': 0.0, 'Ni': 6.2, 'Ge': 0.0, 'O': 0.0}", "oxide_type": "oxide"}, "tool": "search_value", "answer": {"nsites": "80"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the number of sites for a material with Hubbard U values {} and oxide type {}."}
{"question": "If a perovskite’s similarity score is 0.288529, what is the value of feature 24 if feature 7 is -0.00766?", "refer_dataset": "table14", "column names": ["similarity", "7", "24"], "condition_column": ["similarity", "7"], "answer_column": ["24"], "condition": {"similarity": "0.288529", "7": "-0.00766"}, "tool": "search_value", "answer": {"24": "-0.03787"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If a perovskite’s similarity score is {}, what is the value of feature 24 if feature 7 is {}?"}
{"question": "Identify the Log_fom value for a material with a PBE mixing energy of 0.0 eV and an HSE decomposition energy of -0.13 eV.", "refer_dataset": "table49", "column names": ["PBE_mix_energy", "HSE_decomp_energy", "Log_fom"], "condition_column": ["PBE_mix_energy", "HSE_decomp_energy"], "answer_column": ["Log_fom"], "condition": {"PBE_mix_energy": "0.0", "HSE_decomp_energy": "-0.13"}, "tool": "search_value", "answer": {"Log_fom": "4.93"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the Log_fom value for a material with a PBE mixing energy of {} eV and an HSE decomposition energy of {} eV."}
{"question": "What is the density (g/cm³) of the compound with the formula Ag1Cu4Sm1?", "refer_dataset": "table31", "column names": ["0", "6"], "condition_column": ["0"], "answer_column": ["6"], "condition": {"0": "Ag1Cu4Sm1"}, "tool": "search_value", "answer": {"6": "0.00000g/cm3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the density (g/cm³) of the compound with the formula {}?"}
{"question": "What is the total energy after optimization (final_energy) for a system where the OptB88-vdW bandgap is -191.51312359?", "refer_dataset": "table52", "column names": ["final_energy", "optb88vdw_bandgap"], "condition_column": ["final_energy"], "answer_column": ["optb88vdw_bandgap"], "condition": {"final_energy": "-191.51312359"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "0.8818999999999999"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total energy after optimization (final_energy) for a system where the OptB88-vdW bandgap is {}?"}
{"question": "What is the maximum CO₂ adsorption capacity for the MOF with ID hMOF-5024984?", "refer_dataset": "table50", "column names": ["id", "max_co2_adsp"], "condition_column": ["id"], "answer_column": ["max_co2_adsp"], "condition": {"id": "hMOF-5024984"}, "tool": "search_value", "answer": {"max_co2_adsp": "11.2144"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the maximum CO₂ adsorption capacity for the MOF with ID {}?"}
{"question": "What version history details exist for the paper titled The Spitzer c2d Survey of Large, Nearby, Insterstellar Clouds. IX. The\n  Serpens YSO Population As Observed With IRAC and MIPS, updated on 2010-03-18?", "refer_dataset": "table45", "column names": ["title", "update_date", "versions"], "condition_column": ["title", "update_date"], "answer_column": ["versions"], "condition": {"title": "The Spitzer c2d Survey of Large, Nearby, Insterstellar Clouds. IX. The\n  Serpens YSO Population As Observed With IRAC and MIPS", "update_date": "2010-03-18"}, "tool": "search_value", "answer": {"versions": "[{'version': 'v1', 'created': 'Mon, 2 Apr 2007 19:41:34 GMT'}]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What version history details exist for the paper titled {}, updated on {}?"}
{"question": "What is the crystal structure lattice matrix data (atoms) of the compound with numerical identifier 11 and species NHCHNH2?", "refer_dataset": "table46", "column names": ["name", "species", "atoms"], "condition_column": ["name", "species"], "answer_column": ["atoms"], "condition": {"name": "11", "species": "NHCHNH2"}, "tool": "search_value", "answer": {"atoms": "{'lattice_mat': [[15, 0, 0], [0, 15, 0], [0, 0, 15]], 'coords': [[-0.124068, 0.394507, -0.002632], [1.141172, -0.146674, -0.075585], [-1.172934, -0.334029, 0.018085], [-0.109728, 1.493324, -0.014102], [1.899354, 0.392802, 0.318898], [1.1845, -1.141172, 0.116203], [-2.007389, 0.252921, -0.002705]], 'elements': ['C', 'N', 'N', 'H', 'H', 'H', 'H'], 'abc': [15.0, 15.0, 15.0], 'angles': [90.0, 90.0, 90.0], 'cartesian': True, 'props': ['', '', '', '', '', '', '']}"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the crystal structure lattice matrix data (atoms) of the compound with numerical identifier {} and species {}?"}
{"question": "How many atoms are in the unit cell of the material with job ID JVASP-86097?", "refer_dataset": "table47", "column names": ["jid", "nat"], "condition_column": ["jid"], "answer_column": ["nat"], "condition": {"jid": "JVASP-86097"}, "tool": "search_value", "answer": {"nat": "7"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many atoms are in the unit cell of the material with job ID {}?"}
{"question": "Find the entry ID(s) of materials with an energy difference from stability of 0.405690829361882.", "refer_dataset": "table57", "column names": ["_oqmd_delta_e", "_oqmd_entry_id"], "condition_column": ["_oqmd_delta_e"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_delta_e": "0.405690829361882"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "472985.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the entry ID(s) of materials with an energy difference from stability of {}."}
{"question": "What is the C₂ yield (%) for a CH4/O2 ratio of 4.0 with Support CaO and PAr 0.15 atm?", "refer_dataset": "table23", "column names": ["CH4/O2 (mol/mol)", "Support", "PAr (atm)", "C2 yield (%)"], "condition_column": ["CH4/O2 (mol/mol)", "Support", "PAr (atm)"], "answer_column": ["C2 yield (%)"], "condition": {"CH4/O2 (mol/mol)": "4.0", "Support": "CaO", "PAr (atm)": "0.15"}, "tool": "search_value", "answer": {"C2 yield (%)": "8.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the C₂ yield (%) for a CH4/O2 ratio of {} with Support {} and PAr {} atm?"}
{"question": "Retrieve the chemical composition formula for the material with ID 1721 and a recorded Tc of 5.27.", "refer_dataset": "table65", "column names": ["id", "Tc", "formula"], "condition_column": ["id", "Tc"], "answer_column": ["formula"], "condition": {"id": "1721", "Tc": "5.27"}, "tool": "search_value", "answer": {"formula": "Nb1Re3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the chemical composition formula for the material with ID {} and a recorded Tc of {}."}
{"question": "What is the formation energy for the compound formula Ba2La6Fe8O24?", "refer_dataset": "table37", "column names": ["Material Composition", "Formation_energy"], "condition_column": ["Material Composition"], "answer_column": ["Formation_energy"], "condition": {"Material Composition": "Ba2La6Fe8O24"}, "tool": "search_value", "answer": {"Formation_energy": "-2.00351270133"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy for the compound formula {}?"}
{"question": "What is the B-site d-orbital electron range for a material composed of Ba2La6Co8O24 with a formation energy of -1.66353766833?", "refer_dataset": "table37", "column names": ["Material Composition", "Formation_energy", "Bsite_NdValence_range"], "condition_column": ["Material Composition", "Formation_energy"], "answer_column": ["Bsite_NdValence_range"], "condition": {"Material Composition": "Ba2La6Co8O24", "Formation_energy": "-1.66353766833"}, "tool": "search_value", "answer": {"Bsite_NdValence_range": "0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the B-site d-orbital electron range for a material composed of {} with a formation energy of {}?"}
{"question": "Given a valence band maximum (VBM) of 6.1195 and a band alignment offset of 0.5978046988467991, determine the total optimized energy.", "refer_dataset": "table52", "column names": ["optb88vdw_vbm", "offset", "final_energy"], "condition_column": ["optb88vdw_vbm", "offset"], "answer_column": ["final_energy"], "condition": {"optb88vdw_vbm": "6.1195", "offset": "0.5978046988467991"}, "tool": "search_value", "answer": {"final_energy": "-207.57252903"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a valence band maximum (VBM) of {} and a band alignment offset of {}, determine the total optimized energy."}
{"question": "Determine the electronic spillage value for the material with formula TiBr3 and shear modulus na?", "refer_dataset": "table48", "column names": ["formula", "shear_modulus_gv", "spillage"], "condition_column": ["formula", "shear_modulus_gv"], "answer_column": ["spillage"], "condition": {"formula": "TiBr3", "shear_modulus_gv": "na"}, "tool": "search_value", "answer": {"spillage": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the electronic spillage value for the material with formula {} and shear modulus {}?"}
{"question": "What is the dipole moment (mu) for the material with identifier 0.0?", "refer_dataset": "table60", "column names": ["id", "mu"], "condition_column": ["id"], "answer_column": ["mu"], "condition": {"id": "0.0"}, "tool": "search_value", "answer": {"mu": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the dipole moment (mu) for the material with identifier {}?"}
{"question": "At a Reaction duration (Time) of 0.32 hours, what is the corresponding Hydrofluoric acid quantity (HF)?", "refer_dataset": "table40", "column names": ["HF", "Time"], "condition_column": ["HF"], "answer_column": ["Time"], "condition": {"HF": "0.32"}, "tool": "search_value", "answer": {"Time": "72.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At a Reaction duration (Time) of {} hours, what is the corresponding Hydrofluoric acid quantity (HF)?"}
{"question": "Which molecular formula has a photocatalyst dose of La0.9625Sr0.0375Fe0.8875Ti0.1125O3 g L-1?", "refer_dataset": "table1", "column names": ["Molecular formula", "Photocatalyst dose(g L-1)"], "condition_column": ["Molecular formula"], "answer_column": ["Photocatalyst dose(g L-1)"], "condition": {"Molecular formula": "La0.9625Sr0.0375Fe0.8875Ti0.1125O3"}, "tool": "search_value", "answer": {"Photocatalyst dose(g L-1)": "1.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which molecular formula has a photocatalyst dose of {} g L-1?"}
{"question": "What is the total magnetization of the material classified as oxide oxide with ICSD ID [1946, 30564, 23931, 633, 36153, 8042]?", "refer_dataset": "table55", "column names": ["oxide_type", "icsd_ids", "total_magnetization"], "condition_column": ["oxide_type", "icsd_ids"], "answer_column": ["total_magnetization"], "condition": {"oxide_type": "oxide", "icsd_ids": "[1946, 30564, 23931, 633, 36153, 8042]"}, "tool": "search_value", "answer": {"total_magnetization": "0.6621269"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total magnetization of the material classified as {} oxide with ICSD ID {}?"}
{"question": "What is the formation energy value associated with the unique job identifier JVASP-867?", "refer_dataset": "table68", "column names": ["jid", "ef"], "condition_column": ["jid"], "answer_column": ["ef"], "condition": {"jid": "JVASP-867"}, "tool": "search_value", "answer": {"ef": "0.92701"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy value associated with the unique job identifier {}?"}
{"question": "Identify the atomic energy (atom_en) for the material sourced from -5.91291 with a total dielectric constant of Mannodi-Kanakkithodi_etal:SciRep.inpress(2016).", "refer_dataset": "table58", "column names": ["atom_en", "src", "diel_tot"], "condition_column": ["atom_en", "src"], "answer_column": ["diel_tot"], "condition": {"atom_en": "-5.91291", "src": "Mannodi-Kanakkithodi_etal:SciRep.inpress(2016)"}, "tool": "search_value", "answer": {"diel_tot": "4.21051"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the atomic energy (atom_en) for the material sourced from {} with a total dielectric constant of {}."}
{"question": "Which preparation method (PM) is associated with the perovskite oxide LaMg0.8Cr0.2O3?", "refer_dataset": "table11", "column names": ["Molecular formulas", "PM"], "condition_column": ["Molecular formulas"], "answer_column": ["PM"], "condition": {"Molecular formulas": "LaMg0.8Cr0.2O3"}, "tool": "search_value", "answer": {"PM": "3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which preparation method (PM) is associated with the perovskite oxide {}?"}
{"question": "What stirring speed optimizes synthesis with Ca ion 81 mM, HCO3 ion 0 mM, and solvent 0.0%?", "refer_dataset": "table42", "column names": ["Ca ion, mM", "HCO3 ion, mM", "Solvent, % vol.", "Stirring, rpm"], "condition_column": ["Ca ion, mM", "HCO3 ion, mM", "Solvent, % vol."], "answer_column": ["Stirring, rpm"], "condition": {"Ca ion, mM": "81", "HCO3 ion, mM": "0", "Solvent, % vol.": "0.0"}, "tool": "search_value", "answer": {"Stirring, rpm": "0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What stirring speed optimizes synthesis with Ca ion {} mM, HCO3 ion {} mM, and solvent {}%?"}
{"question": "What is the chemical formula of the compound with job ID JQE-2?", "refer_dataset": "table59", "column names": ["jid", "formula"], "condition_column": ["jid"], "answer_column": ["formula"], "condition": {"jid": "JQE-2"}, "tool": "search_value", "answer": {"formula": "Li"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula of the compound with job ID {}?"}
{"question": "Identify the detailed chemical formula for the material identified by mp-1181385.", "refer_dataset": "table55", "column names": ["material_id", "full_formula"], "condition_column": ["material_id"], "answer_column": ["full_formula"], "condition": {"material_id": "mp-1181385"}, "tool": "search_value", "answer": {"full_formula": "K8I16O48"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the detailed chemical formula for the material identified by {}."}
{"question": "What is the aging time (AH) for the molecular formula ZnTiO3 prepared via method 1?", "refer_dataset": "table11", "column names": ["Molecular formulas", "PM", "AH (h)"], "condition_column": ["Molecular formulas", "PM"], "answer_column": ["AH (h)"], "condition": {"Molecular formulas": "ZnTiO3", "PM": "1"}, "tool": "search_value", "answer": {"AH (h)": "2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the aging time (AH) for the molecular formula {} prepared via method {}?"}
{"question": "Determine the journal impact factor for an article published by the institution CAS Ctr Excellence Nanosci in Peoples R China country.", "refer_dataset": "table13", "column names": ["Facility", "Country", "IF"], "condition_column": ["Facility", "Country"], "answer_column": ["IF"], "condition": {"Facility": "CAS Ctr Excellence Nanosci", "Country": "Peoples R China"}, "tool": "search_value", "answer": {"IF": "8.307"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the journal impact factor for an article published by the institution {} in {} country."}
{"question": "What is the chemical potential value recorded for the entry ID JVASP-943_Ni_a?", "refer_dataset": "table68", "column names": ["id", "chem_pot"], "condition_column": ["id"], "answer_column": ["chem_pot"], "condition": {"id": "JVASP-943_Ni_a"}, "tool": "search_value", "answer": {"chem_pot": "-1.3801824"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical potential value recorded for the entry ID {}?"}
{"question": "What is the internal energy (U) of the molecule represented by the SMILES notation CC#C?", "refer_dataset": "table61", "column names": ["SMILES", "U"], "condition_column": ["SMILES"], "answer_column": ["U"], "condition": {"SMILES": "CC#C"}, "tool": "search_value", "answer": {"U": "4.54692058907546"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the internal energy (U) of the molecule represented by the SMILES notation {}?"}
{"question": "If a material has a delta_e of 0.405690829361882 and stability of 0.405690829361882, what is its band gap?", "refer_dataset": "table57", "column names": ["_oqmd_delta_e", "_oqmd_stability", "_oqmd_band_gap"], "condition_column": ["_oqmd_delta_e", "_oqmd_stability"], "answer_column": ["_oqmd_band_gap"], "condition": {"_oqmd_delta_e": "0.405690829361882", "_oqmd_stability": "0.405690829361882"}, "tool": "search_value", "answer": {"_oqmd_band_gap": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If a material has a delta_e of {} and stability of {}, what is its band gap?"}
{"question": "Report the PBE bandgap for a material with mu_b 2.4479362 and ID mp-1000440:", "refer_dataset": "table56", "column names": ["mu_b", "id", "gap pbe"], "condition_column": ["mu_b", "id"], "answer_column": ["gap pbe"], "condition": {"mu_b": "2.4479362", "id": "mp-1000440"}, "tool": "search_value", "answer": {"gap pbe": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the PBE bandgap for a material with mu_b {} and ID {}:"}
{"question": "Determine the surface area (m²/cm³) of an MOF with minimum CO₂ adsorption 0.0145724, largest cavity diameter 13.75 Å, and CO₂ pressure [0.01, 0.05, 0.1, 0.5, 2.5] bar.", "refer_dataset": "table50", "column names": ["min_co2_adsp", "lcd", "co2_pressures", "surface_area_m2cm3"], "condition_column": ["min_co2_adsp", "lcd", "co2_pressures"], "answer_column": ["surface_area_m2cm3"], "condition": {"min_co2_adsp": "0.0145724", "lcd": "13.75", "co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "tool": "search_value", "answer": {"surface_area_m2cm3": "1872.3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the surface area (m²/cm³) of an MOF with minimum CO₂ adsorption {}, largest cavity diameter {} Å, and CO₂ pressure {} bar."}
{"question": "What is the electronic permittivity (Eps_elec) recorded for the perovskite material Perov-10?", "refer_dataset": "table49", "column names": ["id", "Eps_elec"], "condition_column": ["id"], "answer_column": ["Eps_elec"], "condition": {"id": "Perov-10"}, "tool": "search_value", "answer": {"Eps_elec": "5.36"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic permittivity (Eps_elec) recorded for the perovskite material {}?"}
{"question": "Identify the material ID corresponding to a source identifier of mp-1009641 and total magnetization of 1.21e-05.", "refer_dataset": "table67", "column names": ["source_id", "total_magnetization", "material_id"], "condition_column": ["source_id", "total_magnetization"], "answer_column": ["material_id"], "condition": {"source_id": "mp-1009641", "total_magnetization": "1.21e-05"}, "tool": "search_value", "answer": {"material_id": "2dm-16"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the material ID corresponding to a source identifier of {} and total magnetization of {}."}
{"question": "Determine the mean Bertz complexity index for the molecule with SMILES C(CC[N+]12CCC(CC1)CC2)CC[N+]12CCC(CC1)CC2.", "refer_dataset": "table41", "column names": ["osda smiles", "bertz_ct_mean_0"], "condition_column": ["osda smiles"], "answer_column": ["bertz_ct_mean_0"], "condition": {"osda smiles": "C(CC[N+]12CCC(CC1)CC2)CC[N+]12CCC(CC1)CC2"}, "tool": "search_value", "answer": {"bertz_ct_mean_0": "1477.7649486527866"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the mean Bertz complexity index for the molecule with SMILES {}."}
{"question": "What is the electronic spatial extent (r2) for the material with identifier 5.0, HOMO energy -7.265439987182617, and LUMO energy -1.104782223701477?", "refer_dataset": "table60", "column names": ["id", "homo", "lumo", "r2"], "condition_column": ["id", "homo", "lumo"], "answer_column": ["r2"], "condition": {"id": "5.0", "homo": "-7.265439987182617", "lumo": "-1.104782223701477"}, "tool": "search_value", "answer": {"r2": "59.98910140991211"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic spatial extent (r2) for the material with identifier {}, HOMO energy {}, and LUMO energy {}?"}
{"question": "What material ID is linked to a formula_energy of 218?", "refer_dataset": "table64", "column names": ["id", "formula_energy"], "condition_column": ["id"], "answer_column": ["formula_energy"], "condition": {"id": "218"}, "tool": "search_value", "answer": {"formula_energy": "-0.0656403766667"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What material ID is linked to a formula_energy of {}?"}
{"question": "Report the total magnetization for the compound with ICSD ID [426888].", "refer_dataset": "table55", "column names": ["icsd_ids", "total_magnetization"], "condition_column": ["icsd_ids"], "answer_column": ["total_magnetization"], "condition": {"icsd_ids": "[426888]"}, "tool": "search_value", "answer": {"total_magnetization": "0.00029425"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the total magnetization for the compound with ICSD ID {}."}
{"question": "What is the chemical formula of the compound with job ID JQE-10?", "refer_dataset": "table59", "column names": ["jid", "formula"], "condition_column": ["jid"], "answer_column": ["formula"], "condition": {"jid": "JQE-10"}, "tool": "search_value", "answer": {"formula": "Li"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula of the compound with job ID {}?"}
{"question": "Identify the ID assigned to the compound with formula Fe3W2 and energy value -0.1084102642.", "refer_dataset": "table64", "column names": ["formula", "formula_energy", "id"], "condition_column": ["formula", "formula_energy"], "answer_column": ["id"], "condition": {"formula": "Fe3W2", "formula_energy": "-0.1084102642"}, "tool": "search_value", "answer": {"id": "1057"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the ID assigned to the compound with formula {} and energy value {}."}
{"question": "Determine the cycle3 measurement for the perovskite material AgTaO3", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "cycle3"], "condition_column": ["Full Name of Perovskite"], "answer_column": ["cycle3"], "condition": {"Full Name of Perovskite": "AgTaO3"}, "tool": "search_value", "answer": {"cycle3": "46.8"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the cycle3 measurement for the perovskite material {}"}
{"question": "Which composition has a coercivity value of 140.0 kA/m?", "refer_dataset": "table32", "column names": ["kA/m", "composition"], "condition_column": ["kA/m"], "answer_column": ["composition"], "condition": {"kA/m": "140.0"}, "tool": "search_value", "answer": {"composition": "Ni_40Fe_30Co_30"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which composition has a coercivity value of {} kA/m?"}
{"question": "What is the gamma prime phase size (nm) when the aging temperature is 0.89°C?", "refer_dataset": "table39", "column names": ["γ＇相尺寸 (nm)", "时效温度T (℃)"], "condition_column": ["γ＇相尺寸 (nm)"], "answer_column": ["时效温度T (℃)"], "condition": {"γ＇相尺寸 (nm)": "0.89"}, "tool": "search_value", "answer": {"时效温度T (℃)": "600.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the gamma prime phase size (nm) when the aging temperature is {}°C?"}
{"question": "What is the electronic spatial extent (r2) for a material with identifier 5.0 and dipole moment 2.1089000701904297?", "refer_dataset": "table60", "column names": ["id", "mu", "r2"], "condition_column": ["id", "mu"], "answer_column": ["r2"], "condition": {"id": "5.0", "mu": "2.1089000701904297"}, "tool": "search_value", "answer": {"r2": "59.98910140991211"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic spatial extent (r2) for a material with identifier {} and dipole moment {}?"}
{"question": "Determine the aging time (h) for an alloy aged at 2000.0°C.", "refer_dataset": "table39", "column names": ["时效时间t (h)", "时效温度T (℃)"], "condition_column": ["时效时间t (h)"], "answer_column": ["时效温度T (℃)"], "condition": {"时效时间t (h)": "2000.0"}, "tool": "search_value", "answer": {"时效温度T (℃)": "900.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the aging time (h) for an alloy aged at {}°C."}
{"question": "Find the dielectric properties of the material designated mp-11279 (Material ID) and space group {'symprec': 0.1, 'source': 'spglib', 'symbol': 'Pm-3m', 'number': 221, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': '-P 4 2 3'}.", "refer_dataset": "table55", "column names": ["material_id", "spacegroup", "diel"], "condition_column": ["material_id", "spacegroup"], "answer_column": ["diel"], "condition": {"material_id": "mp-11279", "spacegroup": "{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Pm-3m', 'number': 221, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': '-P 4 2 3'}"}, "tool": "search_value", "answer": {"diel": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the dielectric properties of the material designated {} (Material ID) and space group {}."}
{"question": "At what pH level does the catalyst Electrodeposited Sn operate?", "refer_dataset": "table12", "column names": ["Catalyst label", "pH"], "condition_column": ["Catalyst label"], "answer_column": ["pH"], "condition": {"Catalyst label": "Electrodeposited Sn"}, "tool": "search_value", "answer": {"pH": "6.8"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what pH level does the catalyst {} operate?"}
{"question": "Identify the Reaction energy (ReactionE) for a Composition of BeH and Base Be.", "refer_dataset": "table24", "column names": ["Composition", "Base", "ReactionE"], "condition_column": ["Composition", "Base"], "answer_column": ["ReactionE"], "condition": {"Composition": "BeH", "Base": "Be"}, "tool": "search_value", "answer": {"ReactionE": "-0.5036472184"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the Reaction energy (ReactionE) for a Composition of {} and Base {}."}
{"question": "What is the energy difference from thermodynamic stability for the material with entry ID 472980.0?", "refer_dataset": "table57", "column names": ["_oqmd_entry_id", "_oqmd_delta_e"], "condition_column": ["_oqmd_entry_id"], "answer_column": ["_oqmd_delta_e"], "condition": {"_oqmd_entry_id": "472980.0"}, "tool": "search_value", "answer": {"_oqmd_delta_e": "0.41234490060345"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy difference from thermodynamic stability for the material with entry ID {}?"}
{"question": "Retrieve the internal energy (U) of a material where the zero-point vibrational energy is 0.7303808331489563 and enthalpy is -16.86934471130371.", "refer_dataset": "table60", "column names": ["zpve", "H", "U"], "condition_column": ["zpve", "H"], "answer_column": ["U"], "condition": {"zpve": "0.7303808331489563", "H": "-16.86934471130371"}, "tool": "search_value", "answer": {"U": "-16.79222869873047"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the internal energy (U) of a material where the zero-point vibrational energy is {} and enthalpy is {}."}
{"question": "Find the e_hull for ID mp-1 with a formation energy (e_form) of 0.0016083399999999:", "refer_dataset": "table56", "column names": ["id", "e_form", "e_hull"], "condition_column": ["id", "e_form"], "answer_column": ["e_hull"], "condition": {"id": "mp-1", "e_form": "0.0016083399999999"}, "tool": "search_value", "answer": {"e_hull": "0.0016083399999999"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the e_hull for ID {} with a formation energy (e_form) of {}:"}
{"question": "What CH3Ead is recorded for Dope Ne in the presence of Base Be?", "refer_dataset": "table24", "column names": ["Dope", "Base", "CH3Ead"], "condition_column": ["Dope", "Base"], "answer_column": ["CH3Ead"], "condition": {"Dope": "Ne", "Base": "Be"}, "tool": "search_value", "answer": {"CH3Ead": "2.0082546507"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What CH3Ead is recorded for Dope {} in the presence of Base {}?"}
{"question": "At what calcination temperature (CT) was the perovskite oxide LaMg0.8Cr0.2O3 synthesized?", "refer_dataset": "table11", "column names": ["Molecular formulas", "CT (℃)"], "condition_column": ["Molecular formulas"], "answer_column": ["CT (℃)"], "condition": {"Molecular formulas": "LaMg0.8Cr0.2O3"}, "tool": "search_value", "answer": {"CT (℃)": "600"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what calcination temperature (CT) was the perovskite oxide {} synthesized?"}
{"question": "What is the secondary A2 site cation in the perovskite compound KTiTaO5, which has a cycle5 performance of -?", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "cycle5", "A2 site"], "condition_column": ["Full Name of Perovskite", "cycle5"], "answer_column": ["A2 site"], "condition": {"Full Name of Perovskite": "KTiTaO5", "cycle5": "-"}, "tool": "search_value", "answer": {"A2 site": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary A2 site cation in the perovskite compound {}, which has a cycle5 performance of {}?"}
{"question": "What is the coulombic efficiency percentage achieved by a N-doped carbon material catalyst with nanostructuring set to 0.0 and a pH of 7.0?", "refer_dataset": "table12", "column names": ["Material", "Nanostructuring", "pH", "C.E. %"], "condition_column": ["Material", "Nanostructuring", "pH"], "answer_column": ["C.E. %"], "condition": {"Material": "N-doped carbon", "Nanostructuring": "0.0", "pH": "7.0"}, "tool": "search_value", "answer": {"C.E. %": "98.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the coulombic efficiency percentage achieved by a {} material catalyst with nanostructuring set to {} and a pH of {}?"}
{"question": "What is the formation energy (e_form) of the compound with ID mp-10?", "refer_dataset": "table54", "column names": ["id", "e_form"], "condition_column": ["id"], "answer_column": ["e_form"], "condition": {"id": "mp-10"}, "tool": "search_value", "answer": {"e_form": "0.1074050600000005"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy (e_form) of the compound with ID {}?"}
{"question": "What synthesis duration is required for polymer type PEI, surfactant type Hexadecyltrimethylammonium bromide, and temperature 50 C?", "refer_dataset": "table42", "column names": ["Polymer type", "Surfactant type", "Temperature, C", "Synthesis time"], "condition_column": ["Polymer type", "Surfactant type", "Temperature, C"], "answer_column": ["Synthesis time"], "condition": {"Polymer type": "PEI", "Surfactant type": "Hexadecyltrimethylammonium bromide", "Temperature, C": "50"}, "tool": "search_value", "answer": {"Synthesis time": "4 min 30 sec"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What synthesis duration is required for polymer type {}, surfactant type {}, and temperature {} C?"}
{"question": "Find the Digital Object Identifier (doi) for a study with an Aluminum molar ratio (Al) of 10.1016/j.micromeso.2017.03.033, Hydroxide ion concentration (OH) of 0.077, and Reaction duration (Time) of 0.125 hours.", "refer_dataset": "table40", "column names": ["doi", "Al", "OH", "Time"], "condition_column": ["doi", "Al", "OH"], "answer_column": ["Time"], "condition": {"doi": "10.1016/j.micromeso.2017.03.033", "Al": "0.077", "OH": "0.125"}, "tool": "search_value", "answer": {"Time": "336.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Digital Object Identifier (doi) for a study with an Aluminum molar ratio (Al) of {}, Hydroxide ion concentration (OH) of {}, and Reaction duration (Time) of {} hours."}
{"question": "Determine the Pauling electronegativity of element B (χpb) in materials where I1a = 5.595 kJ/mol and B_Tb = 2861.0 K.", "refer_dataset": "table3", "column names": ["I1a", "B_Tb", "χpb"], "condition_column": ["I1a", "B_Tb"], "answer_column": ["χpb"], "condition": {"I1a": "5.595", "B_Tb": "2861.0"}, "tool": "search_value", "answer": {"χpb": "1.83"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the Pauling electronegativity of element B (χpb) in materials where I1a = {} kJ/mol and B_Tb = {} K."}
{"question": "For the material with ID mp-10, what is its stability (e_hull) metric?", "refer_dataset": "table54", "column names": ["id", "e_hull"], "condition_column": ["id"], "answer_column": ["e_hull"], "condition": {"id": "mp-10"}, "tool": "search_value", "answer": {"e_hull": "0.1074050600000005"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with ID {}, what is its stability (e_hull) metric?"}
{"question": "Determine the surface valence band maximum (surf_vbm) for material BaNaBr and surface identifier Surface-JVASP-63938_miller_1_1_0_thickness_16_VASP_PBE_noDP with a final energy of -9.15083895.", "refer_dataset": "table66", "column names": ["formula", "name", "final_energy", "surf_vbm"], "condition_column": ["formula", "name", "final_energy"], "answer_column": ["surf_vbm"], "condition": {"formula": "BaNaBr", "name": "Surface-JVASP-63938_miller_1_1_0_thickness_16_VASP_PBE_noDP", "final_energy": "-9.15083895"}, "tool": "search_value", "answer": {"surf_vbm": "-0.38"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the surface valence band maximum (surf_vbm) for material {} and surface identifier {} with a final energy of {}."}
{"question": "What is the BP86 Scharber PCE if the BP86 HOMO is -0.164, LUMO is -0.126, and gap is 0.038?", "refer_dataset": "table51", "column names": ["bp86_homo", "bp86_lumo", "bp86_gap", "bp86_scharber_pce"], "condition_column": ["bp86_homo", "bp86_lumo", "bp86_gap"], "answer_column": ["bp86_scharber_pce"], "condition": {"bp86_homo": "-0.164", "bp86_lumo": "-0.126", "bp86_gap": "0.038"}, "tool": "search_value", "answer": {"bp86_scharber_pce": "-2.69453953892"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the BP86 Scharber PCE if the BP86 HOMO is {}, LUMO is {}, and gap is {}?"}
{"question": "What desorption temperature (DT) is associated with the molecular formula PrFeO3 aged for 5 hours?", "refer_dataset": "table11", "column names": ["Molecular formulas", "AH (h)", "DT (℃)"], "condition_column": ["Molecular formulas", "AH (h)"], "answer_column": ["DT (℃)"], "condition": {"Molecular formulas": "PrFeO3", "AH (h)": "5"}, "tool": "search_value", "answer": {"DT (℃)": "90"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What desorption temperature (DT) is associated with the molecular formula {} aged for {} hours?"}
{"question": "Determine the defective structure energy for the job ID JVASP-943 and its corresponding Wyckoff position a.", "refer_dataset": "table68", "column names": ["jid", "wycoff", "defective_energy"], "condition_column": ["jid", "wycoff"], "answer_column": ["defective_energy"], "condition": {"jid": "JVASP-943", "wycoff": "a"}, "tool": "search_value", "answer": {"defective_energy": "-146.28874277"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the defective structure energy for the job ID {} and its corresponding Wyckoff position {}."}
{"question": "What conduction band minimum (CBM) corresponds to a bandgap of -0.4502999999999995 and an alignment offset of -0.9168658555902556?", "refer_dataset": "table52", "column names": ["optb88vdw_bandgap", "offset", "optb88vdw_cbm"], "condition_column": ["optb88vdw_bandgap", "offset"], "answer_column": ["optb88vdw_cbm"], "condition": {"optb88vdw_bandgap": "-0.4502999999999995", "offset": "-0.9168658555902556"}, "tool": "search_value", "answer": {"optb88vdw_cbm": "5.1609"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What conduction band minimum (CBM) corresponds to a bandgap of {} and an alignment offset of {}?"}
{"question": "Given the BP86 Scharber PCE of 1.02178314503, what is the corresponding BP86 HOMO energy?", "refer_dataset": "table51", "column names": ["bp86_scharber_pce", "bp86_homo"], "condition_column": ["bp86_scharber_pce"], "answer_column": ["bp86_homo"], "condition": {"bp86_scharber_pce": "1.02178314503"}, "tool": "search_value", "answer": {"bp86_homo": "-0.172"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given the BP86 Scharber PCE of {}, what is the corresponding BP86 HOMO energy?"}
{"question": "What is the largest cavity diameter for an MOF with maximum CO₂ adsorption capacity of 11.2144?", "refer_dataset": "table50", "column names": ["max_co2_adsp", "lcd"], "condition_column": ["max_co2_adsp"], "answer_column": ["lcd"], "condition": {"max_co2_adsp": "11.2144"}, "tool": "search_value", "answer": {"lcd": "9.25"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the largest cavity diameter for an MOF with maximum CO₂ adsorption capacity of {}?"}
{"question": "Which anion element is present in the crystal structure of the material composition Ba2La6Fe8O24?", "refer_dataset": "table35", "column names": ["Material Composition", "X site"], "condition_column": ["Material Composition"], "answer_column": ["X site"], "condition": {"Material Composition": "Ba2La6Fe8O24"}, "tool": "search_value", "answer": {"X site": "O"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which anion element is present in the crystal structure of the material composition {}?"}
{"question": "What is the energy indicating phase separation tendency for the material with ID agm003188153?", "refer_dataset": "table44", "column names": ["mat_id", "e_phase_separation"], "condition_column": ["mat_id"], "answer_column": ["e_phase_separation"], "condition": {"mat_id": "agm003188153"}, "tool": "search_value", "answer": {"e_phase_separation": "0.00043611915"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy indicating phase separation tendency for the material with ID {}?"}
{"question": "What is the reaction energy (eV) for adsorbed carbon CH3* and hydrogen CH3* on surface -1?", "refer_dataset": "table18", "column names": ["b", "a", "surfaces", "reaction_energy"], "condition_column": ["b", "a", "surfaces"], "answer_column": ["reaction_energy"], "condition": {"b": "CH3*", "a": "CH3*", "surfaces": "-1"}, "tool": "search_value", "answer": {"reaction_energy": "0.38"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the reaction energy (eV) for adsorbed carbon {} and hydrogen {} on surface {}?"}
{"question": "What is the radius ratio (Ra/Rb) for the material composition NaNb0.5Ta0.5O3?", "refer_dataset": "table2", "column names": ["Materials", "Ra/Rb"], "condition_column": ["Materials"], "answer_column": ["Ra/Rb"], "condition": {"Materials": "NaNb0.5Ta0.5O3"}, "tool": "search_value", "answer": {"Ra/Rb": "1.931"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the radius ratio (Ra/Rb) for the material composition {}?"}
{"question": "Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of -8.733847618103027 and heat capacity (Cv) of 6.001999855041504.", "refer_dataset": "table60", "column names": ["G", "Cv", "zpve"], "condition_column": ["G", "Cv"], "answer_column": ["zpve"], "condition": {"G": "-8.733847618103027", "Cv": "6.001999855041504"}, "tool": "search_value", "answer": {"zpve": "0.5816434025764465"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of {} and heat capacity (Cv) of {}."}
{"question": "What is the bulk modulus value for the material BaN2, identified by its formula?", "refer_dataset": "table54", "column names": ["formula", "bulk modulus"], "condition_column": ["formula"], "answer_column": ["bulk modulus"], "condition": {"formula": "BaN2"}, "tool": "search_value", "answer": {"bulk modulus": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk modulus value for the material {}, identified by its formula?"}
{"question": "Find the Bader atomic volumes for the material with ID 185e329bf1e88217-desc.", "refer_dataset": "table43", "column names": ["id", "bader_atomic_volumes"], "condition_column": ["id"], "answer_column": ["bader_atomic_volumes"], "condition": {"id": "185e329bf1e88217-desc"}, "tool": "search_value", "answer": {"bader_atomic_volumes": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Bader atomic volumes for the material with ID {}."}
{"question": "Determine the refractive index value for the material with ID Perov-7.", "refer_dataset": "table49", "column names": ["id", "Ref_ind"], "condition_column": ["id"], "answer_column": ["Ref_ind"], "condition": {"id": "Perov-7"}, "tool": "search_value", "answer": {"Ref_ind": "2.26"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the refractive index value for the material with ID {}."}
{"question": "What total flow rate (mL/min) yields 16.6% C₂ with Metal 1 component Na and argon partial pressure 0.15 atm?", "refer_dataset": "table23", "column names": ["C2 yield (%)", "M1", "PAr (atm)", "Total flow (mL/min)"], "condition_column": ["C2 yield (%)", "M1", "PAr (atm)"], "answer_column": ["Total flow (mL/min)"], "condition": {"C2 yield (%)": "16.6", "M1": "Na", "PAr (atm)": "0.15"}, "tool": "search_value", "answer": {"Total flow (mL/min)": "10.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What total flow rate (mL/min) yields {}% C₂ with Metal 1 component {} and argon partial pressure {} atm?"}
{"question": "Which elastic tensor is recorded for the material with job ID JVASP-76525?", "refer_dataset": "table48", "column names": ["jid", "elastic_tensor"], "condition_column": ["jid"], "answer_column": ["elastic_tensor"], "condition": {"jid": "JVASP-76525"}, "tool": "search_value", "answer": {"elastic_tensor": "na"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which elastic tensor is recorded for the material with job ID {}?"}
{"question": "Find the pore limiting diameter of the MOF with ID hMOF-5073430, maximum adsorption 2.09167, and volumetric surface area 2192.5 m²/cm³.", "refer_dataset": "table50", "column names": ["id", "max_co2_adsp", "surface_area_m2cm3", "pld"], "condition_column": ["id", "max_co2_adsp", "surface_area_m2cm3"], "answer_column": ["pld"], "condition": {"id": "hMOF-5073430", "max_co2_adsp": "2.09167", "surface_area_m2cm3": "2192.5"}, "tool": "search_value", "answer": {"pld": "10.25"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the pore limiting diameter of the MOF with ID {}, maximum adsorption {}, and volumetric surface area {} m²/cm³."}
{"question": "What is the cycle1 performance measurement for the perovskite compound CaIn0.5Nb0.5O3?", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "cycle1"], "condition_column": ["Full Name of Perovskite"], "answer_column": ["cycle1"], "condition": {"Full Name of Perovskite": "CaIn0.5Nb0.5O3"}, "tool": "search_value", "answer": {"cycle1": "0.2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the cycle1 performance measurement for the perovskite compound {}?"}
{"question": "Which reference (Ref.) corresponds to the perovskite oxide LaCo0.90Mg0.10O3 aged for 4 hours with desorption at 110℃?", "refer_dataset": "table11", "column names": ["Molecular formulas", "AH (h)", "DT (℃)", "Ref."], "condition_column": ["Molecular formulas", "AH (h)", "DT (℃)"], "answer_column": ["Ref."], "condition": {"Molecular formulas": "LaCo0.90Mg0.10O3", "AH (h)": "4", "DT (℃)": "110"}, "tool": "search_value", "answer": {"Ref.": "[27]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which reference (Ref.) corresponds to the perovskite oxide {} aged for {} hours with desorption at {}℃?"}
{"question": "What is the duration of cycles for a perovskite where the primary A site is Na, the secondary A2 site is La, and the cycle2 performance is 2785.7?", "refer_dataset": "table5", "column names": ["A site", "A2 site", "cycle2", "Duration of cycles (h)"], "condition_column": ["A site", "A2 site", "cycle2"], "answer_column": ["Duration of cycles (h)"], "condition": {"A site": "Na", "A2 site": "La", "cycle2": "2785.7"}, "tool": "search_value", "answer": {"Duration of cycles (h)": "7.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the duration of cycles for a perovskite where the primary A site is {}, the secondary A2 site is {}, and the cycle2 performance is {}?"}
{"question": "What is the ionic dielectric contribution (diel_ion) for the entry sourced from 0.500587?", "refer_dataset": "table58", "column names": ["diel_ion", "src"], "condition_column": ["diel_ion"], "answer_column": ["src"], "condition": {"diel_ion": "0.500587"}, "tool": "search_value", "answer": {"src": "Hobson-Windle:Macromolecules.26.6903(1993)"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ionic dielectric contribution (diel_ion) for the entry sourced from {}?"}
{"question": "What reactor volume (mL) corresponds to experiments with a total product yield of 30.0 mmol/g?", "refer_dataset": "table7", "column names": ["total", "Reactor_Volume"], "condition_column": ["total"], "answer_column": ["Reactor_Volume"], "condition": {"total": "30.0"}, "tool": "search_value", "answer": {"Reactor_Volume": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reactor volume (mL) corresponds to experiments with a total product yield of {} mmol/g?"}
{"question": "What material ID is linked to a formula_energy of 465?", "refer_dataset": "table64", "column names": ["id", "formula_energy"], "condition_column": ["id"], "answer_column": ["formula_energy"], "condition": {"id": "465"}, "tool": "search_value", "answer": {"formula_energy": "-2.84179646508"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What material ID is linked to a formula_energy of {}?"}
{"question": "When was the paper titled Polymer Quantum Mechanics and its Continuum Limit last updated?", "refer_dataset": "table45", "column names": ["title", "update_date"], "condition_column": ["title"], "answer_column": ["update_date"], "condition": {"title": "Polymer Quantum Mechanics and its Continuum Limit"}, "tool": "search_value", "answer": {"update_date": "2008-11-26"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "When was the paper titled {} last updated?"}
{"question": "Determine the year of publication for a study on Re catalysts with 1.0 co-catalyst and 0.0 functionalization.", "refer_dataset": "table12", "column names": ["Material", "Co catalyst", "Functionalization", "Year"], "condition_column": ["Material", "Co catalyst", "Functionalization"], "answer_column": ["Year"], "condition": {"Material": "Re", "Co catalyst": "1.0", "Functionalization": "0.0"}, "tool": "search_value", "answer": {"Year": "2001.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the year of publication for a study on {} catalysts with {} co-catalyst and {} functionalization."}
{"question": "What is the unit cell volume of the material with ID mp-1113354?", "refer_dataset": "table55", "column names": ["id", "volume"], "condition_column": ["id"], "answer_column": ["volume"], "condition": {"id": "mp-1113354"}, "tool": "search_value", "answer": {"volume": "339.86850308716544"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unit cell volume of the material with ID {}?"}
{"question": "What is the CH4/O2 molar ratio required for 28.1% methane conversion at a temperature of 900.0℃ with Support MgO?", "refer_dataset": "table23", "column names": ["CH4 conversion (%)", "Temp. (℃)", "Support", "CH4/O2 (mol/mol)"], "condition_column": ["CH4 conversion (%)", "Temp. (℃)", "Support"], "answer_column": ["CH4/O2 (mol/mol)"], "condition": {"CH4 conversion (%)": "28.1", "Temp. (℃)": "900.0", "Support": "MgO"}, "tool": "search_value", "answer": {"CH4/O2 (mol/mol)": "2.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CH4/O2 molar ratio required for {}% methane conversion at a temperature of {}℃ with Support {}?"}
{"question": "Report the tertiary B site element for the compound Ba2La6Fe8O24.", "refer_dataset": "table35", "column names": ["Material Composition", "B site #3"], "condition_column": ["Material Composition"], "answer_column": ["B site #3"], "condition": {"Material Composition": "Ba2La6Fe8O24"}, "tool": "search_value", "answer": {"B site #3": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the tertiary B site element for the compound {}."}
{"question": "Identify the polymer type associated with CO3 ion 225 mM, surfactant 0.0%, and synthesis time 28 min 10 sec.", "refer_dataset": "table42", "column names": ["CO3 ion, mM", "Surfactant, % wt.", "Synthesis time", "Polymer type"], "condition_column": ["CO3 ion, mM", "Surfactant, % wt.", "Synthesis time"], "answer_column": ["Polymer type"], "condition": {"CO3 ion, mM": "225", "Surfactant, % wt.": "0.0", "Synthesis time": "28 min 10 sec"}, "tool": "search_value", "answer": {"Polymer type": "PVP"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the polymer type associated with CO3 ion {} mM, surfactant {}%, and synthesis time {}."}
{"question": "What is the largest cavity diameter of an MOF with minimum adsorption 0.143114, void fraction 0.637972, and pressure [0.01, 0.05, 0.1, 0.5, 2.5] bar?", "refer_dataset": "table50", "column names": ["min_co2_adsp", "void_fraction", "co2_pressures", "lcd"], "condition_column": ["min_co2_adsp", "void_fraction", "co2_pressures"], "answer_column": ["lcd"], "condition": {"min_co2_adsp": "0.143114", "void_fraction": "0.637972", "co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "tool": "search_value", "answer": {"lcd": "5.25"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the largest cavity diameter of an MOF with minimum adsorption {}, void fraction {}, and pressure {} bar?"}
{"question": "If feature 45 is YbFeO3, which perovskite compound matches this value?", "refer_dataset": "table14", "column names": ["Perovskite", "45"], "condition_column": ["Perovskite"], "answer_column": ["45"], "condition": {"Perovskite": "YbFeO3"}, "tool": "search_value", "answer": {"45": "0.014474"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If feature 45 is {}, which perovskite compound matches this value?"}
{"question": "At what calcination temperature (CT) was preparation method 1 applied to achieve a desorption temperature of 90℃?", "refer_dataset": "table11", "column names": ["PM", "DT (℃)", "CT (℃)"], "condition_column": ["PM", "DT (℃)"], "answer_column": ["CT (℃)"], "condition": {"PM": "1", "DT (℃)": "90"}, "tool": "search_value", "answer": {"CT (℃)": "500"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what calcination temperature (CT) was preparation method {} applied to achieve a desorption temperature of {}℃?"}
{"question": "Find the stability (e_hull) of the compound Mg(ScSe2)2 with a bulk modulus of 57.0 and magnetic moment (mu_b) of 0.0009920999999999.", "refer_dataset": "table54", "column names": ["formula", "bulk modulus", "mu_b", "e_hull"], "condition_column": ["formula", "bulk modulus", "mu_b"], "answer_column": ["e_hull"], "condition": {"formula": "Mg(ScSe2)2", "bulk modulus": "57.0", "mu_b": "0.0009920999999999"}, "tool": "search_value", "answer": {"e_hull": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the stability (e_hull) of the compound {} with a bulk modulus of {} and magnetic moment (mu_b) of {}."}
{"question": "What is the band alignment offset if the OptB88-vdW bandgap is -0.2770000000000001 and the conduction band minimum (CBM) is 4.6017?", "refer_dataset": "table52", "column names": ["optb88vdw_bandgap", "optb88vdw_cbm", "offset"], "condition_column": ["optb88vdw_bandgap", "optb88vdw_cbm"], "answer_column": ["offset"], "condition": {"optb88vdw_bandgap": "-0.2770000000000001", "optb88vdw_cbm": "4.6017"}, "tool": "search_value", "answer": {"offset": "-0.18972361881771116"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band alignment offset if the OptB88-vdW bandgap is {} and the conduction band minimum (CBM) is {}?"}
{"question": "What is the B-site oxygen property (B_O) of a material with an octahedral factor of 0.458571428571?", "refer_dataset": "table37", "column names": ["octahedral_factor", "B_O"], "condition_column": ["octahedral_factor"], "answer_column": ["B_O"], "condition": {"octahedral_factor": "0.458571428571"}, "tool": "search_value", "answer": {"B_O": "2.042"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the B-site oxygen property (B_O) of a material with an octahedral factor of {}?"}
{"question": "What geometric shape (polyhedron) surrounds the lanthanide ion in compound [Pc2Dy]TBA?", "refer_dataset": "table34", "column names": ["compound", "closest_polyhedron"], "condition_column": ["compound"], "answer_column": ["closest_polyhedron"], "condition": {"compound": "[Pc2Dy]TBA"}, "tool": "search_value", "answer": {"closest_polyhedron": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What geometric shape (polyhedron) surrounds the lanthanide ion in compound {}?"}
{"question": "For a material with HSE decomposition energy of -0.33 eV and an electronic permittivity (Eps_elec) of 4.19, what is the PBE bandgap?", "refer_dataset": "table49", "column names": ["HSE_decomp_energy", "Eps_elec", "PBE_gap"], "condition_column": ["HSE_decomp_energy", "Eps_elec"], "answer_column": ["PBE_gap"], "condition": {"HSE_decomp_energy": "-0.33", "Eps_elec": "4.19"}, "tool": "search_value", "answer": {"PBE_gap": "1.61"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a material with HSE decomposition energy of {} eV and an electronic permittivity (Eps_elec) of {}, what is the PBE bandgap?"}
{"question": "Provide the reference identifier for the perovskite compound La:NaTaO3 that has primary A site Na and cycle3 measurement 5266.7.", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "A site", "cycle3", "Ref"], "condition_column": ["Full Name of Perovskite", "A site", "cycle3"], "answer_column": ["Ref"], "condition": {"Full Name of Perovskite": "La:NaTaO3", "A site": "Na", "cycle3": "5266.7"}, "tool": "search_value", "answer": {"Ref": "[A74]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the reference identifier for the perovskite compound {} that has primary A site {} and cycle3 measurement {}."}
{"question": "Determine the electronic polarizability (alpha) for the molecule with SMILES notation N.", "refer_dataset": "table61", "column names": ["SMILES", "alpha"], "condition_column": ["SMILES"], "answer_column": ["alpha"], "condition": {"SMILES": "N"}, "tool": "search_value", "answer": {"alpha": "-8.05350499818663"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the electronic polarizability (alpha) for the molecule with SMILES notation {}."}
{"question": "Convert the Extracted Value 354.2557 with Units °C to Normalised Units.", "refer_dataset": "table33", "column names": ["Extracted Value", "Extracted Units", "Normalised Value"], "condition_column": ["Extracted Value", "Extracted Units"], "answer_column": ["Normalised Value"], "condition": {"Extracted Value": "354.2557", "Extracted Units": "°C"}, "tool": "search_value", "answer": {"Normalised Value": "627.2556999999999"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Convert the Extracted Value {} with Units {} to Normalised Units."}
{"question": "For the material with ID Perov-7, what is the tolerance factor (Tol)?", "refer_dataset": "table49", "column names": ["id", "Tol"], "condition_column": ["id"], "answer_column": ["Tol"], "condition": {"id": "Perov-7"}, "tool": "search_value", "answer": {"Tol": "0.912"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with ID {}, what is the tolerance factor (Tol)?"}
{"question": "What is the spectrolimited efficiency (SLME) for materials with spg_symbol P-31m and job identifier JVASP-76515?", "refer_dataset": "table48", "column names": ["spg_symbol", "jid", "slme"], "condition_column": ["spg_symbol", "jid"], "answer_column": ["slme"], "condition": {"spg_symbol": "P-31m", "jid": "JVASP-76515"}, "tool": "search_value", "answer": {"slme": "6.32"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the spectrolimited efficiency (SLME) for materials with spg_symbol {} and job identifier {}?"}
{"question": "Determine the surface energy (surf_en) for material CdSe with surface identifier Surface-JVASP-7671_miller_1_1_0_thickness_16_VASP_PBE_noDP and initial atomic structure {'lattice_mat': [[7.54784, 0.0, 0.0], [0.0, 7.13617, 0.0], [0.0, 0.0, 20.71552]], 'coords': [[0.08333333, 0.56260745, 0.05259052], [0.58333333, 0.56260745, 0.15777156], [0.08333333, 0.56260745, 0.26295261], [0.58333333, 0.56260745, 0.36813365], [0.41666667, 0.06260745, 0.05259052], [0.91666667, 0.06260745, 0.15777156], [0.41666667, 0.06260745, 0.26295261], [0.91666667, 0.06260745, 0.36813365], [0.08333333, 0.93739255, 0.05259052], [0.58333333, 0.93739255, 0.15777156], [0.08333333, 0.93739255, 0.26295261], [0.58333333, 0.93739255, 0.36813365], [0.41666667, 0.43739255, 0.05259052], [0.91666667, 0.43739255, 0.15777156], [0.41666667, 0.43739255, 0.26295261], [0.91666667, 0.43739255, 0.36813365]], 'elements': ['Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se'], 'abc': [7.54784, 7.13617, 20.71552], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}.", "refer_dataset": "table66", "column names": ["formula", "name", "initial_atoms", "surf_en"], "condition_column": ["formula", "name", "initial_atoms"], "answer_column": ["surf_en"], "condition": {"formula": "CdSe", "name": "Surface-JVASP-7671_miller_1_1_0_thickness_16_VASP_PBE_noDP", "initial_atoms": "{'lattice_mat': [[7.54784, 0.0, 0.0], [0.0, 7.13617, 0.0], [0.0, 0.0, 20.71552]], 'coords': [[0.08333333, 0.56260745, 0.05259052], [0.58333333, 0.56260745, 0.15777156], [0.08333333, 0.56260745, 0.26295261], [0.58333333, 0.56260745, 0.36813365], [0.41666667, 0.06260745, 0.05259052], [0.91666667, 0.06260745, 0.15777156], [0.41666667, 0.06260745, 0.26295261], [0.91666667, 0.06260745, 0.36813365], [0.08333333, 0.93739255, 0.05259052], [0.58333333, 0.93739255, 0.15777156], [0.08333333, 0.93739255, 0.26295261], [0.58333333, 0.93739255, 0.36813365], [0.41666667, 0.43739255, 0.05259052], [0.91666667, 0.43739255, 0.15777156], [0.41666667, 0.43739255, 0.26295261], [0.91666667, 0.43739255, 0.36813365]], 'elements': ['Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Cd', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se'], 'abc': [7.54784, 7.13617, 20.71552], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}"}, "tool": "search_value", "answer": {"surf_en": "0.356252538974425"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the surface energy (surf_en) for material {} with surface identifier {} and initial atomic structure {}."}
{"question": "At what temperature in Celsius (°C) is the magnetization 75.0 emu/cm³ observed?", "refer_dataset": "table32", "column names": ["emu/cm^3", "°C"], "condition_column": ["emu/cm^3"], "answer_column": ["°C"], "condition": {"emu/cm^3": "75.0"}, "tool": "search_value", "answer": {"°C": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what temperature in Celsius (°C) is the magnetization {} emu/cm³ observed?"}
{"question": "What is the count of A atoms when the formation energy is 1.16 eV, element B is He, and C_AtomN is 3?", "refer_dataset": "table22", "column names": ["Formation_E", "B", "C_AtomN", "An"], "condition_column": ["Formation_E", "B", "C_AtomN"], "answer_column": ["An"], "condition": {"Formation_E": "1.16", "B": "He", "C_AtomN": "3"}, "tool": "search_value", "answer": {"An": "2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the count of A atoms when the formation energy is {} eV, element B is {}, and C_AtomN is {}?"}
{"question": "What is the feature 7 value for the perovskite BaZrO3?", "refer_dataset": "table14", "column names": ["Perovskite", "7"], "condition_column": ["Perovskite"], "answer_column": ["7"], "condition": {"Perovskite": "BaZrO3"}, "tool": "search_value", "answer": {"7": "0.036582"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the feature 7 value for the perovskite {}?"}
{"question": "What entry ID has a BP86 Scharber Jsc of 232.178091878, a BP86 HOMO of -0.16, and an M06 gap of 0.148?", "refer_dataset": "table51", "column names": ["bp86_scharber_jsc", "bp86_homo", "m06_gap", "id"], "condition_column": ["bp86_scharber_jsc", "bp86_homo", "m06_gap"], "answer_column": ["id"], "condition": {"bp86_scharber_jsc": "232.178091878", "bp86_homo": "-0.16", "m06_gap": "0.148"}, "tool": "search_value", "answer": {"id": "54"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What entry ID has a BP86 Scharber Jsc of {}, a BP86 HOMO of {}, and an M06 gap of {}?"}
{"question": "Determine the formula corresponding to the material with ID 1454.", "refer_dataset": "table64", "column names": ["id", "formula"], "condition_column": ["id"], "answer_column": ["formula"], "condition": {"id": "1454"}, "tool": "search_value", "answer": {"formula": "MoS2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the formula corresponding to the material with ID {}."}
{"question": "Find the internal energy (U) for a sample that has a statistical correlation coefficient (R²) of -4.11464477806684 and a heat capacity (Cv) of -6.18353212813309.", "refer_dataset": "table61", "column names": ["R2", "Cv", "U"], "condition_column": ["R2", "Cv"], "answer_column": ["U"], "condition": {"R2": "-4.11464477806684", "Cv": "-6.18353212813309"}, "tool": "search_value", "answer": {"U": "5.69336539320842"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the internal energy (U) for a sample that has a statistical correlation coefficient (R²) of {} and a heat capacity (Cv) of {}."}
{"question": "What is the shear modulus of a material with elastic anisotropy 0.353098671453079 and formula Hf2S?", "refer_dataset": "table56", "column names": ["elastic anisotropy", "formula", "shear modulus"], "condition_column": ["elastic anisotropy", "formula"], "answer_column": ["shear modulus"], "condition": {"elastic anisotropy": "0.353098671453079", "formula": "Hf2S"}, "tool": "search_value", "answer": {"shear modulus": "73.9131569870325"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the shear modulus of a material with elastic anisotropy {} and formula {}?"}
{"question": "Provide the ICSD ID for a material with formation energy per atom of -2.0471046571742795 and 1.3068238% total magnetization.", "refer_dataset": "table55", "column names": ["formation_energy_per_atom", "total_magnetization", "icsd_ids"], "condition_column": ["formation_energy_per_atom", "total_magnetization"], "answer_column": ["icsd_ids"], "condition": {"formation_energy_per_atom": "-2.0471046571742795", "total_magnetization": "1.3068238"}, "tool": "search_value", "answer": {"icsd_ids": "[]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the ICSD ID for a material with formation energy per atom of {} and {}% total magnetization."}
{"question": "How much energy above hull does a material exhibit if its Goldschmidt TF is 0.987384857667, octahedral_factor is 0.378571428571, and s-orbital B-site electrons are unfilled in the range 0?", "refer_dataset": "table37", "column names": ["goldschmidt_TF", "octahedral_factor", "Bsite_NsUnfilled_range", "EnergyAboveHull"], "condition_column": ["goldschmidt_TF", "octahedral_factor", "Bsite_NsUnfilled_range"], "answer_column": ["EnergyAboveHull"], "condition": {"goldschmidt_TF": "0.987384857667", "octahedral_factor": "0.378571428571", "Bsite_NsUnfilled_range": "0"}, "tool": "search_value", "answer": {"EnergyAboveHull": "106.70233503"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How much energy above hull does a material exhibit if its Goldschmidt TF is {}, octahedral_factor is {}, and s-orbital B-site electrons are unfilled in the range {}?"}
{"question": "Where is the file stored for the material with prototype structure identifier A_18_spg225?", "refer_dataset": "table44", "column names": ["prototype_id", "location"], "condition_column": ["prototype_id"], "answer_column": ["location"], "condition": {"prototype_id": "A_18_spg225"}, "tool": "search_value", "answer": {"location": "extra/batch-001/Ac/Ac/xxx_02a-00_agm003157159_spg225"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Where is the file stored for the material with prototype structure identifier {}?"}
{"question": "Calculate the first ionization energy of element B (I1b) in materials with Ra = 110.5 Å, χpb = 1.69, and A_Tb = 1473.0 K.", "refer_dataset": "table3", "column names": ["Ra", "χpb", "A_Tb", "I1b"], "condition_column": ["Ra", "χpb", "A_Tb"], "answer_column": ["I1b"], "condition": {"Ra": "110.5", "χpb": "1.69", "A_Tb": "1473.0"}, "tool": "search_value", "answer": {"I1b": "7.365"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the first ionization energy of element B (I1b) in materials with Ra = {} Å, χpb = {}, and A_Tb = {} K."}
{"question": "What is the adsorbed hydrogen (H*) identifier for species HCOOH*?", "refer_dataset": "table18", "column names": ["a", "a_key"], "condition_column": ["a"], "answer_column": ["a_key"], "condition": {"a": "HCOOH*"}, "tool": "search_value", "answer": {"a_key": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the adsorbed hydrogen (H*) identifier for species {}?"}
{"question": "What is the surface identifier key for element Cu on surface -211 with reaction energy 0.744 eV?", "refer_dataset": "table18", "column names": ["AA", "surfaces", "reaction_energy", "surfaces_key"], "condition_column": ["AA", "surfaces", "reaction_energy"], "answer_column": ["surfaces_key"], "condition": {"AA": "Cu", "surfaces": "-211", "reaction_energy": "0.744"}, "tool": "search_value", "answer": {"surfaces_key": "5"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the surface identifier key for element {} on surface {} with reaction energy {} eV?"}
{"question": "Calculate the shear modulus for the material with formula RbYbS2 and gap pbe value of 0.0:", "refer_dataset": "table56", "column names": ["formula", "gap pbe", "shear modulus"], "condition_column": ["formula", "gap pbe"], "answer_column": ["shear modulus"], "condition": {"formula": "RbYbS2", "gap pbe": "0.0"}, "tool": "search_value", "answer": {"shear modulus": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the shear modulus for the material with formula {} and gap pbe value of {}:"}
{"question": "Report the number of sites for a material with Hubbard U values {'Ba': 0.0, 'Yb': 0.0, 'Fe': 5.3, 'O': 0.0} and oxide type oxide.", "refer_dataset": "table55", "column names": ["hubbards", "oxide_type", "nsites"], "condition_column": ["hubbards", "oxide_type"], "answer_column": ["nsites"], "condition": {"hubbards": "{'Ba': 0.0, 'Yb': 0.0, 'Fe': 5.3, 'O': 0.0}", "oxide_type": "oxide"}, "tool": "search_value", "answer": {"nsites": "13"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the number of sites for a material with Hubbard U values {} and oxide type {}."}
{"question": "Which source database contains the material with pore limiting diameter 0.39926 Å?", "refer_dataset": "table62", "column names": ["pld", "source"], "condition_column": ["pld"], "answer_column": ["source"], "condition": {"pld": "0.39926"}, "tool": "search_value", "answer": {"source": "CSD"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which source database contains the material with pore limiting diameter {} Å?"}
{"question": "What license type applies to the paper authored by Y. H. Pong and C. K. Law and last updated on 2015-05-13?", "refer_dataset": "table45", "column names": ["authors", "update_date", "license"], "condition_column": ["authors", "update_date"], "answer_column": ["license"], "condition": {"authors": "Y. H. Pong and C. K. Law", "update_date": "2015-05-13"}, "tool": "search_value", "answer": {"license": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What license type applies to the paper authored by {} and last updated on {}?"}
{"question": "Determine the defective structure energy for the job ID JVASP-25273 and its corresponding Wyckoff position a.", "refer_dataset": "table68", "column names": ["jid", "wycoff", "defective_energy"], "condition_column": ["jid", "wycoff"], "answer_column": ["defective_energy"], "condition": {"jid": "JVASP-25273", "wycoff": "a"}, "tool": "search_value", "answer": {"defective_energy": "57.64338493"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the defective structure energy for the job ID {} and its corresponding Wyckoff position {}."}
{"question": "Identify the material ID linked to a total energy per atom of -6.7996637133333335.", "refer_dataset": "table67", "column names": ["energy_per_atom", "material_id"], "condition_column": ["energy_per_atom"], "answer_column": ["material_id"], "condition": {"energy_per_atom": "-6.7996637133333335"}, "tool": "search_value", "answer": {"material_id": "2dm-6367"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the material ID linked to a total energy per atom of {}."}
{"question": "What is the unique identifier (id) of a material with formula Hf2S, shear modulus 73.9131569870325, and elastic anisotropy 0.353098671453079?", "refer_dataset": "table54", "column names": ["formula", "shear modulus", "elastic anisotropy", "id"], "condition_column": ["formula", "shear modulus", "elastic anisotropy"], "answer_column": ["id"], "condition": {"formula": "Hf2S", "shear modulus": "73.9131569870325", "elastic anisotropy": "0.353098671453079"}, "tool": "search_value", "answer": {"id": "mp-10000"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unique identifier (id) of a material with formula {}, shear modulus {}, and elastic anisotropy {}?"}
{"question": "How does pore volume (cm³/g) vary for materials with surface area 180.41 m²/g, pH 6.3, and illumination time 15 minutes?", "refer_dataset": "table6", "column names": ["Surface area (m2/g)", "pH", "Illumination time (min)", "Pore Volume (cm3/g)"], "condition_column": ["Surface area (m2/g)", "pH", "Illumination time (min)"], "answer_column": ["Pore Volume (cm3/g)"], "condition": {"Surface area (m2/g)": "180.41", "pH": "6.3", "Illumination time (min)": "15"}, "tool": "search_value", "answer": {"Pore Volume (cm3/g)": "0.32"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How does pore volume (cm³/g) vary for materials with surface area {} m²/g, pH {}, and illumination time {} minutes?"}
{"question": "What oxygen partial pressure is required to achieve a CH₄ conversion of 8.4 at a contact time of 0.04?", "refer_dataset": "table20", "column names": ["CH4-conversion%", "Contact-times", "O2-pressure"], "condition_column": ["CH4-conversion%", "Contact-times"], "answer_column": ["O2-pressure"], "condition": {"CH4-conversion%": "8.4", "Contact-times": "0.04"}, "tool": "search_value", "answer": {"O2-pressure": "0.084"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What oxygen partial pressure is required to achieve a CH₄ conversion of {} at a contact time of {}?"}
{"question": "Which secondary metal (M2) is paired with the primary metal Tb?", "refer_dataset": "table28", "column names": ["M1", "M2"], "condition_column": ["M1"], "answer_column": ["M2"], "condition": {"M1": "Tb"}, "tool": "search_value", "answer": {"M2": "Hf"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which secondary metal (M2) is paired with the primary metal {}?"}
{"question": "When was the article with DOI 10.1039/c7nr00460e added to the database?", "refer_dataset": "table13", "column names": ["DOI", "Indexed_Date"], "condition_column": ["DOI"], "answer_column": ["Indexed_Date"], "condition": {"DOI": "10.1039/c7nr00460e"}, "tool": "search_value", "answer": {"Indexed_Date": "2017-03-21 00:00:00"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "When was the article with DOI {} added to the database?"}
{"question": "If the PBE0 Scharber Voc is 1.876309511, what is the PBE0 gap?", "refer_dataset": "table51", "column names": ["pbe0_scharber_voc", "pbe0_gap"], "condition_column": ["pbe0_scharber_voc"], "answer_column": ["pbe0_gap"], "condition": {"pbe0_scharber_voc": "1.876309511"}, "tool": "search_value", "answer": {"pbe0_gap": "0.17"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If the PBE0 Scharber Voc is {}, what is the PBE0 gap?"}
{"question": "Determine the Structure-directing agent amount (SDA) required for a reaction with Germanium molar ratio (Ge) of 0.292, Hydrofluoric acid quantity (HF) of 0.167, and Framework Density 1 parameter (FD1) of 0.0.", "refer_dataset": "table40", "column names": ["SDA", "Ge", "HF", "FD1"], "condition_column": ["SDA", "Ge", "HF"], "answer_column": ["FD1"], "condition": {"SDA": "0.292", "Ge": "0.167", "HF": "0.0"}, "tool": "search_value", "answer": {"FD1": "16.2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the Structure-directing agent amount (SDA) required for a reaction with Germanium molar ratio (Ge) of {}, Hydrofluoric acid quantity (HF) of {}, and Framework Density 1 parameter (FD1) of {}."}
{"question": "Retrieve the stability metric for the material with entry ID 472986.0 and delta_e value of 0.346445287061782.", "refer_dataset": "table57", "column names": ["_oqmd_entry_id", "_oqmd_delta_e", "_oqmd_stability"], "condition_column": ["_oqmd_entry_id", "_oqmd_delta_e"], "answer_column": ["_oqmd_stability"], "condition": {"_oqmd_entry_id": "472986.0", "_oqmd_delta_e": "0.346445287061782"}, "tool": "search_value", "answer": {"_oqmd_stability": "0.51453497060345"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the stability metric for the material with entry ID {} and delta_e value of {}."}
{"question": "What Hydroxide ion concentration (OH) is required when Silicon molar ratio (Si) is 0.15, Germanium molar ratio (Ge) is 1, and Amorphous content indicator (Am) is 0.05?", "refer_dataset": "table40", "column names": ["OH", "Si", "Ge", "Am"], "condition_column": ["OH", "Si", "Ge"], "answer_column": ["Am"], "condition": {"OH": "0.15", "Si": "1", "Ge": "0.05"}, "tool": "search_value", "answer": {"Am": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What Hydroxide ion concentration (OH) is required when Silicon molar ratio (Si) is {}, Germanium molar ratio (Ge) is {}, and Amorphous content indicator (Am) is {}?"}
{"question": "What is the radiation wavelength used in the structure determination of file 1000033?", "refer_dataset": "table38", "column names": ["file", "wavelength"], "condition_column": ["file"], "answer_column": ["wavelength"], "condition": {"file": "1000033"}, "tool": "search_value", "answer": {"wavelength": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the radiation wavelength used in the structure determination of file {}?"}
{"question": "Which material type classification corresponds to the bulk formula Xe and chemical potential value 2.31789515?", "refer_dataset": "table68", "column names": ["bulk_formula", "chem_pot", "material_type"], "condition_column": ["bulk_formula", "chem_pot"], "answer_column": ["material_type"], "condition": {"bulk_formula": "Xe", "chem_pot": "2.31789515"}, "tool": "search_value", "answer": {"material_type": "3D"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which material type classification corresponds to the bulk formula {} and chemical potential value {}?"}
{"question": "What is the chemical potential value recorded for the entry ID JVASP-14812_Sm_c?", "refer_dataset": "table68", "column names": ["id", "chem_pot"], "condition_column": ["id"], "answer_column": ["chem_pot"], "condition": {"id": "JVASP-14812_Sm_c"}, "tool": "search_value", "answer": {"chem_pot": "-2.034658875"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical potential value recorded for the entry ID {}?"}
{"question": "What is the unique identifier (id) for the material classified as 633?", "refer_dataset": "table58", "column names": ["id", "label"], "condition_column": ["id"], "answer_column": ["label"], "condition": {"id": "633"}, "tool": "search_value", "answer": {"label": "Cd-based_polymer"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unique identifier (id) for the material classified as {}?"}
{"question": "Determine the ethane production yield when the H2O(g) collected is none and the CH4/O2 ratio is 0,83.", "refer_dataset": "table27", "column names": ["C2H6 yield(%)", "H2O(g)", "CH4/O2 ratio"], "condition_column": ["C2H6 yield(%)", "H2O(g)"], "answer_column": ["CH4/O2 ratio"], "condition": {"C2H6 yield(%)": "none", "H2O(g)": "0,83"}, "tool": "search_value", "answer": {"CH4/O2 ratio": "3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the ethane production yield when the H2O(g) collected is {} and the CH4/O2 ratio is {}."}
{"question": "What is the lanthanide ion concentration in solution for the compound with CIF filename 643253.cif and publication year 2007?", "refer_dataset": "table34", "column names": ["CIF_file_name", "pub_year", "concentration"], "condition_column": ["CIF_file_name", "pub_year"], "answer_column": ["concentration"], "condition": {"CIF_file_name": "643253.cif", "pub_year": "2007"}, "tool": "search_value", "answer": {"concentration": "100.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the lanthanide ion concentration in solution for the compound with CIF filename {} and publication year {}?"}
{"question": "What is the radiation wavelength used in the structure determination of file 1000028?", "refer_dataset": "table38", "column names": ["file", "wavelength"], "condition_column": ["file"], "answer_column": ["wavelength"], "condition": {"file": "1000028"}, "tool": "search_value", "answer": {"wavelength": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the radiation wavelength used in the structure determination of file {}?"}
{"question": "What is the Base element present in the Composition BeF?", "refer_dataset": "table24", "column names": ["Composition", "Base"], "condition_column": ["Composition"], "answer_column": ["Base"], "condition": {"Composition": "BeF"}, "tool": "search_value", "answer": {"Base": "Be"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Base element present in the Composition {}?"}
{"question": "Determine catalyst weight (g/L) for materials with bandgap 4.5 eV and surface area 4.5 m²/g.", "refer_dataset": "table4", "column names": ["BandGap(eV)", "Surface Area(m2/g)", "CatW(g/L)"], "condition_column": ["BandGap(eV)", "Surface Area(m2/g)"], "answer_column": ["CatW(g/L)"], "condition": {"BandGap(eV)": "4.5", "Surface Area(m2/g)": "4.5"}, "tool": "search_value", "answer": {"CatW(g/L)": "1.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine catalyst weight (g/L) for materials with bandgap {} eV and surface area {} m²/g."}
{"question": "What is the indirect band gap of the compound in the '/rk2/knc6/UniveralTB/julia_data/Li_kspace/POSCAR_As_ortho_vnscf_vol_2' source folder with a space group number of 69 and 4 atoms?", "refer_dataset": "table59", "column names": ["source_folder", "spacegroup_number", "natoms", "indir_gap"], "condition_column": ["source_folder", "spacegroup_number", "natoms"], "answer_column": ["indir_gap"], "condition": {"source_folder": "'/rk2/knc6/UniveralTB/julia_data/Li_kspace/POSCAR_As_ortho_vnscf_vol_2'", "spacegroup_number": "69", "natoms": "4"}, "tool": "search_value", "answer": {"indir_gap": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the indirect band gap of the compound in the {} source folder with a space group number of {} and {} atoms?"}
{"question": "Report the total magnetization for the compound with ICSD ID [616457, 58743].", "refer_dataset": "table55", "column names": ["icsd_ids", "total_magnetization"], "condition_column": ["icsd_ids"], "answer_column": ["total_magnetization"], "condition": {"icsd_ids": "[616457, 58743]"}, "tool": "search_value", "answer": {"total_magnetization": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the total magnetization for the compound with ICSD ID {}."}
{"question": "Determine the thermodynamic stability for materials with a band gap energy of 4.113.", "refer_dataset": "table57", "column names": ["_oqmd_band_gap", "_oqmd_stability"], "condition_column": ["_oqmd_band_gap"], "answer_column": ["_oqmd_stability"], "condition": {"_oqmd_band_gap": "4.113"}, "tool": "search_value", "answer": {"_oqmd_stability": "0.0007289249999999"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the thermodynamic stability for materials with a band gap energy of {}."}
{"question": "How much is the molar mass (M) of the compound named La0.85Sr0.15FeO3?", "refer_dataset": "table3", "column names": ["Materials", "M"], "condition_column": ["Materials"], "answer_column": ["M"], "condition": {"Materials": "La0.85Sr0.15FeO3"}, "tool": "search_value", "answer": {"M": "235.06"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How much is the molar mass (M) of the compound named {}?"}
{"question": "Which subject category is assigned to the paper titled Partial cubes: structures, characterizations, and constructions?", "refer_dataset": "table45", "column names": ["title", "categories"], "condition_column": ["title"], "answer_column": ["categories"], "condition": {"title": "Partial cubes: structures, characterizations, and constructions"}, "tool": "search_value", "answer": {"categories": "math.CO"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which subject category is assigned to the paper titled {}?"}
{"question": "For the material with ID Perov-4, what is the tolerance factor (Tol)?", "refer_dataset": "table49", "column names": ["id", "Tol"], "condition_column": ["id"], "answer_column": ["Tol"], "condition": {"id": "Perov-4"}, "tool": "search_value", "answer": {"Tol": "0.951"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with ID {}, what is the tolerance factor (Tol)?"}
{"question": "What activation energy (eV) corresponds to adsorbed species CHO*?", "refer_dataset": "table18", "column names": ["ab", "activation_energy"], "condition_column": ["ab"], "answer_column": ["activation_energy"], "condition": {"ab": "CHO*"}, "tool": "search_value", "answer": {"activation_energy": "0.68"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What activation energy (eV) corresponds to adsorbed species {}?"}
{"question": "What is the energy indicating phase separation tendency for the material with ID agm005668244?", "refer_dataset": "table44", "column names": ["mat_id", "e_phase_separation"], "condition_column": ["mat_id"], "answer_column": ["e_phase_separation"], "condition": {"mat_id": "agm005668244"}, "tool": "search_value", "answer": {"e_phase_separation": "0.04604094"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy indicating phase separation tendency for the material with ID {}?"}
{"question": "Find the heat capacity at constant volume (Cv) for the sample with identifier 10.", "refer_dataset": "table61", "column names": ["id", "Cv"], "condition_column": ["id"], "answer_column": ["Cv"], "condition": {"id": "10"}, "tool": "search_value", "answer": {"Cv": "-5.24487022846595"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the heat capacity at constant volume (Cv) for the sample with identifier {}."}
{"question": "For an entry where the BP86 Scharber Jsc is 59.8978842035, what is the BP86 LUMO energy level?", "refer_dataset": "table51", "column names": ["bp86_scharber_jsc", "bp86_lumo"], "condition_column": ["bp86_scharber_jsc"], "answer_column": ["bp86_lumo"], "condition": {"bp86_scharber_jsc": "59.8978842035"}, "tool": "search_value", "answer": {"bp86_lumo": "-0.093"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For an entry where the BP86 Scharber Jsc is {}, what is the BP86 LUMO energy level?"}
{"question": "For the compound with InChI InChI=1S/CH4O3/c2-1-4-5-3/h1,3-4H, what is the LUMO energy level (eV)?", "refer_dataset": "table46", "column names": ["inchi", "lumo"], "condition_column": ["inchi"], "answer_column": ["lumo"], "condition": {"inchi": "InChI=1S/CH4O3/c2-1-4-5-3/h1,3-4H"}, "tool": "search_value", "answer": {"lumo": "-0.00391"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the compound with InChI {}, what is the LUMO energy level (eV)?"}
{"question": "Report the bulk modulus for the material with formula TlAgTe2:", "refer_dataset": "table56", "column names": ["formula", "bulk modulus"], "condition_column": ["formula"], "answer_column": ["bulk modulus"], "condition": {"formula": "TlAgTe2"}, "tool": "search_value", "answer": {"bulk modulus": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the bulk modulus for the material with formula {}:"}
{"question": "What DOI is assigned to the paper with title Calculation of prompt diphoton production cross sections at Tevatron and\n  LHC energies and parsed authors [['Balázs', 'C.', ''], ['Berger', 'E. L.', ''], ['Nadolsky', 'P. M.', ''], ['Yuan', 'C. -P.', '']]?", "refer_dataset": "table45", "column names": ["title", "authors_parsed", "doi"], "condition_column": ["title", "authors_parsed"], "answer_column": ["doi"], "condition": {"title": "Calculation of prompt diphoton production cross sections at Tevatron and\n  LHC energies", "authors_parsed": "[['Balázs', 'C.', ''], ['Berger', 'E. L.', ''], ['Nadolsky', 'P. M.', ''], ['Yuan', 'C. -P.', '']]"}, "tool": "search_value", "answer": {"doi": "10.1103/PhysRevD.76.013009"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What DOI is assigned to the paper with title {} and parsed authors {}?"}
{"question": "Identify the antibiotic dosage (mg/L) used for surface area 180.41 m²/g, pore volume 0.32 cm³/g, and degradation efficiency 50.0%.", "refer_dataset": "table6", "column names": ["Surface area (m2/g)", "Pore Volume (cm3/g)", "Degradation efficiency (%)", "Antibiotic dosage (mg/L)"], "condition_column": ["Surface area (m2/g)", "Pore Volume (cm3/g)", "Degradation efficiency (%)"], "answer_column": ["Antibiotic dosage (mg/L)"], "condition": {"Surface area (m2/g)": "180.41", "Pore Volume (cm3/g)": "0.32", "Degradation efficiency (%)": "50.0"}, "tool": "search_value", "answer": {"Antibiotic dosage (mg/L)": "50"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the antibiotic dosage (mg/L) used for surface area {} m²/g, pore volume {} cm³/g, and degradation efficiency {}%."}
{"question": "Determine the electronic polarizability (alpha) for the molecule with SMILES notation C#N.", "refer_dataset": "table61", "column names": ["SMILES", "alpha"], "condition_column": ["SMILES"], "answer_column": ["alpha"], "condition": {"SMILES": "C#N"}, "tool": "search_value", "answer": {"alpha": "-7.62159225156539"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the electronic polarizability (alpha) for the molecule with SMILES notation {}."}
{"question": "Which element has an atomic number of 76?", "refer_dataset": "table18", "column names": ["A_AtimicN", "AA"], "condition_column": ["A_AtimicN"], "answer_column": ["AA"], "condition": {"A_AtimicN": "76"}, "tool": "search_value", "answer": {"AA": "Os"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which element has an atomic number of {}?"}
{"question": "What is the total magnetization of the material with a bandgap of 0.1498999999999997?", "refer_dataset": "table67", "column names": ["bandgap", "total_magnetization"], "condition_column": ["bandgap"], "answer_column": ["total_magnetization"], "condition": {"bandgap": "0.1498999999999997"}, "tool": "search_value", "answer": {"total_magnetization": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total magnetization of the material with a bandgap of {}?"}
{"question": "Find the LUMO energy level (eV) for the compound with species HCOOHH2O.", "refer_dataset": "table46", "column names": ["species", "lumo"], "condition_column": ["species"], "answer_column": ["lumo"], "condition": {"species": "HCOOHH2O"}, "tool": "search_value", "answer": {"lumo": "0.00115"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the LUMO energy level (eV) for the compound with species {}."}
{"question": "What license type applies to the paper authored by Ileana Streinu and Louis Theran and last updated on 2008-12-13?", "refer_dataset": "table45", "column names": ["authors", "update_date", "license"], "condition_column": ["authors", "update_date"], "answer_column": ["license"], "condition": {"authors": "Ileana Streinu and Louis Theran", "update_date": "2008-12-13"}, "tool": "search_value", "answer": {"license": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What license type applies to the paper authored by {} and last updated on {}?"}
{"question": "What is the tertiary cation identifier when the preparation is 7.0 and the contact duration is 3.9?", "refer_dataset": "table20", "column names": ["Preparation", "Contact-times", "Cation3"], "condition_column": ["Preparation", "Contact-times"], "answer_column": ["Cation3"], "condition": {"Preparation": "7.0", "Contact-times": "3.9"}, "tool": "search_value", "answer": {"Cation3": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tertiary cation identifier when the preparation is {} and the contact duration is {}?"}
{"question": "What is the space group number corresponding to the symbol F222?", "refer_dataset": "table47", "column names": ["spg_symbol", "spg_number"], "condition_column": ["spg_symbol"], "answer_column": ["spg_number"], "condition": {"spg_symbol": "F222"}, "tool": "search_value", "answer": {"spg_number": "22"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the space group number corresponding to the symbol {}?"}
{"question": "What is the electronic permittivity (Eps_elec) recorded for the perovskite material Perov-2?", "refer_dataset": "table49", "column names": ["id", "Eps_elec"], "condition_column": ["id"], "answer_column": ["Eps_elec"], "condition": {"id": "Perov-2"}, "tool": "search_value", "answer": {"Eps_elec": "4.19"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic permittivity (Eps_elec) recorded for the perovskite material {}?"}
{"question": "What is the acidic overpotential value for the study documented under DOI 10.1016/j.jpowsour.2018.09.042?", "refer_dataset": "table13", "column names": ["DOI", "Acid_OVP"], "condition_column": ["DOI"], "answer_column": ["Acid_OVP"], "condition": {"DOI": "10.1016/j.jpowsour.2018.09.042"}, "tool": "search_value", "answer": {"Acid_OVP": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the acidic overpotential value for the study documented under DOI {}?"}
{"question": "What is the entry ID of a material with delta_e 0.35674995435345 and band gap 0.0?", "refer_dataset": "table57", "column names": ["_oqmd_delta_e", "_oqmd_band_gap", "_oqmd_entry_id"], "condition_column": ["_oqmd_delta_e", "_oqmd_band_gap"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_delta_e": "0.35674995435345", "_oqmd_band_gap": "0.0"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "472983.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the entry ID of a material with delta_e {} and band gap {}?"}
{"question": "What chemical product is generated by the catalyst labeled Bi/Bi+3 ?", "refer_dataset": "table12", "column names": ["Catalyst label", "Product"], "condition_column": ["Catalyst label"], "answer_column": ["Product"], "condition": {"Catalyst label": "Bi/Bi+3 "}, "tool": "search_value", "answer": {"Product": "CO"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What chemical product is generated by the catalyst labeled {}?"}
{"question": "What is the electronic band gap energy value for the material with database entry ID 472977.0?", "refer_dataset": "table57", "column names": ["_oqmd_entry_id", "_oqmd_band_gap"], "condition_column": ["_oqmd_entry_id"], "answer_column": ["_oqmd_band_gap"], "condition": {"_oqmd_entry_id": "472977.0"}, "tool": "search_value", "answer": {"_oqmd_band_gap": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic band gap energy value for the material with database entry ID {}?"}
{"question": "Determine the Pauling electronegativity of element B (χpb) in materials where I1a = 5.212 kJ/mol and B_Tb = 3300.52 K.", "refer_dataset": "table3", "column names": ["I1a", "B_Tb", "χpb"], "condition_column": ["I1a", "B_Tb"], "answer_column": ["χpb"], "condition": {"I1a": "5.212", "B_Tb": "3300.52"}, "tool": "search_value", "answer": {"χpb": "1.55"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the Pauling electronegativity of element B (χpb) in materials where I1a = {} kJ/mol and B_Tb = {} K."}
{"question": "What is the secondary metal component in the catalyst with code 1-1 that achieved a C2 yield of 1.756316351%?", "refer_dataset": "table21", "column names": ["Code", "C2 yield (%)", "M2"], "condition_column": ["Code", "C2 yield (%)"], "answer_column": ["M2"], "condition": {"Code": "1-1", "C2 yield (%)": "1.756316351"}, "tool": "search_value", "answer": {"M2": "Mo"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary metal component in the catalyst with code {} that achieved a C2 yield of {}%?"}
{"question": "What is the ethylene yield percentage when M1 is 0,3, M2 is Na, and support material is Mn?", "refer_dataset": "table27", "column names": ["C2H4 yield(%)", "M1", "M2", "Support"], "condition_column": ["C2H4 yield(%)", "M1", "M2"], "answer_column": ["Support"], "condition": {"C2H4 yield(%)": "0,3", "M1": "Na", "M2": "Mn"}, "tool": "search_value", "answer": {"Support": "SiO2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ethylene yield percentage when M1 is {}, M2 is {}, and support material is {}?"}
{"question": "What is the ethylene yield percentage when M1 is 6, M2 is Na, and support material is Mn?", "refer_dataset": "table27", "column names": ["C2H4 yield(%)", "M1", "M2", "Support"], "condition_column": ["C2H4 yield(%)", "M1", "M2"], "answer_column": ["Support"], "condition": {"C2H4 yield(%)": "6", "M1": "Na", "M2": "Mn"}, "tool": "search_value", "answer": {"Support": "SiO2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ethylene yield percentage when M1 is {}, M2 is {}, and support material is {}?"}
{"question": "What is the band gap (gap pbe) for a compound with the formula BaTe and formation energy (e_form) of -1.7901681999999997?", "refer_dataset": "table54", "column names": ["formula", "e_form", "gap pbe"], "condition_column": ["formula", "e_form"], "answer_column": ["gap pbe"], "condition": {"formula": "BaTe", "e_form": "-1.7901681999999997"}, "tool": "search_value", "answer": {"gap pbe": "1.5930000000000002"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band gap (gap pbe) for a compound with the formula {} and formation energy (e_form) of {}?"}
{"question": "Identify the tertiary cation molar percentage for preparation number 3.0 with a COₓ selectivity of 78.0.", "refer_dataset": "table20", "column names": ["Preparation", "COx", "Cation3-mol"], "condition_column": ["Preparation", "COx"], "answer_column": ["Cation3-mol"], "condition": {"Preparation": "3.0", "COx": "78.0"}, "tool": "search_value", "answer": {"Cation3-mol": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the tertiary cation molar percentage for preparation number {} with a COₓ selectivity of {}."}
{"question": "What is the electronic dielectric constant (diel_elec) for the material with label 3.13586 and unit cell volume Cd-based_polymer cubic angstroms?", "refer_dataset": "table58", "column names": ["diel_elec", "label", "vol"], "condition_column": ["diel_elec", "label"], "answer_column": ["vol"], "condition": {"diel_elec": "3.13586", "label": "Cd-based_polymer"}, "tool": "search_value", "answer": {"vol": "135.667"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic dielectric constant (diel_elec) for the material with label {} and unit cell volume {} cubic angstroms?"}
{"question": "Identify the atomic energy (atom_en) for the material sourced from -5.61627 with a total dielectric constant of Huan_etal:SciDat(submitted).", "refer_dataset": "table58", "column names": ["atom_en", "src", "diel_tot"], "condition_column": ["atom_en", "src"], "answer_column": ["diel_tot"], "condition": {"atom_en": "-5.61627", "src": "Huan_etal:SciDat(submitted)"}, "tool": "search_value", "answer": {"diel_tot": "5.81611"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the atomic energy (atom_en) for the material sourced from {} with a total dielectric constant of {}."}
{"question": "What magnetic ordering is reported for the compound identified by ICSD_number 28745?", "refer_dataset": "table63", "column names": ["ICSD_number", "Magnetic_ordering"], "condition_column": ["ICSD_number"], "answer_column": ["Magnetic_ordering"], "condition": {"ICSD_number": "28745"}, "tool": "search_value", "answer": {"Magnetic_ordering": "NM"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What magnetic ordering is reported for the compound identified by ICSD_number {}?"}
{"question": "What are the parsed author components for The evolution of the Earth-Moon system based on the dark matter field\n  fluid model?", "refer_dataset": "table45", "column names": ["title", "authors_parsed"], "condition_column": ["title"], "answer_column": ["authors_parsed"], "condition": {"title": "The evolution of the Earth-Moon system based on the dark matter field\n  fluid model"}, "tool": "search_value", "answer": {"authors_parsed": "[['Pan', 'Hongjun', '']]"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What are the parsed author components for {}?"}
{"question": "What is the maximum CO₂ adsorption capacity for the MOF with ID hMOF-3476?", "refer_dataset": "table50", "column names": ["id", "max_co2_adsp"], "condition_column": ["id"], "answer_column": ["max_co2_adsp"], "condition": {"id": "hMOF-3476"}, "tool": "search_value", "answer": {"max_co2_adsp": "2.87034"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the maximum CO₂ adsorption capacity for the MOF with ID {}?"}
{"question": "How many distinct elements are in the material with composition Ba2Cd2Pr4Ni8O24?", "refer_dataset": "table35", "column names": ["Material Composition", "Number of elements"], "condition_column": ["Material Composition"], "answer_column": ["Number of elements"], "condition": {"Material Composition": "Ba2Cd2Pr4Ni8O24"}, "tool": "search_value", "answer": {"Number of elements": "5"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many distinct elements are in the material with composition {}?"}
{"question": "If Fe is 0.0 and J.uAcm2_0.63_secondCA is 3787.81, what is the Mg concentration?", "refer_dataset": "table16", "column names": ["Fe", "J.uAcm2_0.63_secondCA", "Mg"], "condition_column": ["Fe", "J.uAcm2_0.63_secondCA"], "answer_column": ["Mg"], "condition": {"Fe": "0.0", "J.uAcm2_0.63_secondCA": "3787.81"}, "tool": "search_value", "answer": {"Mg": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If Fe is {} and J.uAcm2_0.63_secondCA is {}, what is the Mg concentration?"}
{"question": "What is the power (W) for the dataset labeled as reference [S24]?", "refer_dataset": "table4", "column names": ["Ref", "Power(W)"], "condition_column": ["Ref"], "answer_column": ["Power(W)"], "condition": {"Ref": "[S24]"}, "tool": "search_value", "answer": {"Power(W)": "125.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the power (W) for the dataset labeled as reference {}?"}
{"question": "Report the job identifier for the bulk formula Sm with defect energy -69.46942614.", "refer_dataset": "table68", "column names": ["bulk_formula", "defective_energy", "jid"], "condition_column": ["bulk_formula", "defective_energy"], "answer_column": ["jid"], "condition": {"bulk_formula": "Sm", "defective_energy": "-69.46942614"}, "tool": "search_value", "answer": {"jid": "JVASP-14812"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the job identifier for the bulk formula {} with defect energy {}."}
{"question": "If a molecule has an internal energy at 0 K (U0) of 6.47824427875756 and a molecular structure O, what is its heat capacity at constant volume (Cv)?", "refer_dataset": "table61", "column names": ["U0", "SMILES", "Cv"], "condition_column": ["U0", "SMILES"], "answer_column": ["Cv"], "condition": {"U0": "6.47824427875756", "SMILES": "O"}, "tool": "search_value", "answer": {"Cv": "-6.29834488537368"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If a molecule has an internal energy at 0 K (U0) of {} and a molecular structure {}, what is its heat capacity at constant volume (Cv)?"}
{"question": "Identify the Log_fom value for a material with a PBE mixing energy of 0.0 eV and an HSE decomposition energy of 1.56 eV.", "refer_dataset": "table49", "column names": ["PBE_mix_energy", "HSE_decomp_energy", "Log_fom"], "condition_column": ["PBE_mix_energy", "HSE_decomp_energy"], "answer_column": ["Log_fom"], "condition": {"PBE_mix_energy": "0.0", "HSE_decomp_energy": "1.56"}, "tool": "search_value", "answer": {"Log_fom": "5.37"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the Log_fom value for a material with a PBE mixing energy of {} eV and an HSE decomposition energy of {} eV."}
{"question": "What is the OptB88vdW bandgap of the material with job ID JVASP-14014 and Poisson ratio of na?", "refer_dataset": "table47", "column names": ["jid", "poisson", "optb88vdw_bandgap"], "condition_column": ["jid", "poisson"], "answer_column": ["optb88vdw_bandgap"], "condition": {"jid": "JVASP-14014", "poisson": "na"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the OptB88vdW bandgap of the material with job ID {} and Poisson ratio of {}?"}
{"question": "Report the Tc for the material identified by 1721.", "refer_dataset": "table65", "column names": ["id", "Tc"], "condition_column": ["id"], "answer_column": ["Tc"], "condition": {"id": "1721"}, "tool": "search_value", "answer": {"Tc": "5.27"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the Tc for the material identified by {}."}
{"question": "Which organic compound required a light intensity of 0.176 mW/cm² and pH 3.6 to achieve -log(k) 0.5616?", "refer_dataset": "table9", "column names": ["I, mW/cm2", "pH", "-log(k), min-1", "OC"], "condition_column": ["I, mW/cm2", "pH", "-log(k), min-1"], "answer_column": ["OC"], "condition": {"I, mW/cm2": "0.176", "pH": "3.6", "-log(k), min-1": "0.5616"}, "tool": "search_value", "answer": {"OC": "Nitrobenzene"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which organic compound required a light intensity of {} mW/cm² and pH {} to achieve -log(k) {}?"}
{"question": "What is the RH2 value for a photocatalyst synthesized via 63.0 at Solid state reaction K with a light intensity of 1423.0 W?", "refer_dataset": "table1", "column names": ["RH2(µmol h-1 g-1)", "Preparation method", "Calcination temperature(K)", "Light intensity(W)"], "condition_column": ["RH2(µmol h-1 g-1)", "Preparation method", "Calcination temperature(K)"], "answer_column": ["Light intensity(W)"], "condition": {"RH2(µmol h-1 g-1)": "63.0", "Preparation method": "Solid state reaction", "Calcination temperature(K)": "1423.0"}, "tool": "search_value", "answer": {"Light intensity(W)": "Xe lamp(300W),simulated sunlight"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the RH2 value for a photocatalyst synthesized via {} at {} K with a light intensity of {} W?"}
{"question": "What is the lattice parameter a for the COD CIF file 1000037?", "refer_dataset": "table38", "column names": ["file", "a"], "condition_column": ["file"], "answer_column": ["a"], "condition": {"file": "1000037"}, "tool": "search_value", "answer": {"a": "8.884"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the lattice parameter a for the COD CIF file {}?"}
{"question": "Which elastic tensor is recorded for the material with job ID JVASP-27901?", "refer_dataset": "table48", "column names": ["jid", "elastic_tensor"], "condition_column": ["jid"], "answer_column": ["elastic_tensor"], "condition": {"jid": "JVASP-27901"}, "tool": "search_value", "answer": {"elastic_tensor": "[[96.5, 30.9, 0.4, -0.0, -0.1, 0.0], [30.9, 96.5, 0.4, 0.0, 0.1, -0.0], [1.1, 1.1, 1.8, -0.0, -0.0, 0.0], [-0.0, 0.0, -0.0, 12.7, 0.0, -0.1], [-0.4, 0.4, -0.0, 0.0, 0.4, -0.0], [0.0, -0.0, 0.0, -0.1, -0.0, 0.4]]"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which elastic tensor is recorded for the material with job ID {}?"}
{"question": "Given the sample ID 8, what is its statistical correlation coefficient (R²)?", "refer_dataset": "table61", "column names": ["id", "R2"], "condition_column": ["id"], "answer_column": ["R2"], "condition": {"id": "8"}, "tool": "search_value", "answer": {"R2": "-3.94197228761989"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given the sample ID {}, what is its statistical correlation coefficient (R²)?"}
{"question": "Find the energy per atom of the material with the source identifier mp-2089.", "refer_dataset": "table67", "column names": ["source_id", "energy_per_atom"], "condition_column": ["source_id"], "answer_column": ["energy_per_atom"], "condition": {"source_id": "mp-2089"}, "tool": "search_value", "answer": {"energy_per_atom": "-5.40893083875"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the energy per atom of the material with the source identifier {}."}
{"question": "What is the acidic overpotential value for the study documented under DOI 10.1039/c7nr00460e?", "refer_dataset": "table13", "column names": ["DOI", "Acid_OVP"], "condition_column": ["DOI"], "answer_column": ["Acid_OVP"], "condition": {"DOI": "10.1039/c7nr00460e"}, "tool": "search_value", "answer": {"Acid_OVP": "70.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the acidic overpotential value for the study documented under DOI {}?"}
{"question": "What is the formation energy of the material with bulk formula Ba?", "refer_dataset": "table68", "column names": ["bulk_formula", "ef"], "condition_column": ["bulk_formula"], "answer_column": ["ef"], "condition": {"bulk_formula": "Ba"}, "tool": "search_value", "answer": {"ef": "1.19343"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy of the material with bulk formula {}?"}
{"question": "For the compound with chemical formula H2OH2CO and formation enthalpy at 298K of na kJ/mol, what is the Job Identifier?", "refer_dataset": "table46", "column names": ["species", "enthalpy_formation_298K", "jid"], "condition_column": ["species", "enthalpy_formation_298K"], "answer_column": ["jid"], "condition": {"species": "H2OH2CO", "enthalpy_formation_298K": "na"}, "tool": "search_value", "answer": {"jid": "cc-2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the compound with chemical formula {} and formation enthalpy at 298K of {} kJ/mol, what is the Job Identifier?"}
{"question": "Which material type classification corresponds to the bulk formula Ru and chemical potential value -5.9912305?", "refer_dataset": "table68", "column names": ["bulk_formula", "chem_pot", "material_type"], "condition_column": ["bulk_formula", "chem_pot"], "answer_column": ["material_type"], "condition": {"bulk_formula": "Ru", "chem_pot": "-5.9912305"}, "tool": "search_value", "answer": {"material_type": "3D"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which material type classification corresponds to the bulk formula {} and chemical potential value {}?"}
{"question": "What Metal 3 component (M3) is used at 20.0 mL/min total flow, 850.0℃, and 27.1% methane conversion?", "refer_dataset": "table23", "column names": ["Total flow (mL/min)", "Temp. (℃)", "CH4 conversion (%)", "M3"], "condition_column": ["Total flow (mL/min)", "Temp. (℃)", "CH4 conversion (%)"], "answer_column": ["M3"], "condition": {"Total flow (mL/min)": "20.0", "Temp. (℃)": "850.0", "CH4 conversion (%)": "27.1"}, "tool": "search_value", "answer": {"M3": "none"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What Metal 3 component (M3) is used at {} mL/min total flow, {}℃, and {}% methane conversion?"}
{"question": "What is the ID of the material containing formula AsO4Sc and having formula_energy -2.47536769923?", "refer_dataset": "table64", "column names": ["formula", "formula_energy", "id"], "condition_column": ["formula", "formula_energy"], "answer_column": ["id"], "condition": {"formula": "AsO4Sc", "formula_energy": "-2.47536769923"}, "tool": "search_value", "answer": {"id": "1917"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ID of the material containing formula {} and having formula_energy {}?"}
{"question": "Calculate the melting temperature of element A (A_Tm) for materials with Ra = 104.87 Å and density (ρa) = 5.76 g/cm³.", "refer_dataset": "table3", "column names": ["Ra", "ρa", "A_Tm"], "condition_column": ["Ra", "ρa"], "answer_column": ["A_Tm"], "condition": {"Ra": "104.87", "ρa": "5.76"}, "tool": "search_value", "answer": {"A_Tm": "902.14"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the melting temperature of element A (A_Tm) for materials with Ra = {} Å and density (ρa) = {} g/cm³."}
{"question": "What is the RH2 value for a photocatalyst synthesized via 309.3 at Flux-growth K with a light intensity of 1273.0 W?", "refer_dataset": "table1", "column names": ["RH2(µmol h-1 g-1)", "Preparation method", "Calcination temperature(K)", "Light intensity(W)"], "condition_column": ["RH2(µmol h-1 g-1)", "Preparation method", "Calcination temperature(K)"], "answer_column": ["Light intensity(W)"], "condition": {"RH2(µmol h-1 g-1)": "309.3", "Preparation method": "Flux-growth", "Calcination temperature(K)": "1273.0"}, "tool": "search_value", "answer": {"Light intensity(W)": "Xe lamp (300 W), λ > 420 nm"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the RH2 value for a photocatalyst synthesized via {} at {} K with a light intensity of {} W?"}
{"question": "What oxygen partial pressure is used at a reaction temperature of 840.0?", "refer_dataset": "table20", "column names": ["Temperature", "O2-pressure"], "condition_column": ["Temperature"], "answer_column": ["O2-pressure"], "condition": {"Temperature": "840.0"}, "tool": "search_value", "answer": {"O2-pressure": "0.07"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What oxygen partial pressure is used at a reaction temperature of {}?"}
{"question": "Determine the refractive index (Ref_ind) of a perovskite with a PBE decomposition energy of -0.15 eV and a Log_fom of 5.47.", "refer_dataset": "table49", "column names": ["PBE_decomp_energy", "Log_fom", "Ref_ind"], "condition_column": ["PBE_decomp_energy", "Log_fom"], "answer_column": ["Ref_ind"], "condition": {"PBE_decomp_energy": "-0.15", "Log_fom": "5.47"}, "tool": "search_value", "answer": {"Ref_ind": "2.52"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the refractive index (Ref_ind) of a perovskite with a PBE decomposition energy of {} eV and a Log_fom of {}."}
{"question": "Identify the decomposition phases for the material with formula Ac and energy above hull of 0.0 eV.", "refer_dataset": "table44", "column names": ["formula", "e_above_hull", "decomposition"], "condition_column": ["formula", "e_above_hull"], "answer_column": ["decomposition"], "condition": {"formula": "Ac", "e_above_hull": "0.0"}, "tool": "search_value", "answer": {"decomposition": " Ac "}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the decomposition phases for the material with formula {} and energy above hull of {} eV."}
{"question": "What are the elastic properties of the material composed of ['B', 'N', 'O'] with a density of 2.488890724387206?", "refer_dataset": "table55", "column names": ["elements", "density", "elasticity"], "condition_column": ["elements", "density"], "answer_column": ["elasticity"], "condition": {"elements": "['B', 'N', 'O']", "density": "2.488890724387206"}, "tool": "search_value", "answer": {"elasticity": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What are the elastic properties of the material composed of {} with a density of {}?"}
{"question": "Given a valence band maximum (VBM) of 4.3247 and a band alignment offset of -0.18972361881771116, determine the total optimized energy.", "refer_dataset": "table52", "column names": ["optb88vdw_vbm", "offset", "final_energy"], "condition_column": ["optb88vdw_vbm", "offset"], "answer_column": ["final_energy"], "condition": {"optb88vdw_vbm": "4.3247", "offset": "-0.18972361881771116"}, "tool": "search_value", "answer": {"final_energy": "-129.68437497"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a valence band maximum (VBM) of {} and a band alignment offset of {}, determine the total optimized energy."}
{"question": "What axial distortion value is reported for the compound [Pc2Dy]TBA in the LnPc2 chemical family?", "refer_dataset": "table34", "column names": ["compound", "chemical_family", "axial_distortion"], "condition_column": ["compound", "chemical_family"], "answer_column": ["axial_distortion"], "condition": {"compound": "[Pc2Dy]TBA", "chemical_family": "LnPc2"}, "tool": "search_value", "answer": {"axial_distortion": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What axial distortion value is reported for the compound {} in the {} chemical family?"}
{"question": "Find the photocatalytic spillage metric for the material with job ID JVASP-76525 and magnetic moment 0.0?", "refer_dataset": "table48", "column names": ["jid", "magmom_oszicar", "spillage"], "condition_column": ["jid", "magmom_oszicar"], "answer_column": ["spillage"], "condition": {"jid": "JVASP-76525", "magmom_oszicar": "0.0"}, "tool": "search_value", "answer": {"spillage": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the photocatalytic spillage metric for the material with job ID {} and magnetic moment {}?"}
{"question": "Determine the tertiary metal’s presence (M3) when the primary metal is W, argon partial pressure (Par) is 0.9, and data source type is Literature.", "refer_dataset": "table28", "column names": ["M1", "Par", "Type", "M3"], "condition_column": ["M1", "Par", "Type"], "answer_column": ["M3"], "condition": {"M1": "W", "Par": "0.9", "Type": "Literature"}, "tool": "search_value", "answer": {"M3": "none"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the tertiary metal’s presence (M3) when the primary metal is {}, argon partial pressure (Par) is {}, and data source type is {}."}
{"question": "Which surfactant type is used with a solvent volume percentage of 14.0%?", "refer_dataset": "table42", "column names": ["Solvent, % vol.", "Surfactant type"], "condition_column": ["Solvent, % vol."], "answer_column": ["Surfactant type"], "condition": {"Solvent, % vol.": "14.0"}, "tool": "search_value", "answer": {"Surfactant type": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which surfactant type is used with a solvent volume percentage of {}%?"}
{"question": "Find the total magnetization for the material where the exfoliation energy per atom is 0.12851741000000017 and the bandgap is 0.2086000000000005?", "refer_dataset": "table67", "column names": ["exfoliation_energy_per_atom", "bandgap", "total_magnetization"], "condition_column": ["exfoliation_energy_per_atom", "bandgap"], "answer_column": ["total_magnetization"], "condition": {"exfoliation_energy_per_atom": "0.12851741000000017", "bandgap": "0.2086000000000005"}, "tool": "search_value", "answer": {"total_magnetization": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the total magnetization for the material where the exfoliation energy per atom is {} and the bandgap is {}?"}
{"question": "What is the specific magnetic moment (A m²/kg) for sentence 138 in composition Pr_58Fe_24Al_18) under a magnetic flux density of 358.0 mT?", "refer_dataset": "table32", "column names": ["sentence", "composition", "mT", "A m^2/kg"], "condition_column": ["sentence", "composition", "mT"], "answer_column": ["A m^2/kg"], "condition": {"sentence": "138", "composition": "Pr_58Fe_24Al_18)", "mT": "358.0"}, "tool": "search_value", "answer": {"A m^2/kg": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the specific magnetic moment (A m²/kg) for sentence {} in composition {} under a magnetic flux density of {} mT?"}
{"question": "Given a Goldschmidt TF ionic contribution of 0.832210288627, what is the thermal octahedral_factor_ionic ratio?", "refer_dataset": "table37", "column names": ["goldschmidt_TF_ionic", "octahedral_factor_ionic"], "condition_column": ["goldschmidt_TF_ionic"], "answer_column": ["octahedral_factor_ionic"], "condition": {"goldschmidt_TF_ionic": "0.832210288627"}, "tool": "search_value", "answer": {"octahedral_factor_ionic": "0.392857142857"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a Goldschmidt TF ionic contribution of {}, what is the thermal octahedral_factor_ionic ratio?"}
{"question": "Identify the tertiary cation molar percentage for preparation number 1.0 with a COₓ selectivity of 53.8.", "refer_dataset": "table20", "column names": ["Preparation", "COx", "Cation3-mol"], "condition_column": ["Preparation", "COx"], "answer_column": ["Cation3-mol"], "condition": {"Preparation": "1.0", "COx": "53.8"}, "tool": "search_value", "answer": {"Cation3-mol": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the tertiary cation molar percentage for preparation number {} with a COₓ selectivity of {}."}
{"question": "Which Metal 2 component (M2) is paired with Temp 900.0℃ and Support MgO to achieve 8.8% C₂ selectivity?", "refer_dataset": "table23", "column names": ["Temp. (℃)", "Support", "C2 selectivity (%)", "M2"], "condition_column": ["Temp. (℃)", "Support", "C2 selectivity (%)"], "answer_column": ["M2"], "condition": {"Temp. (℃)": "900.0", "Support": "MgO", "C2 selectivity (%)": "8.8"}, "tool": "search_value", "answer": {"M2": "Fe"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which Metal 2 component (M2) is paired with Temp {}℃ and Support {} to achieve {}% C₂ selectivity?"}
{"question": "Which primary element B is present in compounds with a molar ratio of A as 0.322?", "refer_dataset": "table4", "column names": ["A mole", "B"], "condition_column": ["A mole"], "answer_column": ["B"], "condition": {"A mole": "0.322"}, "tool": "search_value", "answer": {"B": "In"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which primary element B is present in compounds with a molar ratio of A as {}?"}
{"question": "What is the density of element B (ρb) for materials with RH2 = 554.7 µmol h-1 g-1 and molar mass (M) = 238.31 g/mol?", "refer_dataset": "table3", "column names": ["RH2(µmol h-1 g-1)", "M", "ρb"], "condition_column": ["RH2(µmol h-1 g-1)", "M"], "answer_column": ["ρb"], "condition": {"RH2(µmol h-1 g-1)": "554.7", "M": "238.31"}, "tool": "search_value", "answer": {"ρb": "7.62"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the density of element B (ρb) for materials with RH2 = {} µmol h-1 g-1 and molar mass (M) = {} g/mol?"}
{"question": "What is the energy after DFT corrections for the material located at extra/batch-3000/Ac/Ac/xxx_02a-00_agm004141649_spg227?", "refer_dataset": "table44", "column names": ["location", "energy_corrected"], "condition_column": ["location"], "answer_column": ["energy_corrected"], "condition": {"location": "extra/batch-3000/Ac/Ac/xxx_02a-00_agm004141649_spg227"}, "tool": "search_value", "answer": {"energy_corrected": "-4.9456143"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy after DFT corrections for the material located at {}?"}
{"question": "Identify the antibiotic dosage (mg/L) used for surface area 180.41 m²/g, pore volume 0.32 cm³/g, and degradation efficiency 61.0%.", "refer_dataset": "table6", "column names": ["Surface area (m2/g)", "Pore Volume (cm3/g)", "Degradation efficiency (%)", "Antibiotic dosage (mg/L)"], "condition_column": ["Surface area (m2/g)", "Pore Volume (cm3/g)", "Degradation efficiency (%)"], "answer_column": ["Antibiotic dosage (mg/L)"], "condition": {"Surface area (m2/g)": "180.41", "Pore Volume (cm3/g)": "0.32", "Degradation efficiency (%)": "61.0"}, "tool": "search_value", "answer": {"Antibiotic dosage (mg/L)": "50"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the antibiotic dosage (mg/L) used for surface area {} m²/g, pore volume {} cm³/g, and degradation efficiency {}%."}
{"question": "Determine the formation energy (e_form) for the material with stability (e_hull) 0.019272106249998 and magnetic moment (mu_b) 0.0.", "refer_dataset": "table54", "column names": ["e_hull", "mu_b", "e_form"], "condition_column": ["e_hull", "mu_b"], "answer_column": ["e_form"], "condition": {"e_hull": "0.019272106249998", "mu_b": "0.0"}, "tool": "search_value", "answer": {"e_form": "-0.3431781066666677"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the formation energy (e_form) for the material with stability (e_hull) {} and magnetic moment (mu_b) {}."}
{"question": "Determine the calcination temperature (CT) required for the molecular formula ZnTiO3 to achieve a specific surface area of 1.05 m²/g.", "refer_dataset": "table11", "column names": ["Molecular formulas", "SSA (m2 g -1 )", "CT (℃)"], "condition_column": ["Molecular formulas", "SSA (m2 g -1 )"], "answer_column": ["CT (℃)"], "condition": {"Molecular formulas": "ZnTiO3", "SSA (m2 g -1 )": "1.05"}, "tool": "search_value", "answer": {"CT (℃)": "900"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the calcination temperature (CT) required for the molecular formula {} to achieve a specific surface area of {} m²/g."}
{"question": "What is the statistical correlation coefficient (R²) for a molecule with SMILES_relaxed structure O and a dipole moment (mu) of -0.54667200640302?", "refer_dataset": "table61", "column names": ["SMILES_relaxed", "mu", "R2"], "condition_column": ["SMILES_relaxed", "mu"], "answer_column": ["R2"], "condition": {"SMILES_relaxed": "O", "mu": "-0.54667200640302"}, "tool": "search_value", "answer": {"R2": "-4.17298880451383"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the statistical correlation coefficient (R²) for a molecule with SMILES_relaxed structure {} and a dipole moment (mu) of {}?"}
{"question": "What is the largest cavity diameter for an MOF with maximum CO₂ adsorption capacity of 7.99082?", "refer_dataset": "table50", "column names": ["max_co2_adsp", "lcd"], "condition_column": ["max_co2_adsp"], "answer_column": ["lcd"], "condition": {"max_co2_adsp": "7.99082"}, "tool": "search_value", "answer": {"lcd": "5.25"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the largest cavity diameter for an MOF with maximum CO₂ adsorption capacity of {}?"}
{"question": "Find the number of atoms in the unit cell for materials with space group symbol Pcca?", "refer_dataset": "table48", "column names": ["spg_symbol", "nat"], "condition_column": ["spg_symbol"], "answer_column": ["nat"], "condition": {"spg_symbol": "Pcca"}, "tool": "search_value", "answer": {"nat": "16"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the number of atoms in the unit cell for materials with space group symbol {}?"}
{"question": "What is the light intensity (mW/cm²) used for the organic compound beta-blocker atenolol?", "refer_dataset": "table9", "column names": ["OC", "I, mW/cm2"], "condition_column": ["OC"], "answer_column": ["I, mW/cm2"], "condition": {"OC": "beta-blocker atenolol"}, "tool": "search_value", "answer": {"I, mW/cm2": "3.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the light intensity (mW/cm²) used for the organic compound {}?"}
{"question": "What is the hydrogen production rate (RH2) for the photocatalyst with molecular formula Sr0.9Bi0.1Ti0.9Fe0.1O3?", "refer_dataset": "table1", "column names": ["Molecular formula", "RH2(µmol h-1 g-1)"], "condition_column": ["Molecular formula"], "answer_column": ["RH2(µmol h-1 g-1)"], "condition": {"Molecular formula": "Sr0.9Bi0.1Ti0.9Fe0.1O3"}, "tool": "search_value", "answer": {"RH2(µmol h-1 g-1)": "47.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the hydrogen production rate (RH2) for the photocatalyst with molecular formula {}?"}
{"question": "Which primary anion X is present in materials with a surface area of 49.26 m²/g?", "refer_dataset": "table4", "column names": ["Surface Area(m2/g)", "X"], "condition_column": ["Surface Area(m2/g)"], "answer_column": ["X"], "condition": {"Surface Area(m2/g)": "49.26"}, "tool": "search_value", "answer": {"X": "S"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which primary anion X is present in materials with a surface area of {} m²/g?"}
{"question": "At what temperature in Celsius (°C) is the magnetization 300.0 emu/cm³ observed?", "refer_dataset": "table32", "column names": ["emu/cm^3", "°C"], "condition_column": ["emu/cm^3"], "answer_column": ["°C"], "condition": {"emu/cm^3": "300.0"}, "tool": "search_value", "answer": {"°C": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what temperature in Celsius (°C) is the magnetization {} emu/cm³ observed?"}
{"question": "What is the standard deviation of inertial shape factor (inertial_shape_factor_std_0) for SMILES BrCCCCBr?", "refer_dataset": "table41", "column names": ["osda smiles", "inertial_shape_factor_std_0"], "condition_column": ["osda smiles"], "answer_column": ["inertial_shape_factor_std_0"], "condition": {"osda smiles": "BrCCCCBr"}, "tool": "search_value", "answer": {"inertial_shape_factor_std_0": "0.007597646"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the standard deviation of inertial shape factor (inertial_shape_factor_std_0) for SMILES {}?"}
{"question": "For experiments using UiO-66-Cr CAT as the photocatalyst, MOF Type FUNC, and phase Liquid, what is the total product yield (mmol/g)?", "refer_dataset": "table7", "column names": ["Photocatalyst(s)", "MOF_Type", "Phase", "total"], "condition_column": ["Photocatalyst(s)", "MOF_Type", "Phase"], "answer_column": ["total"], "condition": {"Photocatalyst(s)": "UiO-66-Cr CAT", "MOF_Type": "FUNC", "Phase": "Liquid"}, "tool": "search_value", "answer": {"total": "1724.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For experiments using {} as the photocatalyst, MOF Type {}, and phase {}, what is the total product yield (mmol/g)?"}
{"question": "Which organic compound has an initial concentration of 0.43 mg/L under pH 7.7 and temperature 23°C?", "refer_dataset": "table9", "column names": ["C0, mg/L", "pH", "T, oC", "OC"], "condition_column": ["C0, mg/L", "pH", "T, oC"], "answer_column": ["OC"], "condition": {"C0, mg/L": "0.43", "pH": "7.7", "T, oC": "23"}, "tool": "search_value", "answer": {"OC": "2-Chlorobiphenyl"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which organic compound has an initial concentration of {} mg/L under pH {} and temperature {}°C?"}
{"question": "Which calcium ion concentration correlates with a synthesis time of 8 min 40 sec minutes?", "refer_dataset": "table42", "column names": ["Synthesis time", "Ca ion, mM"], "condition_column": ["Synthesis time"], "answer_column": ["Ca ion, mM"], "condition": {"Synthesis time": "8 min 40 sec"}, "tool": "search_value", "answer": {"Ca ion, mM": "179"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which calcium ion concentration correlates with a synthesis time of {} minutes?"}
{"question": "What is the unique identifier for the material composed of Bi1Pb1Sr2Y0.4Ca0.6Cu2O8 and exhibiting a Tc of 79.5?", "refer_dataset": "table65", "column names": ["formula", "Tc", "id"], "condition_column": ["formula", "Tc"], "answer_column": ["id"], "condition": {"formula": "Bi1Pb1Sr2Y0.4Ca0.6Cu2O8", "Tc": "79.5"}, "tool": "search_value", "answer": {"id": "8629"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unique identifier for the material composed of {} and exhibiting a Tc of {}?"}
{"question": "Report the X site element for a material where the primary A site is Ba, tertiary A site is Pr, and formation energy is -1.37296125271 eV/atom.", "refer_dataset": "table35", "column names": ["A site #1", "A site #3", "formation_energy (eV/atom)", "X site"], "condition_column": ["A site #1", "A site #3", "formation_energy (eV/atom)"], "answer_column": ["X site"], "condition": {"A site #1": "Ba", "A site #3": "Pr", "formation_energy (eV/atom)": "-1.37296125271"}, "tool": "search_value", "answer": {"X site": "O"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the X site element for a material where the primary A site is {}, tertiary A site is {}, and formation energy is {} eV/atom."}
{"question": "What surface energy values are measured for the material Ti3O5?", "refer_dataset": "table53", "column names": ["formula", "surf_dat"], "condition_column": ["formula"], "answer_column": ["surf_dat"], "condition": {"formula": "Ti3O5"}, "tool": "search_value", "answer": {"surf_dat": "na"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What surface energy values are measured for the material {}?"}
{"question": "What is the nanostructuring status (0=no, 1=yes) of a Carbon Monoxide Dehydrogenase from Carboxydothermus hydrogenoformans catalyst published in 2007.0 with Coulombic efficiency above 100.0%?", "refer_dataset": "table12", "column names": ["Catalyst label", "Year", "C.E. %", "Nanostructuring"], "condition_column": ["Catalyst label", "Year", "C.E. %"], "answer_column": ["Nanostructuring"], "condition": {"Catalyst label": "Carbon Monoxide Dehydrogenase from Carboxydothermus hydrogenoformans", "Year": "2007.0", "C.E. %": "100.0"}, "tool": "search_value", "answer": {"Nanostructuring": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the nanostructuring status (0=no, 1=yes) of a {} catalyst published in {} with Coulombic efficiency above {}%?"}
{"question": "Report the exfoliation energy per atom of the material where the total magnetization is -0.0 and the bandgap is 0.9814000000000004.", "refer_dataset": "table67", "column names": ["total_magnetization", "bandgap", "exfoliation_energy_per_atom"], "condition_column": ["total_magnetization", "bandgap"], "answer_column": ["exfoliation_energy_per_atom"], "condition": {"total_magnetization": "-0.0", "bandgap": "0.9814000000000004"}, "tool": "search_value", "answer": {"exfoliation_energy_per_atom": "0.09579424083333343"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the exfoliation energy per atom of the material where the total magnetization is {} and the bandgap is {}."}
{"question": "What is the pore limiting diameter of an MOF with a void fraction of 0.67373?", "refer_dataset": "table50", "column names": ["void_fraction", "pld"], "condition_column": ["void_fraction"], "answer_column": ["pld"], "condition": {"void_fraction": "0.67373"}, "tool": "search_value", "answer": {"pld": "10.25"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the pore limiting diameter of an MOF with a void fraction of {}?"}
{"question": "What is the surface energy (surf_en) of the material with the chemical formula BaGaSb?", "refer_dataset": "table66", "column names": ["formula", "surf_en"], "condition_column": ["formula"], "answer_column": ["surf_en"], "condition": {"formula": "BaGaSb"}, "tool": "search_value", "answer": {"surf_en": "-0.6812256643469425"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the surface energy (surf_en) of the material with the chemical formula {}?"}
{"question": "Identify the perovskite with a similarity score of SrFeO3.", "refer_dataset": "table14", "column names": ["Perovskite", "similarity"], "condition_column": ["Perovskite"], "answer_column": ["similarity"], "condition": {"Perovskite": "SrFeO3"}, "tool": "search_value", "answer": {"similarity": "0.288779"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the perovskite with a similarity score of {}."}
{"question": "What is the final energy (final_energy) for surface structure Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP when composed of material BeTe and having a Fermi energy level of -2.48784608?", "refer_dataset": "table66", "column names": ["name", "formula", "efermi", "final_energy"], "condition_column": ["name", "formula", "efermi"], "answer_column": ["final_energy"], "condition": {"name": "Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "BeTe", "efermi": "-2.48784608"}, "tool": "search_value", "answer": {"final_energy": "-47.90233721"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the final energy (final_energy) for surface structure {} when composed of material {} and having a Fermi energy level of {}?"}
{"question": "Determine the final simulation energy for the surface structure named Surface-JVASP-66053_miller_1_1_0_thickness_16_VASP_PBE_noDP.", "refer_dataset": "table66", "column names": ["name", "final_energy"], "condition_column": ["name"], "answer_column": ["final_energy"], "condition": {"name": "Surface-JVASP-66053_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"final_energy": "-31.83063842"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the final simulation energy for the surface structure named {}."}
{"question": "Is the lanthanide ion in compound [Pc2Tb]TBA:[Pc2Y]TBA = 1/4 classified as a Kramers ion?", "refer_dataset": "table34", "column names": ["compound", "Ln_Kramers"], "condition_column": ["compound"], "answer_column": ["Ln_Kramers"], "condition": {"compound": "[Pc2Tb]TBA:[Pc2Y]TBA = 1/4"}, "tool": "search_value", "answer": {"Ln_Kramers": "Non-Kramers"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Is the lanthanide ion in compound {} classified as a Kramers ion?"}
{"question": "What is the formation energy (e_form) of the compound with ID mp-10004?", "refer_dataset": "table54", "column names": ["id", "e_form"], "condition_column": ["id"], "answer_column": ["e_form"], "condition": {"id": "mp-10004"}, "tool": "search_value", "answer": {"e_form": "-0.3393416995238088"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy (e_form) of the compound with ID {}?"}
{"question": "Which space group does the material with Materials Project ID mp-1175065 belong to?", "refer_dataset": "table55", "column names": ["material_id", "spacegroup"], "condition_column": ["material_id"], "answer_column": ["spacegroup"], "condition": {"material_id": "mp-1175065"}, "tool": "search_value", "answer": {"spacegroup": "{'symprec': 0.1, 'source': 'spglib', 'symbol': 'P1', 'number': 1, 'point_group': '1', 'crystal_system': 'triclinic', 'hall': 'P 1'}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which space group does the material with Materials Project ID {} belong to?"}
{"question": "What is the unique entry ID for the material with bulk energy 5.1992 and formation energy 1.19343?", "refer_dataset": "table68", "column names": ["bulk_energy", "ef", "id"], "condition_column": ["bulk_energy", "ef"], "answer_column": ["id"], "condition": {"bulk_energy": "5.1992", "ef": "1.19343"}, "tool": "search_value", "answer": {"id": "JVASP-14604_Ba_a"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unique entry ID for the material with bulk energy {} and formation energy {}?"}
{"question": "What is the elastic tensor for a material with space group symbol P4/nmm and elemental search tags -As-Cu-Si-Ti?", "refer_dataset": "table47", "column names": ["spg_symbol", "search", "elastic_tensor"], "condition_column": ["spg_symbol", "search"], "answer_column": ["elastic_tensor"], "condition": {"spg_symbol": "P4/nmm", "search": "-As-Cu-Si-Ti"}, "tool": "search_value", "answer": {"elastic_tensor": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the elastic tensor for a material with space group symbol {} and elemental search tags {}?"}
{"question": "What is the ID of the superconducting material with formula Nb1Re3 and Tc 5.27?", "refer_dataset": "table65", "column names": ["formula", "Tc", "id"], "condition_column": ["formula", "Tc"], "answer_column": ["id"], "condition": {"formula": "Nb1Re3", "Tc": "5.27"}, "tool": "search_value", "answer": {"id": "1721"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ID of the superconducting material with formula {} and Tc {}?"}
{"question": "Calculate the ethylene yield for a catalyst with M4 element none, support BaO, and CO yield 0.5%?", "refer_dataset": "table26", "column names": ["M4", "Support", "CO yield (%)", "C2H4 yield (%)"], "condition_column": ["M4", "Support", "CO yield (%)"], "answer_column": ["C2H4 yield (%)"], "condition": {"M4": "none", "Support": "BaO", "CO yield (%)": "0.5"}, "tool": "search_value", "answer": {"C2H4 yield (%)": "1.3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the ethylene yield for a catalyst with M4 element {}, support {}, and CO yield {}%?"}
{"question": "What is the main product of the reaction type methanation when using the catalyst 6%NiPt(99:1)/Al2O3?", "refer_dataset": "table30", "column names": ["ReactionType", "Catalyst", "Mainproduct"], "condition_column": ["ReactionType", "Catalyst"], "answer_column": ["Mainproduct"], "condition": {"ReactionType": "methanation", "Catalyst": "6%NiPt(99:1)/Al2O3"}, "tool": "search_value", "answer": {"Mainproduct": "CH4"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the main product of the reaction type {} when using the catalyst {}?"}
{"question": "Which material ID corresponds to a compound with stress tensor [[1.0477145, -0.0011503, 0.00031971], [-0.00115036, 1.0501072, -0.00353435], [0.00031971, -0.00353419, 1.0485927]] and atoms structure {'lattice_mat': [[7.64557408, 0.0, -2.48834047], [-1.28237756, 9.95473208, -3.94017936], [0.27247911, 0.29233583, 13.82711863]], 'coords': [[0.61415686, 0.94772629, 0.76691603], [0.15275917, 0.94772629, 0.76691603], [0.38584314000000003, 0.05227371, 0.23308397], [0.8472408300000001, 0.05227371, 0.23308397], [0.59848997, 0.53478642, 0.70596353], [0.10747356, 0.53478642, 0.70596353], [0.40151003, 0.46521358, 0.29403647], [0.89252644, 0.46521358, 0.29403647], [0.98511087, 0.8123564999999999, 0.97022175], [0.01488913, 0.1876435, 0.02977825], [0.86884047, 0.25491356, 0.73768095], [0.13115953, 0.74508644, 0.26231905], [0.7605112900000001, 0.69893879, 0.52102358], [0.23948871, 0.30106121, 0.47897642], [0.49059039, 0.80625504, 0.98118178], [0.50940961, 0.19374496, 0.01881822], [0.74876169, 0.5, 1.0], [0.25123831, 0.5, 0.0], [0.5, 0.0, 0.5], [0.0, 0.0, 0.5], [0.73616242, 0.30810759, 0.47232484], [0.26383758, 0.69189241, 0.52767516], [0.62973147, 0.75214693, 0.25946293], [0.37026853, 0.24785307, 0.74053707], [0.9269926700000001, 0.52933145, 0.85398434], [0.07300733, 0.47066855, 0.14601566], [0.82001701, 0.97492931, 0.64003502], [0.17998299, 0.02507069, 0.35996498], [0.74142217, 0.0, 0.0], [0.25857783, 1.0, 1.0]], 'elements': ['Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'In', 'In', 'In', 'In', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co'], 'abc': [8.040309, 10.782679, 13.832894], 'angles': [110.3709, 106.8953, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}?", "refer_dataset": "table44", "column names": ["stress", "atoms", "mat_id"], "condition_column": ["stress", "atoms"], "answer_column": ["mat_id"], "condition": {"stress": "[[1.0477145, -0.0011503, 0.00031971], [-0.00115036, 1.0501072, -0.00353435], [0.00031971, -0.00353419, 1.0485927]]", "atoms": "{'lattice_mat': [[7.64557408, 0.0, -2.48834047], [-1.28237756, 9.95473208, -3.94017936], [0.27247911, 0.29233583, 13.82711863]], 'coords': [[0.61415686, 0.94772629, 0.76691603], [0.15275917, 0.94772629, 0.76691603], [0.38584314000000003, 0.05227371, 0.23308397], [0.8472408300000001, 0.05227371, 0.23308397], [0.59848997, 0.53478642, 0.70596353], [0.10747356, 0.53478642, 0.70596353], [0.40151003, 0.46521358, 0.29403647], [0.89252644, 0.46521358, 0.29403647], [0.98511087, 0.8123564999999999, 0.97022175], [0.01488913, 0.1876435, 0.02977825], [0.86884047, 0.25491356, 0.73768095], [0.13115953, 0.74508644, 0.26231905], [0.7605112900000001, 0.69893879, 0.52102358], [0.23948871, 0.30106121, 0.47897642], [0.49059039, 0.80625504, 0.98118178], [0.50940961, 0.19374496, 0.01881822], [0.74876169, 0.5, 1.0], [0.25123831, 0.5, 0.0], [0.5, 0.0, 0.5], [0.0, 0.0, 0.5], [0.73616242, 0.30810759, 0.47232484], [0.26383758, 0.69189241, 0.52767516], [0.62973147, 0.75214693, 0.25946293], [0.37026853, 0.24785307, 0.74053707], [0.9269926700000001, 0.52933145, 0.85398434], [0.07300733, 0.47066855, 0.14601566], [0.82001701, 0.97492931, 0.64003502], [0.17998299, 0.02507069, 0.35996498], [0.74142217, 0.0, 0.0], [0.25857783, 1.0, 1.0]], 'elements': ['Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'Ac', 'In', 'In', 'In', 'In', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co'], 'abc': [8.040309, 10.782679, 13.832894], 'angles': [110.3709, 106.8953, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}"}, "tool": "search_value", "answer": {"mat_id": "agm005572787"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which material ID corresponds to a compound with stress tensor {} and atoms structure {}?"}
{"question": "Retrieve the chemical composition formula for the material with ID 6607 and a recorded Tc of 1.09.", "refer_dataset": "table65", "column names": ["id", "Tc", "formula"], "condition_column": ["id", "Tc"], "answer_column": ["formula"], "condition": {"id": "6607", "Tc": "1.09"}, "tool": "search_value", "answer": {"formula": "Ni2.5Cu1.5Zr8"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the chemical composition formula for the material with ID {} and a recorded Tc of {}."}
{"question": "Which material family does the catalyst Carbon Monoxide Dehydrogenase from Moorella thermoacetica belong to?", "refer_dataset": "table12", "column names": ["Catalyst label", "Material Family"], "condition_column": ["Catalyst label"], "answer_column": ["Material Family"], "condition": {"Catalyst label": "Carbon Monoxide Dehydrogenase from Moorella thermoacetica"}, "tool": "search_value", "answer": {"Material Family": "Enzyme"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which material family does the catalyst {} belong to?"}
{"question": "Which primary anion X is present in materials with a surface area of 131.0 m²/g?", "refer_dataset": "table4", "column names": ["Surface Area(m2/g)", "X"], "condition_column": ["Surface Area(m2/g)"], "answer_column": ["X"], "condition": {"Surface Area(m2/g)": "131.0"}, "tool": "search_value", "answer": {"X": "S"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which primary anion X is present in materials with a surface area of {} m²/g?"}
{"question": "What is the post-simulation energy (final_energy) for surface structure Surface-JVASP-66053_miller_1_1_0_thickness_16_VASP_PBE_noDP composed of BaGaSb and having a surface conduction band minimum (surf_cbm) of 0.664?", "refer_dataset": "table66", "column names": ["name", "formula", "surf_cbm", "final_energy"], "condition_column": ["name", "formula", "surf_cbm"], "answer_column": ["final_energy"], "condition": {"name": "Surface-JVASP-66053_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "BaGaSb", "surf_cbm": "0.664"}, "tool": "search_value", "answer": {"final_energy": "-31.83063842"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the post-simulation energy (final_energy) for surface structure {} composed of {} and having a surface conduction band minimum (surf_cbm) of {}?"}
{"question": "Determine the shear modulus resistance of material Nb4CoSi:", "refer_dataset": "table56", "column names": ["formula", "shear modulus"], "condition_column": ["formula"], "answer_column": ["shear modulus"], "condition": {"formula": "Nb4CoSi"}, "tool": "search_value", "answer": {"shear modulus": "97.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the shear modulus resistance of material {}:"}
{"question": "What is the spectrolimited efficiency (SLME) for materials with spg_symbol P2_1/m and job identifier JVASP-76525?", "refer_dataset": "table48", "column names": ["spg_symbol", "jid", "slme"], "condition_column": ["spg_symbol", "jid"], "answer_column": ["slme"], "condition": {"spg_symbol": "P2_1/m", "jid": "JVASP-76525"}, "tool": "search_value", "answer": {"slme": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the spectrolimited efficiency (SLME) for materials with spg_symbol {} and job identifier {}?"}
{"question": "What is the formula_energy value associated with material ID 1197?", "refer_dataset": "table64", "column names": ["id", "formula_energy"], "condition_column": ["id"], "answer_column": ["formula_energy"], "condition": {"id": "1197"}, "tool": "search_value", "answer": {"formula_energy": "1.76605087946e-09"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formula_energy value associated with material ID {}?"}
{"question": "What substrate(s) are used in the reaction catalyzed by \"17%NiFe(3:1)/Al2O3Active\" titled catalyst?", "refer_dataset": "table29", "column names": ["title", "Substrates"], "condition_column": ["title"], "answer_column": ["Substrates"], "condition": {"title": "17%NiFe(3:1)/Al2O3Active"}, "tool": "search_value", "answer": {"Substrates": "CO2,H2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What substrate(s) are used in the reaction catalyzed by \"{}\" titled catalyst?"}
{"question": "What oxygen partial pressure is required to achieve a CH₄ conversion of 6.8 at a contact time of 0.04?", "refer_dataset": "table20", "column names": ["CH4-conversion%", "Contact-times", "O2-pressure"], "condition_column": ["CH4-conversion%", "Contact-times"], "answer_column": ["O2-pressure"], "condition": {"CH4-conversion%": "6.8", "Contact-times": "0.04"}, "tool": "search_value", "answer": {"O2-pressure": "0.084"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What oxygen partial pressure is required to achieve a CH₄ conversion of {} at a contact time of {}?"}
{"question": "For a Ni composition of 0.6 and Ca composition of 0.4, determine J.uAcm2_0.63_initialCA.", "refer_dataset": "table16", "column names": ["Ni", "Ca", "J.uAcm2_0.63_initialCA"], "condition_column": ["Ni", "Ca"], "answer_column": ["J.uAcm2_0.63_initialCA"], "condition": {"Ni": "0.6", "Ca": "0.4"}, "tool": "search_value", "answer": {"J.uAcm2_0.63_initialCA": "845.69"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a Ni composition of {} and Ca composition of {}, determine J.uAcm2_0.63_initialCA."}
{"question": "Which bulk formula corresponds to job identifier JVASP-14603 after achieving chemical potential -3.08603175?", "refer_dataset": "table68", "column names": ["jid", "chem_pot", "bulk_formula"], "condition_column": ["jid", "chem_pot"], "answer_column": ["bulk_formula"], "condition": {"jid": "JVASP-14603", "chem_pot": "-3.08603175"}, "tool": "search_value", "answer": {"bulk_formula": "As"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which bulk formula corresponds to job identifier {} after achieving chemical potential {}?"}
{"question": "What is the lanthanide ion concentration in solution for the compound with CIF filename 7105466.cif and publication year 2010?", "refer_dataset": "table34", "column names": ["CIF_file_name", "pub_year", "concentration"], "condition_column": ["CIF_file_name", "pub_year"], "answer_column": ["concentration"], "condition": {"CIF_file_name": "7105466.cif", "pub_year": "2010"}, "tool": "search_value", "answer": {"concentration": "100.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the lanthanide ion concentration in solution for the compound with CIF filename {} and publication year {}?"}
{"question": "What is the tertiary element in the B site of a compound with a primary A site element of Ba, an anion element of O, and an energy above hull of 94.5062097102 meV/atom?", "refer_dataset": "table35", "column names": ["A site #1", "X site", "energy_above_hull (meV/atom)", "B site #3"], "condition_column": ["A site #1", "X site", "energy_above_hull (meV/atom)"], "answer_column": ["B site #3"], "condition": {"A site #1": "Ba", "X site": "O", "energy_above_hull (meV/atom)": "94.5062097102"}, "tool": "search_value", "answer": {"B site #3": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tertiary element in the B site of a compound with a primary A site element of {}, an anion element of {}, and an energy above hull of {} meV/atom?"}
{"question": "Does the p-metal/(hydro)oxide material family catalyst labeled Electrodeposited Sn exhibit surface strain? (0=no, 1=yes)", "refer_dataset": "table12", "column names": ["Material Family", "Catalyst label", "Surface Strain"], "condition_column": ["Material Family", "Catalyst label"], "answer_column": ["Surface Strain"], "condition": {"Material Family": "p-metal/(hydro)oxide", "Catalyst label": "Electrodeposited Sn"}, "tool": "search_value", "answer": {"Surface Strain": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Does the {} material family catalyst labeled {} exhibit surface strain? (0=no, 1=yes)"}
{"question": "What is the MBJ-derived bandgap for materials with space group number 2 and chemical composition NbSe2Br2?", "refer_dataset": "table48", "column names": ["spg_number", "formula", "mbj_bandgap"], "condition_column": ["spg_number", "formula"], "answer_column": ["mbj_bandgap"], "condition": {"spg_number": "2", "formula": "NbSe2Br2"}, "tool": "search_value", "answer": {"mbj_bandgap": "1.204"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the MBJ-derived bandgap for materials with space group number {} and chemical composition {}?"}
{"question": "What is the chemical formula for the material containing the element -C-H?", "refer_dataset": "table53", "column names": ["search", "formula"], "condition_column": ["search"], "answer_column": ["formula"], "condition": {"search": "-C-H"}, "tool": "search_value", "answer": {"formula": "H2C3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula for the material containing the element {}?"}
{"question": "Determine the ionic contribution to the dielectric constant (diel_ion) where the source is 0.500587 and the GGA band gap energy is Hobson-Windle:Macromolecules.26.6903(1993) eV.", "refer_dataset": "table58", "column names": ["diel_ion", "src", "gga_gap"], "condition_column": ["diel_ion", "src"], "answer_column": ["gga_gap"], "condition": {"diel_ion": "0.500587", "src": "Hobson-Windle:Macromolecules.26.6903(1993)"}, "tool": "search_value", "answer": {"gga_gap": "6.0662"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the ionic contribution to the dielectric constant (diel_ion) where the source is {} and the GGA band gap energy is {} eV."}
{"question": "What is the total energy of a material in space group {'symprec': 0.1, 'source': 'spglib', 'symbol': 'Pnma', 'number': 62, 'point_group': 'mmm', 'crystal_system': 'orthorhombic', 'hall': '-P 2ac 2n'} with elements ['Ni', 'Tm']?", "refer_dataset": "table55", "column names": ["spacegroup", "elements", "energy"], "condition_column": ["spacegroup", "elements"], "answer_column": ["energy"], "condition": {"spacegroup": "{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Pnma', 'number': 62, 'point_group': 'mmm', 'crystal_system': 'orthorhombic', 'hall': '-P 2ac 2n'}", "elements": "['Ni', 'Tm']"}, "tool": "search_value", "answer": {"energy": "-45.03380536"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total energy of a material in space group {} with elements {}?"}
{"question": "Which preparation method (PM) yields a desorption temperature of 120℃ and SSA of 5.91 m²/g?", "refer_dataset": "table11", "column names": ["DT (℃)", "SSA (m2 g -1 )", "PM"], "condition_column": ["DT (℃)", "SSA (m2 g -1 )"], "answer_column": ["PM"], "condition": {"DT (℃)": "120", "SSA (m2 g -1 )": "5.91"}, "tool": "search_value", "answer": {"PM": "3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which preparation method (PM) yields a desorption temperature of {}℃ and SSA of {} m²/g?"}
{"question": "Determine the formula corresponding to the material with ID 1917.", "refer_dataset": "table64", "column names": ["id", "formula"], "condition_column": ["id"], "answer_column": ["formula"], "condition": {"id": "1917"}, "tool": "search_value", "answer": {"formula": "AsO4Sc"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the formula corresponding to the material with ID {}."}
{"question": "What is the space group symbol for the material with job ID JVASP-64664?", "refer_dataset": "table47", "column names": ["jid", "spg_symbol"], "condition_column": ["jid"], "answer_column": ["spg_symbol"], "condition": {"jid": "JVASP-64664"}, "tool": "search_value", "answer": {"spg_symbol": "F-43m"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the space group symbol for the material with job ID {}?"}
{"question": "What chemical environment (1=electrolyte, 2=pressure) is used for a 0.0 co-catalyst at pH 6.8 with OD-Cu + In material?", "refer_dataset": "table12", "column names": ["Co catalyst", "pH", "Material", "Chemical Environment 1=electrolyte 2=pressure"], "condition_column": ["Co catalyst", "pH", "Material"], "answer_column": ["Chemical Environment 1=electrolyte 2=pressure"], "condition": {"Co catalyst": "0.0", "pH": "6.8", "Material": "OD-Cu + In"}, "tool": "search_value", "answer": {"Chemical Environment 1=electrolyte 2=pressure": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What chemical environment (1=electrolyte, 2=pressure) is used for a {} co-catalyst at pH {} with {} material?"}
{"question": "What substrates are used in the reaction with the catalyst 17%NiFe(3:1)/Al2O3?", "refer_dataset": "table30", "column names": ["Catalyst", "Substrates"], "condition_column": ["Catalyst"], "answer_column": ["Substrates"], "condition": {"Catalyst": "17%NiFe(3:1)/Al2O3"}, "tool": "search_value", "answer": {"Substrates": "CO2,H2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What substrates are used in the reaction with the catalyst {}?"}
{"question": "What country hosts the Shenzhen Univ Shenzhen research institution?", "refer_dataset": "table13", "column names": ["Facility", "Country"], "condition_column": ["Facility"], "answer_column": ["Country"], "condition": {"Facility": "Shenzhen Univ Shenzhen"}, "tool": "search_value", "answer": {"Country": "Peoples R China"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What country hosts the {} research institution?"}
{"question": "Determine the electronic contribution to the dielectric constant (diel_elec) for the material where the source is 3.55557 and the band gap energy calculated with HSE is Mannodi-Kanakkithodi_etal:SciRep.inpress(2016) eV.", "refer_dataset": "table58", "column names": ["diel_elec", "src", "hse_gap"], "condition_column": ["diel_elec", "src"], "answer_column": ["hse_gap"], "condition": {"diel_elec": "3.55557", "src": "Mannodi-Kanakkithodi_etal:SciRep.inpress(2016)"}, "tool": "search_value", "answer": {"hse_gap": "3.6275"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the electronic contribution to the dielectric constant (diel_elec) for the material where the source is {} and the band gap energy calculated with HSE is {} eV."}
{"question": "Identify the LUMO energy value associated with a HOMO energy level of -8.212396621704102.", "refer_dataset": "table60", "column names": ["homo", "lumo"], "condition_column": ["homo"], "answer_column": ["lumo"], "condition": {"homo": "-8.212396621704102"}, "tool": "search_value", "answer": {"lumo": "0.0598650500178337"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the LUMO energy value associated with a HOMO energy level of {}."}
{"question": "How many ligands are bonded to the lanthanide in the compound [Pc2Dy]TBA?", "refer_dataset": "table34", "column names": ["compound", "coordination_number"], "condition_column": ["compound"], "answer_column": ["coordination_number"], "condition": {"compound": "[Pc2Dy]TBA"}, "tool": "search_value", "answer": {"coordination_number": "8.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many ligands are bonded to the lanthanide in the compound {}?"}
{"question": "Retrieve the internal energy (U) of a material where the zero-point vibrational energy is 0.9349287748336792 and enthalpy is -12.159272193908691.", "refer_dataset": "table60", "column names": ["zpve", "H", "U"], "condition_column": ["zpve", "H"], "answer_column": ["U"], "condition": {"zpve": "0.9349287748336792", "H": "-12.159272193908691"}, "tool": "search_value", "answer": {"U": "-12.082127571105955"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the internal energy (U) of a material where the zero-point vibrational energy is {} and enthalpy is {}."}
{"question": "What is the Ca concentration when Mg is 0.2 and J.uAcm2_0.80_fromCV measures 1125.245?", "refer_dataset": "table16", "column names": ["Mg", "J.uAcm2_0.80_fromCV", "Ca"], "condition_column": ["Mg", "J.uAcm2_0.80_fromCV"], "answer_column": ["Ca"], "condition": {"Mg": "0.2", "J.uAcm2_0.80_fromCV": "1125.245"}, "tool": "search_value", "answer": {"Ca": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Ca concentration when Mg is {} and J.uAcm2_0.80_fromCV measures {}?"}
{"question": "Which substitution anion X1 accompanies primary element B Cd and surface area 124.8 m²/g?", "refer_dataset": "table4", "column names": ["B", "Surface Area(m2/g)", "X1"], "condition_column": ["B", "Surface Area(m2/g)"], "answer_column": ["X1"], "condition": {"B": "Cd", "Surface Area(m2/g)": "124.8"}, "tool": "search_value", "answer": {"X1": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which substitution anion X1 accompanies primary element B {} and surface area {} m²/g?"}
{"question": "What is the surface identifier key for element Rh on surface -111 with reaction energy 0.424 eV?", "refer_dataset": "table18", "column names": ["AA", "surfaces", "reaction_energy", "surfaces_key"], "condition_column": ["AA", "surfaces", "reaction_energy"], "answer_column": ["surfaces_key"], "condition": {"AA": "Rh", "surfaces": "-111", "reaction_energy": "0.424"}, "tool": "search_value", "answer": {"surfaces_key": "4"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the surface identifier key for element {} on surface {} with reaction energy {} eV?"}
{"question": "What is the acidic overpotential value for the study documented under DOI 10.1016/j.apsusc.2019.143710?", "refer_dataset": "table13", "column names": ["DOI", "Acid_OVP"], "condition_column": ["DOI"], "answer_column": ["Acid_OVP"], "condition": {"DOI": "10.1016/j.apsusc.2019.143710"}, "tool": "search_value", "answer": {"Acid_OVP": "156.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the acidic overpotential value for the study documented under DOI {}?"}
{"question": "What is the OptB88vdW bandgap of the material with job ID JVASP-64906 and Poisson ratio of na?", "refer_dataset": "table47", "column names": ["jid", "poisson", "optb88vdw_bandgap"], "condition_column": ["jid", "poisson"], "answer_column": ["optb88vdw_bandgap"], "condition": {"jid": "JVASP-64906", "poisson": "na"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the OptB88vdW bandgap of the material with job ID {} and Poisson ratio of {}?"}
{"question": "What is the energy above hull value associated with Ba2La6Cr8O24?", "refer_dataset": "table37", "column names": ["Material Composition", "EnergyAboveHull"], "condition_column": ["Material Composition"], "answer_column": ["EnergyAboveHull"], "condition": {"Material Composition": "Ba2La6Cr8O24"}, "tool": "search_value", "answer": {"EnergyAboveHull": "16.6684097187"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy above hull value associated with {}?"}
{"question": "What is the valence band maximum (VBM) if the conduction band minimum (CBM) is 5.258?", "refer_dataset": "table52", "column names": ["optb88vdw_cbm", "optb88vdw_vbm"], "condition_column": ["optb88vdw_cbm"], "answer_column": ["optb88vdw_vbm"], "condition": {"optb88vdw_cbm": "5.258"}, "tool": "search_value", "answer": {"optb88vdw_vbm": "6.1399"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the valence band maximum (VBM) if the conduction band minimum (CBM) is {}?"}
{"question": "Provide the entry date (date) for the COD CIF file 1000031?", "refer_dataset": "table38", "column names": ["file", "date"], "condition_column": ["file"], "answer_column": ["date"], "condition": {"file": "1000031"}, "tool": "search_value", "answer": {"date": "2020/10/21"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the entry date (date) for the COD CIF file {}?"}
{"question": "How many elements are present in a material with a secondary A site element of Cd, primary B site element of Ni, and energy above hull of 284.898189574 meV/atom?", "refer_dataset": "table35", "column names": ["A site #2", "B site #1", "energy_above_hull (meV/atom)", "Number of elements"], "condition_column": ["A site #2", "B site #1", "energy_above_hull (meV/atom)"], "answer_column": ["Number of elements"], "condition": {"A site #2": "Cd", "B site #1": "Ni", "energy_above_hull (meV/atom)": "284.898189574"}, "tool": "search_value", "answer": {"Number of elements": "5"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many elements are present in a material with a secondary A site element of {}, primary B site element of {}, and energy above hull of {} meV/atom?"}
{"question": "What is the band gap (gap pbe) of a material with formula BaTe, bulk modulus -1.5056371435744094, and formation energy (e_form) -1.7901681999999997?", "refer_dataset": "table54", "column names": ["formula", "bulk modulus", "e_form", "gap pbe"], "condition_column": ["formula", "bulk modulus", "e_form"], "answer_column": ["gap pbe"], "condition": {"formula": "BaTe", "bulk modulus": "-1.5056371435744094", "e_form": "-1.7901681999999997"}, "tool": "search_value", "answer": {"gap pbe": "1.5930000000000002"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band gap (gap pbe) of a material with formula {}, bulk modulus {}, and formation energy (e_form) {}?"}
{"question": "Determine the refractive index (Ref_ind) of a perovskite with a PBE decomposition energy of -0.03 eV and a Log_fom of 5.36.", "refer_dataset": "table49", "column names": ["PBE_decomp_energy", "Log_fom", "Ref_ind"], "condition_column": ["PBE_decomp_energy", "Log_fom"], "answer_column": ["Ref_ind"], "condition": {"PBE_decomp_energy": "-0.03", "Log_fom": "5.36"}, "tool": "search_value", "answer": {"Ref_ind": "2.29"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the refractive index (Ref_ind) of a perovskite with a PBE decomposition energy of {} eV and a Log_fom of {}."}
{"question": "For the material Perov-7, what is the logarithm of the figure of merit (Log_fom)?", "refer_dataset": "table49", "column names": ["id", "Log_fom"], "condition_column": ["id"], "answer_column": ["Log_fom"], "condition": {"id": "Perov-7"}, "tool": "search_value", "answer": {"Log_fom": "5.4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material {}, what is the logarithm of the figure of merit (Log_fom)?"}
{"question": "Which material ID corresponds to the chemical formula 1454?", "refer_dataset": "table64", "column names": ["id", "formula"], "condition_column": ["id"], "answer_column": ["formula"], "condition": {"id": "1454"}, "tool": "search_value", "answer": {"formula": "MoS2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which material ID corresponds to the chemical formula {}?"}
{"question": "What activation energy (eV) corresponds to adsorbed species CH2OO*?", "refer_dataset": "table18", "column names": ["ab", "activation_energy"], "condition_column": ["ab"], "answer_column": ["activation_energy"], "condition": {"ab": "CH2OO*"}, "tool": "search_value", "answer": {"activation_energy": "0.02"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What activation energy (eV) corresponds to adsorbed species {}?"}
{"question": "Calculate the conduction band minimum (surf_cbm) for material Be2FeW and surface Surface-JVASP-64917_miller_1_1_0_thickness_16_VASP_PBE_noDP when the average maximum potential is 4.90124480902507.", "refer_dataset": "table66", "column names": ["formula", "name", "avg_max", "surf_cbm"], "condition_column": ["formula", "name", "avg_max"], "answer_column": ["surf_cbm"], "condition": {"formula": "Be2FeW", "name": "Surface-JVASP-64917_miller_1_1_0_thickness_16_VASP_PBE_noDP", "avg_max": "4.90124480902507"}, "tool": "search_value", "answer": {"surf_cbm": "1.7927"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the conduction band minimum (surf_cbm) for material {} and surface {} when the average maximum potential is {}."}
{"question": "What is the simplified chemical formula of the material with a unit cell volume of 160.3415533462408?", "refer_dataset": "table55", "column names": ["volume", "pretty_formula"], "condition_column": ["volume"], "answer_column": ["pretty_formula"], "condition": {"volume": "160.3415533462408"}, "tool": "search_value", "answer": {"pretty_formula": "Li6FeS4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the simplified chemical formula of the material with a unit cell volume of {}?"}
{"question": "What is the energy above convex hull (e_hull) for the compound with the formula Hf2S?", "refer_dataset": "table54", "column names": ["formula", "e_hull"], "condition_column": ["formula"], "answer_column": ["e_hull"], "condition": {"formula": "Hf2S"}, "tool": "search_value", "answer": {"e_hull": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy above convex hull (e_hull) for the compound with the formula {}?"}
{"question": "What is the Unallcategorized components (Other) for a study with Hydroxide ion concentration (OH) of unknown, Framework Density 2 parameter (FD2) of 0.5, and Molar Ratio 1 (MR1) of 16.65?", "refer_dataset": "table40", "column names": ["Other", "OH", "FD2", "MR1"], "condition_column": ["Other", "OH", "FD2"], "answer_column": ["MR1"], "condition": {"Other": "unknown", "OH": "0.5", "FD2": "16.65"}, "tool": "search_value", "answer": {"MR1": "18.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Unallcategorized components (Other) for a study with Hydroxide ion concentration (OH) of {}, Framework Density 2 parameter (FD2) of {}, and Molar Ratio 1 (MR1) of {}?"}
{"question": "Identify the material dimensionality classification for bulk formula Hg with formation energy 5.99159.", "refer_dataset": "table68", "column names": ["bulk_formula", "ef", "material_type"], "condition_column": ["bulk_formula", "ef"], "answer_column": ["material_type"], "condition": {"bulk_formula": "Hg", "ef": "5.99159"}, "tool": "search_value", "answer": {"material_type": "3D"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the material dimensionality classification for bulk formula {} with formation energy {}."}
{"question": "What is the formation energy per atom of the material identified by jid JVASP-28634?", "refer_dataset": "table47", "column names": ["jid", "formation_energy_peratom"], "condition_column": ["jid"], "answer_column": ["formation_energy_peratom"], "condition": {"jid": "JVASP-28634"}, "tool": "search_value", "answer": {"formation_energy_peratom": "-0.79449"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy per atom of the material identified by jid {}?"}
{"question": "Find the defective energy value of the structure where the Wyckoff position is c and symbol is Kr.", "refer_dataset": "table68", "column names": ["wycoff", "symbol", "defective_energy"], "condition_column": ["wycoff", "symbol"], "answer_column": ["defective_energy"], "condition": {"wycoff": "c", "symbol": "Kr"}, "tool": "search_value", "answer": {"defective_energy": "67.55173357"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the defective energy value of the structure where the Wyckoff position is {} and symbol is {}."}
{"question": "Determine the Primary dense phase material (Dense1) at a Germanium molar ratio (Ge) of 122B, ITQ zeolite presence (ITQ) of 1.0, and Reaction duration (Time) of no hours.", "refer_dataset": "table40", "column names": ["Dense1", "Ge", "ITQ", "Time"], "condition_column": ["Dense1", "Ge", "ITQ"], "answer_column": ["Time"], "condition": {"Dense1": "122B", "Ge": "1.0", "ITQ": "no"}, "tool": "search_value", "answer": {"Time": "336.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the Primary dense phase material (Dense1) at a Germanium molar ratio (Ge) of {}, ITQ zeolite presence (ITQ) of {}, and Reaction duration (Time) of {} hours."}
{"question": "What is the BP86 Scharber PCE if the BP86 HOMO is -0.167, LUMO is -0.111, and gap is 0.056?", "refer_dataset": "table51", "column names": ["bp86_homo", "bp86_lumo", "bp86_gap", "bp86_scharber_pce"], "condition_column": ["bp86_homo", "bp86_lumo", "bp86_gap"], "answer_column": ["bp86_scharber_pce"], "condition": {"bp86_homo": "-0.167", "bp86_lumo": "-0.111", "bp86_gap": "0.056"}, "tool": "search_value", "answer": {"bp86_scharber_pce": "-0.66420398136"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the BP86 Scharber PCE if the BP86 HOMO is {}, LUMO is {}, and gap is {}?"}
{"question": "What is the atomic number of element C when element A is 0, Bn is 2, and the formation energy is 2.12 eV?", "refer_dataset": "table22", "column names": ["A", "Bn", "Formation_E", "C_AtomN"], "condition_column": ["A", "Bn", "Formation_E"], "answer_column": ["C_AtomN"], "condition": {"A": "0", "Bn": "2", "Formation_E": "2.12"}, "tool": "search_value", "answer": {"C_AtomN": "3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the atomic number of element C when element A is {}, Bn is {}, and the formation energy is {} eV?"}
{"question": "Which Job Identifier corresponds to the compound with species H2OCH3OCH3?", "refer_dataset": "table46", "column names": ["species", "jid"], "condition_column": ["species"], "answer_column": ["jid"], "condition": {"species": "H2OCH3OCH3"}, "tool": "search_value", "answer": {"jid": "cc-8"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which Job Identifier corresponds to the compound with species {}?"}
{"question": "For a system with a final energy of -168.5512116 and a band alignment offset of -0.9168658555902556, what is the valence band maximum (VBM)?", "refer_dataset": "table52", "column names": ["final_energy", "offset", "optb88vdw_vbm"], "condition_column": ["final_energy", "offset"], "answer_column": ["optb88vdw_vbm"], "condition": {"final_energy": "-168.5512116", "offset": "-0.9168658555902556"}, "tool": "search_value", "answer": {"optb88vdw_vbm": "4.7106"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a system with a final energy of {} and a band alignment offset of {}, what is the valence band maximum (VBM)?"}
{"question": "Which reference tested organic compound n-Nitrosodimethylamine under both light intensity 1.4 mW/cm² and dose 2.0 g/L?", "refer_dataset": "table9", "column names": ["OC", "I, mW/cm2", "D, g/L", "Ref"], "condition_column": ["OC", "I, mW/cm2", "D, g/L"], "answer_column": ["Ref"], "condition": {"OC": "n-Nitrosodimethylamine", "I, mW/cm2": "1.4", "D, g/L": "2.0"}, "tool": "search_value", "answer": {"Ref": "18"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which reference tested organic compound {} under both light intensity {} mW/cm² and dose {} g/L?"}
{"question": "What is the Methyl adsorption energy (CH3Ead) of a system combining Base Be and Dope Li?", "refer_dataset": "table24", "column names": ["Base", "Dope", "CH3Ead"], "condition_column": ["Base", "Dope"], "answer_column": ["CH3Ead"], "condition": {"Base": "Be", "Dope": "Li"}, "tool": "search_value", "answer": {"CH3Ead": "-0.0034702471"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Methyl adsorption energy (CH3Ead) of a system combining Base {} and Dope {}?"}
{"question": "For the material with ID mp-10006, what is its stability (e_hull) metric?", "refer_dataset": "table54", "column names": ["id", "e_hull"], "condition_column": ["id"], "answer_column": ["e_hull"], "condition": {"id": "mp-10006"}, "tool": "search_value", "answer": {"e_hull": "0.1221254606249986"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with ID {}, what is its stability (e_hull) metric?"}
{"question": "Return the source identifier for the compound with total magnetization 0.3531722.", "refer_dataset": "table67", "column names": ["total_magnetization", "source_id"], "condition_column": ["total_magnetization"], "answer_column": ["source_id"], "condition": {"total_magnetization": "0.3531722"}, "tool": "search_value", "answer": {"source_id": "mp-1416"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Return the source identifier for the compound with total magnetization {}."}
{"question": "Under a temperature of 825.0°C, what is the M1 element if the support is BaO and CO2 yield is 3.8%?", "refer_dataset": "table26", "column names": ["Temp (oC)", "Support", "CO2 yield (%)", "M1"], "condition_column": ["Temp (oC)", "Support", "CO2 yield (%)"], "answer_column": ["M1"], "condition": {"Temp (oC)": "825.0", "Support": "BaO", "CO2 yield (%)": "3.8"}, "tool": "search_value", "answer": {"M1": "Mo"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Under a temperature of {}°C, what is the M1 element if the support is {} and CO2 yield is {}%?"}
{"question": "What is the ID of the MOF with a maximum CO₂ adsorption of 4.18618, pore limiting diameter of 10.25 Å, and surface area of 3670.2 m²/g?", "refer_dataset": "table50", "column names": ["max_co2_adsp", "pld", "surface_area_m2g", "id"], "condition_column": ["max_co2_adsp", "pld", "surface_area_m2g"], "answer_column": ["id"], "condition": {"max_co2_adsp": "4.18618", "pld": "10.25", "surface_area_m2g": "3670.2"}, "tool": "search_value", "answer": {"id": "hMOF-16554"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ID of the MOF with a maximum CO₂ adsorption of {}, pore limiting diameter of {} Å, and surface area of {} m²/g?"}
{"question": "What is the band gap (gap pbe) of a material with formula BeC2, bulk modulus 82.71614631594176, and formation energy (e_form) 0.8508886049999992?", "refer_dataset": "table54", "column names": ["formula", "bulk modulus", "e_form", "gap pbe"], "condition_column": ["formula", "bulk modulus", "e_form"], "answer_column": ["gap pbe"], "condition": {"formula": "BeC2", "bulk modulus": "82.71614631594176", "e_form": "0.8508886049999992"}, "tool": "search_value", "answer": {"gap pbe": "1.6671"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band gap (gap pbe) of a material with formula {}, bulk modulus {}, and formation energy (e_form) {}?"}
{"question": "Determine the post-simulation atomic structure (final_atoms) for surface material Be2FeW.", "refer_dataset": "table66", "column names": ["formula", "final_atoms"], "condition_column": ["formula"], "answer_column": ["final_atoms"], "condition": {"formula": "Be2FeW"}, "tool": "search_value", "answer": {"final_atoms": "{'lattice_mat': [[7.87350673, 0.0, 0.0], [0.0, 5.56741, 0.0], [0.0, 0.0, 23.81026009]], 'coords': [[4.2e-07, 0.62709186, 0.04365014], [0.50000021, 0.62360295, 0.20948456], [-0.0, 0.63776091, 0.37458546], [0.50000021, 0.37278086, 0.12370892], [-0.0, 0.37360969, 0.29018645], [0.49999979, 0.39301187, 0.44914299], [0.7500001, 0.13776091, 0.12143013], [0.2499999, 0.12360295, 0.28653103], [0.74999969, 0.12709186, 0.45236544], [0.7500001, 0.89301187, 0.04687259], [0.2499999, 0.87360969, 0.20582914], [0.74999969, 0.87278086, 0.37230666], [0.25000031, 0.13776091, 0.12143013], [0.7500001, 0.12360295, 0.28653103], [0.2499999, 0.12709186, 0.45236544], [0.25000031, 0.89301187, 0.04687259], [0.7500001, 0.87360969, 0.20582914], [0.2499999, 0.87278086, 0.37230666], [0.50000021, 0.62709186, 0.04365014], [-0.0, 0.62360295, 0.20948456], [0.49999979, 0.63776091, 0.37458546], [-0.0, 0.37278086, 0.12370892], [0.49999979, 0.37360969, 0.29018645], [0.99999958, 0.39301187, 0.44914299], [0.7500001, 0.61411552, 0.11941007], [0.2499999, 0.62642114, 0.2874931], [0.74999969, 0.62377831, 0.44770924], [4.2e-07, 0.12377831, 0.04830634], [0.50000021, 0.12642114, 0.20852248], [-0.0, 0.11411552, 0.37660551], [0.50000021, 0.12377831, 0.04830634], [-0.0, 0.12642114, 0.20852248], [0.49999979, 0.11411552, 0.37660551], [0.25000031, 0.61411552, 0.11941007], [0.7500001, 0.62642114, 0.2874931], [0.2499999, 0.62377831, 0.44770924], [0.7500001, 0.3631718, 0.03749352], [0.2499999, 0.3763231, 0.20565642], [0.74999969, 0.36833199, 0.3707781], [0.50000021, 0.86833199, 0.12523748], [-0.0, 0.8763231, 0.29035917], [0.49999979, 0.8631718, 0.45852206], [0.0, 0.86833199, 0.12523748], [0.49999979, 0.8763231, 0.29035917], [0.99999958, 0.8631718, 0.45852206], [0.25000031, 0.3631718, 0.03749352], [0.7500001, 0.3763231, 0.20565642], [0.2499999, 0.36833199, 0.3707781]], 'elements': ['Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'W', 'W', 'W', 'W', 'W', 'W', 'W', 'W', 'W', 'W', 'W', 'W'], 'abc': [7.87351, 5.56741, 23.81026], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the post-simulation atomic structure (final_atoms) for surface material {}."}
{"question": "Find the tertiary A site element for a compound where the primary B site is Al, anion element is O, and number of elements is 3.", "refer_dataset": "table35", "column names": ["B site #1", "X site", "Number of elements", "A site #3"], "condition_column": ["B site #1", "X site", "Number of elements"], "answer_column": ["A site #3"], "condition": {"B site #1": "Al", "X site": "O", "Number of elements": "3"}, "tool": "search_value", "answer": {"A site #3": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the tertiary A site element for a compound where the primary B site is {}, anion element is {}, and number of elements is {}."}
{"question": "What is the first ionization energy of element B (I1b) in a material with electronegativity of A (χpa) 0.93, electron affinity of B (EAb) 58.65, and molar mass (M) 207.9?", "refer_dataset": "table2", "column names": ["χpa", "EAb", "M", "I1b"], "condition_column": ["χpa", "EAb", "M"], "answer_column": ["I1b"], "condition": {"χpa": "0.93", "EAb": "58.65", "M": "207.9"}, "tool": "search_value", "answer": {"I1b": "7.154"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the first ionization energy of element B (I1b) in a material with electronegativity of A (χpa) {}, electron affinity of B (EAb) {}, and molar mass (M) {}?"}
{"question": "Provide the average maximum potential (avg_max) for surface structure Surface-JVASP-64917_miller_1_1_0_thickness_16_VASP_PBE_noDP.", "refer_dataset": "table66", "column names": ["name", "avg_max"], "condition_column": ["name"], "answer_column": ["avg_max"], "condition": {"name": "Surface-JVASP-64917_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"avg_max": "4.90124480902507"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the average maximum potential (avg_max) for surface structure {}."}
{"question": "Which molecular formula has a photocatalyst dose of La0.8875Sr0.1125Fe0.9625Ti0.0375O3 g L-1?", "refer_dataset": "table1", "column names": ["Molecular formula", "Photocatalyst dose(g L-1)"], "condition_column": ["Molecular formula"], "answer_column": ["Photocatalyst dose(g L-1)"], "condition": {"Molecular formula": "La0.8875Sr0.1125Fe0.9625Ti0.0375O3"}, "tool": "search_value", "answer": {"Photocatalyst dose(g L-1)": "1.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which molecular formula has a photocatalyst dose of {} g L-1?"}
{"question": "What is the total energy of a material in space group {'symprec': 0.1, 'source': 'spglib', 'symbol': 'Pm-3m', 'number': 221, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': '-P 4 2 3'} with elements ['Ti', 'Be']?", "refer_dataset": "table55", "column names": ["spacegroup", "elements", "energy"], "condition_column": ["spacegroup", "elements"], "answer_column": ["energy"], "condition": {"spacegroup": "{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Pm-3m', 'number': 221, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': '-P 4 2 3'}", "elements": "['Ti', 'Be']"}, "tool": "search_value", "answer": {"energy": "-11.91460277"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total energy of a material in space group {} with elements {}?"}
{"question": "Provide the slope in CSM analysis for the compound Na[ErDOTA(H2O)]·4H2O within the 100000.0 sub-family.", "refer_dataset": "table34", "column names": ["compound", "sub_family", "slope_CSM"], "condition_column": ["compound", "sub_family"], "answer_column": ["slope_CSM"], "condition": {"compound": "Na[ErDOTA(H2O)]·4H2O", "sub_family": "100000.0"}, "tool": "search_value", "answer": {"slope_CSM": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the slope in CSM analysis for the compound {} within the {} sub-family."}
{"question": "Determine the activation energy (eV) for element Pt (atomic number 78) on surface identifier 2.", "refer_dataset": "table18", "column names": ["AA", "A_AtimicN", "surfaces_key", "activation_energy"], "condition_column": ["AA", "A_AtimicN", "surfaces_key"], "answer_column": ["activation_energy"], "condition": {"AA": "Pt", "A_AtimicN": "78", "surfaces_key": "2"}, "tool": "search_value", "answer": {"activation_energy": "0.05"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the activation energy (eV) for element {} (atomic number {}) on surface identifier {}."}
{"question": "Which support material is used for the catalyst containing the metal component NiPd?", "refer_dataset": "table29", "column names": ["MetalPart", "Support"], "condition_column": ["MetalPart"], "answer_column": ["Support"], "condition": {"MetalPart": "NiPd"}, "tool": "search_value", "answer": {"Support": "γ-Al2O3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which support material is used for the catalyst containing the metal component {}?"}
{"question": "Report the X site element for a material where the primary A site is Ba, tertiary A site is Pr, and formation energy is -1.03351116921 eV/atom.", "refer_dataset": "table35", "column names": ["A site #1", "A site #3", "formation_energy (eV/atom)", "X site"], "condition_column": ["A site #1", "A site #3", "formation_energy (eV/atom)"], "answer_column": ["X site"], "condition": {"A site #1": "Ba", "A site #3": "Pr", "formation_energy (eV/atom)": "-1.03351116921"}, "tool": "search_value", "answer": {"X site": "O"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the X site element for a material where the primary A site is {}, tertiary A site is {}, and formation energy is {} eV/atom."}
{"question": "Given material ID mp-10000, what is its e_hull value?", "refer_dataset": "table56", "column names": ["id", "e_hull"], "condition_column": ["id"], "answer_column": ["e_hull"], "condition": {"id": "mp-10000"}, "tool": "search_value", "answer": {"e_hull": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given material ID {}, what is its e_hull value?"}
{"question": "What is the abstract of the paper titled Sparsity-certifying Graph Decompositions, submitted by Louis Theran?", "refer_dataset": "table45", "column names": ["title", "submitter", "abstract"], "condition_column": ["title", "submitter"], "answer_column": ["abstract"], "condition": {"title": "Sparsity-certifying Graph Decompositions", "submitter": "Louis Theran"}, "tool": "search_value", "answer": {"abstract": "  We describe a new algorithm, the $(k,\\ell)$-pebble game with colors, and use\nit obtain a characterization of the family of $(k,\\ell)$-sparse graphs and\nalgorithmic solutions to a family of problems concerning tree decompositions of\ngraphs. Special instances of sparse graphs appear in rigidity theory and have\nreceived increased attention in recent years. In particular, our colored\npebbles generalize and strengthen the previous results of Lee and Streinu and\ngive a new proof of the Tutte-Nash-Williams characterization of arboricity. We\nalso present a new decomposition that certifies sparsity based on the\n$(k,\\ell)$-pebble game with colors. Our work also exposes connections between\npebble game algorithms and previous sparse graph algorithms by Gabow, Gabow and\nWestermann and Hendrickson.\n"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the abstract of the paper titled {}, submitted by {}?"}
{"question": "Determine the ID for the material whose formula is Re0.1W0.9.", "refer_dataset": "table65", "column names": ["formula", "id"], "condition_column": ["formula"], "answer_column": ["id"], "condition": {"formula": "Re0.1W0.9"}, "tool": "search_value", "answer": {"id": "7"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the ID for the material whose formula is {}."}
{"question": "Determine the M06 Scharber Voc for a material with M06 HOMO -0.279 and LUMO 0.015.", "refer_dataset": "table51", "column names": ["m06_homo", "m06_lumo", "m06_scharber_voc"], "condition_column": ["m06_homo", "m06_lumo"], "answer_column": ["m06_scharber_voc"], "condition": {"m06_homo": "-0.279", "m06_lumo": "0.015"}, "tool": "search_value", "answer": {"m06_scharber_voc": "2.9919762755"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the M06 Scharber Voc for a material with M06 HOMO {} and LUMO {}."}
{"question": "Determine the Reaction energy (ReactionE) for a material with Base Be and Dope Li.", "refer_dataset": "table24", "column names": ["Base", "Dope", "ReactionE"], "condition_column": ["Base", "Dope"], "answer_column": ["ReactionE"], "condition": {"Base": "Be", "Dope": "Li"}, "tool": "search_value", "answer": {"ReactionE": "-0.9257165581"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the Reaction energy (ReactionE) for a material with Base {} and Dope {}."}
{"question": "Provide the modulus of elasticity (10³ Mpa) for the element with atomic radius 1.9 Å.", "refer_dataset": "table36", "column names": ["Atomic Radius (Å)", "Modulus of Elasticity 10³ Mpa"], "condition_column": ["Atomic Radius (Å)"], "answer_column": ["Modulus of Elasticity 10³ Mpa"], "condition": {"Atomic Radius (Å)": "1.9"}, "tool": "search_value", "answer": {"Modulus of Elasticity 10³ Mpa": "5.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the modulus of elasticity (10³ Mpa) for the element with atomic radius {} Å."}
{"question": "What is the energy indicating phase separation tendency for the material with ID agm004260580?", "refer_dataset": "table44", "column names": ["mat_id", "e_phase_separation"], "condition_column": ["mat_id"], "answer_column": ["e_phase_separation"], "condition": {"mat_id": "agm004260580"}, "tool": "search_value", "answer": {"e_phase_separation": "0.13900621"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy indicating phase separation tendency for the material with ID {}?"}
{"question": "What is the bandgap energy of the material with source ID mp-30033 and material ID 2dm-1?", "refer_dataset": "table67", "column names": ["source_id", "material_id", "bandgap"], "condition_column": ["source_id", "material_id"], "answer_column": ["bandgap"], "condition": {"source_id": "mp-30033", "material_id": "2dm-1"}, "tool": "search_value", "answer": {"bandgap": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bandgap energy of the material with source ID {} and material ID {}?"}
{"question": "What is the HOMO energy for the molecule represented by the SMILES notation O?", "refer_dataset": "table61", "column names": ["SMILES", "HOMO"], "condition_column": ["SMILES"], "answer_column": ["HOMO"], "condition": {"SMILES": "O"}, "tool": "search_value", "answer": {"HOMO": "-2.39407464504146"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HOMO energy for the molecule represented by the SMILES notation {}?"}
{"question": "Determine the surface energy (surf_en) for material AlAs with surface identifier Surface-JVASP-1372_miller_1_1_0_thickness_16_VASP_PBE_noDP and initial atomic structure {'lattice_mat': [[8.09651407, 0.0, 0.0], [0.0, 5.7251, 0.0], [0.0, 0.0, 24.1447711]], 'coords': [[0.9999995, 0.625, 0.04191648], [0.49999975, 0.625, 0.20958248], [0.0, 0.625, 0.37724848], [0.74999987, 0.125, 0.12574948], [0.25000013, 0.125, 0.29341548], [0.75000038, 0.125, 0.46108148], [0.24999962, 0.125, 0.12574948], [0.74999987, 0.125, 0.29341548], [0.25000013, 0.125, 0.46108148], [0.49999975, 0.625, 0.04191648], [0.0, 0.625, 0.20958248], [0.50000025, 0.625, 0.37724848], [0.74999987, 0.875, 0.04191648], [0.25000013, 0.875, 0.20958248], [0.75000038, 0.875, 0.37724848], [0.49999975, 0.375, 0.12574948], [0.0, 0.375, 0.29341548], [0.50000025, 0.375, 0.46108148], [0.0, 0.375, 0.12574948], [0.50000025, 0.375, 0.29341548], [5e-07, 0.375, 0.46108148], [0.24999962, 0.875, 0.04191648], [0.74999987, 0.875, 0.20958248], [0.25000013, 0.875, 0.37724848]], 'elements': ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As'], 'abc': [8.09651, 5.7251, 24.14477], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}.", "refer_dataset": "table66", "column names": ["formula", "name", "initial_atoms", "surf_en"], "condition_column": ["formula", "name", "initial_atoms"], "answer_column": ["surf_en"], "condition": {"formula": "AlAs", "name": "Surface-JVASP-1372_miller_1_1_0_thickness_16_VASP_PBE_noDP", "initial_atoms": "{'lattice_mat': [[8.09651407, 0.0, 0.0], [0.0, 5.7251, 0.0], [0.0, 0.0, 24.1447711]], 'coords': [[0.9999995, 0.625, 0.04191648], [0.49999975, 0.625, 0.20958248], [0.0, 0.625, 0.37724848], [0.74999987, 0.125, 0.12574948], [0.25000013, 0.125, 0.29341548], [0.75000038, 0.125, 0.46108148], [0.24999962, 0.125, 0.12574948], [0.74999987, 0.125, 0.29341548], [0.25000013, 0.125, 0.46108148], [0.49999975, 0.625, 0.04191648], [0.0, 0.625, 0.20958248], [0.50000025, 0.625, 0.37724848], [0.74999987, 0.875, 0.04191648], [0.25000013, 0.875, 0.20958248], [0.75000038, 0.875, 0.37724848], [0.49999975, 0.375, 0.12574948], [0.0, 0.375, 0.29341548], [0.50000025, 0.375, 0.46108148], [0.0, 0.375, 0.12574948], [0.50000025, 0.375, 0.29341548], [5e-07, 0.375, 0.46108148], [0.24999962, 0.875, 0.04191648], [0.74999987, 0.875, 0.20958248], [0.25000013, 0.875, 0.37724848]], 'elements': ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As', 'As'], 'abc': [8.09651, 5.7251, 24.14477], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}"}, "tool": "search_value", "answer": {"surf_en": "0.8739223445286077"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the surface energy (surf_en) for material {} with surface identifier {} and initial atomic structure {}."}
{"question": "What is the ionic contribution to the Goldschmidt tolerance factor when the total tolerance factor is 1.03409787041?", "refer_dataset": "table37", "column names": ["goldschmidt_TF", "goldschmidt_TF_ionic"], "condition_column": ["goldschmidt_TF"], "answer_column": ["goldschmidt_TF_ionic"], "condition": {"goldschmidt_TF": "1.03409787041"}, "tool": "search_value", "answer": {"goldschmidt_TF_ionic": "0.905441610056"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ionic contribution to the Goldschmidt tolerance factor when the total tolerance factor is {}?"}
{"question": "What is the support material used when the primary metal (M1) is Er?", "refer_dataset": "table28", "column names": ["M1", "Support"], "condition_column": ["M1"], "answer_column": ["Support"], "condition": {"M1": "Er"}, "tool": "search_value", "answer": {"Support": "Bi"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the support material used when the primary metal (M1) is {}?"}
{"question": "What is the atomic radius of element B (Rb) in materials where the first ionization energy of A (I1a) is 5.595 kJ/mol and the molar mass (M) is 235.06 g/mol?", "refer_dataset": "table3", "column names": ["I1a", "M", "Rb"], "condition_column": ["I1a", "M"], "answer_column": ["Rb"], "condition": {"I1a": "5.595", "M": "235.06"}, "tool": "search_value", "answer": {"Rb": "55.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the atomic radius of element B (Rb) in materials where the first ionization energy of A (I1a) is {} kJ/mol and the molar mass (M) is {} g/mol?"}
{"question": "Find the electronegativity of element B (χpb) if the radius ratio (Ra/Rb) is 1.543, ionization energy of A (I1a) is 6.927, and tolerance factor (t) is 0.831.", "refer_dataset": "table2", "column names": ["Ra/Rb", "I1a", "t", "χpb"], "condition_column": ["Ra/Rb", "I1a", "t"], "answer_column": ["χpb"], "condition": {"Ra/Rb": "1.543", "I1a": "6.927", "t": "0.831"}, "tool": "search_value", "answer": {"χpb": "1.54"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the electronegativity of element B (χpb) if the radius ratio (Ra/Rb) is {}, ionization energy of A (I1a) is {}, and tolerance factor (t) is {}."}
{"question": "Report the delta_e value for materials exhibiting a band gap of 3.522.", "refer_dataset": "table57", "column names": ["_oqmd_band_gap", "_oqmd_delta_e"], "condition_column": ["_oqmd_band_gap"], "answer_column": ["_oqmd_delta_e"], "condition": {"_oqmd_band_gap": "3.522"}, "tool": "search_value", "answer": {"_oqmd_delta_e": "-2.94410940293938"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the delta_e value for materials exhibiting a band gap of {}."}
{"question": "Determine the temperature needed for solvent type Propylene glycol, polymer weight 0.0 kDa, and surfactant type Triton X-100.", "refer_dataset": "table42", "column names": ["Solvent type", "Polymer Mwt, kDa", "Surfactant type", "Temperature, C"], "condition_column": ["Solvent type", "Polymer Mwt, kDa", "Surfactant type"], "answer_column": ["Temperature, C"], "condition": {"Solvent type": "Propylene glycol", "Polymer Mwt, kDa": "0.0", "Surfactant type": "Triton X-100"}, "tool": "search_value", "answer": {"Temperature, C": "19"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the temperature needed for solvent type {}, polymer weight {} kDa, and surfactant type {}."}
{"question": "Which subject category is assigned to the paper titled A determinant of Stirling cycle numbers counts unlabeled acyclic\n  single-source automata?", "refer_dataset": "table45", "column names": ["title", "categories"], "condition_column": ["title"], "answer_column": ["categories"], "condition": {"title": "A determinant of Stirling cycle numbers counts unlabeled acyclic\n  single-source automata"}, "tool": "search_value", "answer": {"categories": "math.CO"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which subject category is assigned to the paper titled {}?"}
{"question": "Determine the ethane production yield when the H2O(g) collected is none and the CH4/O2 ratio is 0,55.", "refer_dataset": "table27", "column names": ["C2H6 yield(%)", "H2O(g)", "CH4/O2 ratio"], "condition_column": ["C2H6 yield(%)", "H2O(g)"], "answer_column": ["CH4/O2 ratio"], "condition": {"C2H6 yield(%)": "none", "H2O(g)": "0,55"}, "tool": "search_value", "answer": {"CH4/O2 ratio": "3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the ethane production yield when the H2O(g) collected is {} and the CH4/O2 ratio is {}."}
{"question": "Identify the space group number of a material with shear modulus (G) na GPa and formula TbMnSi.", "refer_dataset": "table47", "column names": ["shear_modulus_gv", "formula", "spg_number"], "condition_column": ["shear_modulus_gv", "formula"], "answer_column": ["spg_number"], "condition": {"shear_modulus_gv": "na", "formula": "TbMnSi"}, "tool": "search_value", "answer": {"spg_number": "62"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the space group number of a material with shear modulus (G) {} GPa and formula {}."}
{"question": "Identify the material ID corresponding to a source identifier of mp-30033 and total magnetization of 0.24874.", "refer_dataset": "table67", "column names": ["source_id", "total_magnetization", "material_id"], "condition_column": ["source_id", "total_magnetization"], "answer_column": ["material_id"], "condition": {"source_id": "mp-30033", "total_magnetization": "0.24874"}, "tool": "search_value", "answer": {"material_id": "2dm-1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the material ID corresponding to a source identifier of {} and total magnetization of {}."}
{"question": "Determine the ethane production yield when the H2O(g) collected is none and the CH4/O2 ratio is 0,45.", "refer_dataset": "table27", "column names": ["C2H6 yield(%)", "H2O(g)", "CH4/O2 ratio"], "condition_column": ["C2H6 yield(%)", "H2O(g)"], "answer_column": ["CH4/O2 ratio"], "condition": {"C2H6 yield(%)": "none", "H2O(g)": "0,45"}, "tool": "search_value", "answer": {"CH4/O2 ratio": "3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the ethane production yield when the H2O(g) collected is {} and the CH4/O2 ratio is {}."}
{"question": "If the B3LYP HOMO is -0.187, LUMO is -0.1, and gap is 0.087, what is the Scharber PCE?", "refer_dataset": "table51", "column names": ["b3lyp_homo", "b3lyp_lumo", "b3lyp_gap", "b3lyp_scharber_pce"], "condition_column": ["b3lyp_homo", "b3lyp_lumo", "b3lyp_gap"], "answer_column": ["b3lyp_scharber_pce"], "condition": {"b3lyp_homo": "-0.187", "b3lyp_lumo": "-0.1", "b3lyp_gap": "0.087"}, "tool": "search_value", "answer": {"b3lyp_scharber_pce": "1.64273248816"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If the B3LYP HOMO is {}, LUMO is {}, and gap is {}, what is the Scharber PCE?"}
{"question": "What is the Goldschmidt tolerance factor for the material composed of Ba1Sr7V8O24?", "refer_dataset": "table37", "column names": ["Material Composition", "goldschmidt_TF"], "condition_column": ["Material Composition"], "answer_column": ["goldschmidt_TF"], "condition": {"Material Composition": "Ba1Sr7V8O24"}, "tool": "search_value", "answer": {"goldschmidt_TF": "1.02182286751"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Goldschmidt tolerance factor for the material composed of {}?"}
{"question": "What is the shear modulus of a material with elastic anisotropy -6.375454845180035 and formula Si?", "refer_dataset": "table56", "column names": ["elastic anisotropy", "formula", "shear modulus"], "condition_column": ["elastic anisotropy", "formula"], "answer_column": ["shear modulus"], "condition": {"elastic anisotropy": "-6.375454845180035", "formula": "Si"}, "tool": "search_value", "answer": {"shear modulus": "-27.758493782833494"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the shear modulus of a material with elastic anisotropy {} and formula {}?"}
{"question": "What is the Gibbs free energy (G) of the molecule with the optimized structure C=O?", "refer_dataset": "table61", "column names": ["SMILES_relaxed", "G"], "condition_column": ["SMILES_relaxed"], "answer_column": ["G"], "condition": {"SMILES_relaxed": "C=O"}, "tool": "search_value", "answer": {"G": "5.90378031726968"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Gibbs free energy (G) of the molecule with the optimized structure {}?"}
{"question": "Find the partial pressure of argon (Par) when the methane partial pressure (Pch4) is 0.3, oxygen partial pressure (Po2) is 0.06, and temperature is 850°C.", "refer_dataset": "table28", "column names": ["Pch4", "Po2", "Temperature", "Par"], "condition_column": ["Pch4", "Po2", "Temperature"], "answer_column": ["Par"], "condition": {"Pch4": "0.3", "Po2": "0.06", "Temperature": "850"}, "tool": "search_value", "answer": {"Par": "0.6"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the partial pressure of argon (Par) when the methane partial pressure (Pch4) is {}, oxygen partial pressure (Po2) is {}, and temperature is {}°C."}
{"question": "For the material with ICSD_number 10017, is the band gap calculated via GGA method direct or indirect?", "refer_dataset": "table63", "column names": ["ICSD_number", "Direct_or_indirect"], "condition_column": ["ICSD_number"], "answer_column": ["Direct_or_indirect"], "condition": {"ICSD_number": "10017"}, "tool": "search_value", "answer": {"Direct_or_indirect": "Null"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with ICSD_number {}, is the band gap calculated via GGA method direct or indirect?"}
{"question": "Which chemical element symbol has a vacancy formation factor of ['V,2,2.494'] in the bulk material V?", "refer_dataset": "table68", "column names": ["ff_vac", "bulk_formula", "symbol"], "condition_column": ["ff_vac", "bulk_formula"], "answer_column": ["symbol"], "condition": {"ff_vac": "['V,2,2.494']", "bulk_formula": "V"}, "tool": "search_value", "answer": {"symbol": "V"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which chemical element symbol has a vacancy formation factor of {} in the bulk material {}?"}
{"question": "What is the Catalyst loading (g/l) for a photocatalyst with an SBET of 14.53 m²/g?", "refer_dataset": "table10", "column names": ["SBET (m2 /g)", "loading (g/l)"], "condition_column": ["SBET (m2 /g)"], "answer_column": ["loading (g/l)"], "condition": {"SBET (m2 /g)": "14.53"}, "tool": "search_value", "answer": {"loading (g/l)": "0.25"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Catalyst loading (g/l) for a photocatalyst with an SBET of {} m²/g?"}
{"question": "What is the surface identifier key for element Pd on surface -211 with reaction energy -0.447 eV?", "refer_dataset": "table18", "column names": ["AA", "surfaces", "reaction_energy", "surfaces_key"], "condition_column": ["AA", "surfaces", "reaction_energy"], "answer_column": ["surfaces_key"], "condition": {"AA": "Pd", "surfaces": "-211", "reaction_energy": "-0.447"}, "tool": "search_value", "answer": {"surfaces_key": "5"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the surface identifier key for element {} on surface {} with reaction energy {} eV?"}
{"question": "When was the article with DOI 10.1016/j.nanoen.2015.10.014 added to the database?", "refer_dataset": "table13", "column names": ["DOI", "Indexed_Date"], "condition_column": ["DOI"], "answer_column": ["Indexed_Date"], "condition": {"DOI": "10.1016/j.nanoen.2015.10.014"}, "tool": "search_value", "answer": {"Indexed_Date": "2015-11-01 00:00:00"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "When was the article with DOI {} added to the database?"}
{"question": "What is the Log_fom value for the perovskite with a tolerance factor of 0.951 and an HSE lattice constant of 5.86 Å?", "refer_dataset": "table49", "column names": ["Tol", "HSE_latt_const", "Log_fom"], "condition_column": ["Tol", "HSE_latt_const"], "answer_column": ["Log_fom"], "condition": {"Tol": "0.951", "HSE_latt_const": "5.86"}, "tool": "search_value", "answer": {"Log_fom": "5.16"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Log_fom value for the perovskite with a tolerance factor of {} and an HSE lattice constant of {} Å?"}
{"question": "Report the exfoliation energy per atom of the material where the total magnetization is -0.0 and the bandgap is 2.9398.", "refer_dataset": "table67", "column names": ["total_magnetization", "bandgap", "exfoliation_energy_per_atom"], "condition_column": ["total_magnetization", "bandgap"], "answer_column": ["exfoliation_energy_per_atom"], "condition": {"total_magnetization": "-0.0", "bandgap": "2.9398"}, "tool": "search_value", "answer": {"exfoliation_energy_per_atom": "0.2176546633333336"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the exfoliation energy per atom of the material where the total magnetization is {} and the bandgap is {}."}
{"question": "How many atomic sites are present in the structure with chemical formula Ac10(BiPb)3?", "refer_dataset": "table44", "column names": ["formula", "nsites"], "condition_column": ["formula"], "answer_column": ["nsites"], "condition": {"formula": "Ac10(BiPb)3"}, "tool": "search_value", "answer": {"nsites": "16"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many atomic sites are present in the structure with chemical formula {}?"}
{"question": "Which reference ID documents the elastic tensor properties of material Ti4Cu3O2 in space group Im-3?", "refer_dataset": "table53", "column names": ["formula", "spg", "ref"], "condition_column": ["formula", "spg"], "answer_column": ["ref"], "condition": {"formula": "Ti4Cu3O2", "spg": "Im-3"}, "tool": "search_value", "answer": {"ref": "mvc-11034"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which reference ID documents the elastic tensor properties of material {} in space group {}?"}
{"question": "What PBE0 method details describe an entry with a HOMO-LUMO gap of 0.176?", "refer_dataset": "table51", "column names": ["pbe0_gap", "pbe0_description"], "condition_column": ["pbe0_gap"], "answer_column": ["pbe0_description"], "condition": {"pbe0_gap": "0.176"}, "tool": "search_value", "answer": {"pbe0_description": "QChem PBE0/def2-SVP DFT"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What PBE0 method details describe an entry with a HOMO-LUMO gap of {}?"}
{"question": "Find the pore limiting diameter of the MOF with ID hMOF-5024984, maximum adsorption 11.2144, and volumetric surface area 2377.3 m²/cm³.", "refer_dataset": "table50", "column names": ["id", "max_co2_adsp", "surface_area_m2cm3", "pld"], "condition_column": ["id", "max_co2_adsp", "surface_area_m2cm3"], "answer_column": ["pld"], "condition": {"id": "hMOF-5024984", "max_co2_adsp": "11.2144", "surface_area_m2cm3": "2377.3"}, "tool": "search_value", "answer": {"pld": "5.25"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the pore limiting diameter of the MOF with ID {}, maximum adsorption {}, and volumetric surface area {} m²/cm³."}
{"question": "Which Metal 2 component (M2) is paired with Temp 850.0℃ and Support MgO to achieve 29.0% C₂ selectivity?", "refer_dataset": "table23", "column names": ["Temp. (℃)", "Support", "C2 selectivity (%)", "M2"], "condition_column": ["Temp. (℃)", "Support", "C2 selectivity (%)"], "answer_column": ["M2"], "condition": {"Temp. (℃)": "850.0", "Support": "MgO", "C2 selectivity (%)": "29.0"}, "tool": "search_value", "answer": {"M2": "Mn"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which Metal 2 component (M2) is paired with Temp {}℃ and Support {} to achieve {}% C₂ selectivity?"}
{"question": "Report the source identifier for the material where the bandgap is 1.1619.", "refer_dataset": "table67", "column names": ["bandgap", "source_id"], "condition_column": ["bandgap"], "answer_column": ["source_id"], "condition": {"bandgap": "1.1619"}, "tool": "search_value", "answer": {"source_id": "mp-23229"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the source identifier for the material where the bandgap is {}."}
{"question": "Which molecular formula has a photocatalyst dose of La0.925Sr0.075Fe0.925Ti0.075O3 g L-1?", "refer_dataset": "table1", "column names": ["Molecular formula", "Photocatalyst dose(g L-1)"], "condition_column": ["Molecular formula"], "answer_column": ["Photocatalyst dose(g L-1)"], "condition": {"Molecular formula": "La0.925Sr0.075Fe0.925Ti0.075O3"}, "tool": "search_value", "answer": {"Photocatalyst dose(g L-1)": "1.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which molecular formula has a photocatalyst dose of {} g L-1?"}
{"question": "What is the melting point (in Kelvin) of the element with symbol N?", "refer_dataset": "table36", "column names": ["Symbol", "MP (K)"], "condition_column": ["Symbol"], "answer_column": ["MP (K)"], "condition": {"Symbol": "N"}, "tool": "search_value", "answer": {"MP (K)": "63.15"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the melting point (in Kelvin) of the element with symbol {}?"}
{"question": "Determine the Framework Density 1 parameter (FD1) for a study where the Molar Ratio 1 (MR1) is 14.6.", "refer_dataset": "table40", "column names": ["FD1", "MR1"], "condition_column": ["FD1"], "answer_column": ["MR1"], "condition": {"FD1": "14.6"}, "tool": "search_value", "answer": {"MR1": "12.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the Framework Density 1 parameter (FD1) for a study where the Molar Ratio 1 (MR1) is {}."}
{"question": "For a material that has a refractive index of 2.09 and a PBE mixing energy of 0.0 eV, what is the HSE mixing energy?", "refer_dataset": "table49", "column names": ["Ref_ind", "PBE_mix_energy", "HSE_mix_energy"], "condition_column": ["Ref_ind", "PBE_mix_energy"], "answer_column": ["HSE_mix_energy"], "condition": {"Ref_ind": "2.09", "PBE_mix_energy": "0.0"}, "tool": "search_value", "answer": {"HSE_mix_energy": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a material that has a refractive index of {} and a PBE mixing energy of {} eV, what is the HSE mixing energy?"}
{"question": "What is the enthalpy of formation at 0K (kJ/mol) for the compound with species H2OHCOOH and HOMO energy level -0.28615 eV?", "refer_dataset": "table46", "column names": ["species", "homo", "enthalpy_formation_0K"], "condition_column": ["species", "homo"], "answer_column": ["enthalpy_formation_0K"], "condition": {"species": "H2OHCOOH", "homo": "-0.28615"}, "tool": "search_value", "answer": {"enthalpy_formation_0K": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the enthalpy of formation at 0K (kJ/mol) for the compound with species {} and HOMO energy level {} eV?"}
{"question": "Determine the Framework Density 1 parameter (FD1) for a study where the Molar Ratio 1 (MR1) is 13.4.", "refer_dataset": "table40", "column names": ["FD1", "MR1"], "condition_column": ["FD1"], "answer_column": ["MR1"], "condition": {"FD1": "13.4"}, "tool": "search_value", "answer": {"MR1": "10.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the Framework Density 1 parameter (FD1) for a study where the Molar Ratio 1 (MR1) is {}."}
{"question": "What is the ID of the material containing formula I2Sr and having formula_energy -1.96230178667?", "refer_dataset": "table64", "column names": ["formula", "formula_energy", "id"], "condition_column": ["formula", "formula_energy"], "answer_column": ["id"], "condition": {"formula": "I2Sr", "formula_energy": "-1.96230178667"}, "tool": "search_value", "answer": {"id": "1223"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ID of the material containing formula {} and having formula_energy {}?"}
{"question": "Determine catalyst weight (g/L) for materials with bandgap 2.61 eV and surface area 131.0 m²/g.", "refer_dataset": "table4", "column names": ["BandGap(eV)", "Surface Area(m2/g)", "CatW(g/L)"], "condition_column": ["BandGap(eV)", "Surface Area(m2/g)"], "answer_column": ["CatW(g/L)"], "condition": {"BandGap(eV)": "2.61", "Surface Area(m2/g)": "131.0"}, "tool": "search_value", "answer": {"CatW(g/L)": "0.66"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine catalyst weight (g/L) for materials with bandgap {} eV and surface area {} m²/g."}
{"question": "Which element occupies the primary B site position in the compound Ba2Gd6Fe8O24?", "refer_dataset": "table35", "column names": ["Material Composition", "B site #1"], "condition_column": ["Material Composition"], "answer_column": ["B site #1"], "condition": {"Material Composition": "Ba2Gd6Fe8O24"}, "tool": "search_value", "answer": {"B site #1": "Fe"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which element occupies the primary B site position in the compound {}?"}
{"question": "Provide the reference identifier for the perovskite compound HTiNbO5 that has primary A site H and cycle3 measurement 386.7.", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "A site", "cycle3", "Ref"], "condition_column": ["Full Name of Perovskite", "A site", "cycle3"], "answer_column": ["Ref"], "condition": {"Full Name of Perovskite": "HTiNbO5", "A site": "H", "cycle3": "386.7"}, "tool": "search_value", "answer": {"Ref": "[A152]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the reference identifier for the perovskite compound {} that has primary A site {} and cycle3 measurement {}."}
{"question": "What is the C₂ yield (%) for a CH4/O2 ratio of 4.0 with Support TiO2 and PAr 0.7 atm?", "refer_dataset": "table23", "column names": ["CH4/O2 (mol/mol)", "Support", "PAr (atm)", "C2 yield (%)"], "condition_column": ["CH4/O2 (mol/mol)", "Support", "PAr (atm)"], "answer_column": ["C2 yield (%)"], "condition": {"CH4/O2 (mol/mol)": "4.0", "Support": "TiO2", "PAr (atm)": "0.7"}, "tool": "search_value", "answer": {"C2 yield (%)": "2.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the C₂ yield (%) for a CH4/O2 ratio of {} with Support {} and PAr {} atm?"}
{"question": "Find the Platinum (Pt) content in the HEA alloy where Gold (Au) is 5.7%, and Onset potential is 0.49098 V.", "refer_dataset": "table15", "column names": ["Au", "Onset", "Pt"], "condition_column": ["Au", "Onset"], "answer_column": ["Pt"], "condition": {"Au": "5.7", "Onset": "0.49098"}, "tool": "search_value", "answer": {"Pt": "22.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Platinum (Pt) content in the HEA alloy where Gold (Au) is {}%, and Onset potential is {} V."}
{"question": "Determine the activation energy (eV) for element W( (atomic number 74) on surface identifier 3.", "refer_dataset": "table18", "column names": ["AA", "A_AtimicN", "surfaces_key", "activation_energy"], "condition_column": ["AA", "A_AtimicN", "surfaces_key"], "answer_column": ["activation_energy"], "condition": {"AA": "W(", "A_AtimicN": "74", "surfaces_key": "3"}, "tool": "search_value", "answer": {"activation_energy": "0.36"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the activation energy (eV) for element {} (atomic number {}) on surface identifier {}."}
{"question": "What reaction energy (eV) occurs for carbon species C* (key 3) on element Ru?", "refer_dataset": "table18", "column names": ["b", "b_key", "AA", "reaction_energy"], "condition_column": ["b", "b_key", "AA"], "answer_column": ["reaction_energy"], "condition": {"b": "C*", "b_key": "3", "AA": "Ru"}, "tool": "search_value", "answer": {"reaction_energy": "0.031"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reaction energy (eV) occurs for carbon species {} (key {}) on element {}?"}
{"question": "Which job ID corresponds to studies using the Pt.set potential?", "refer_dataset": "table53", "column names": ["func", "jid"], "condition_column": ["func"], "answer_column": ["jid"], "condition": {"func": "Pt.set"}, "tool": "search_value", "answer": {"jid": "JLMP-1754"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which job ID corresponds to studies using the {} potential?"}
{"question": "What is the dipole moment (mu) of the sample identified by 9?", "refer_dataset": "table61", "column names": ["id", "mu"], "condition_column": ["id"], "answer_column": ["mu"], "condition": {"id": "9"}, "tool": "search_value", "answer": {"mu": "-1.30193535262703"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the dipole moment (mu) of the sample identified by {}?"}
{"question": "Identify the ID assigned to the compound with formula BeH2 and energy value -0.0656403766667.", "refer_dataset": "table64", "column names": ["formula", "formula_energy", "id"], "condition_column": ["formula", "formula_energy"], "answer_column": ["id"], "condition": {"formula": "BeH2", "formula_energy": "-0.0656403766667"}, "tool": "search_value", "answer": {"id": "218"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the ID assigned to the compound with formula {} and energy value {}."}
{"question": "What Illumination time(min) is needed for 52.0% degradation of MB at pH 3.0?", "refer_dataset": "table8", "column names": ["Degradation rate(%)", "Pollutant", "pH", "Illumination time(min)"], "condition_column": ["Degradation rate(%)", "Pollutant", "pH"], "answer_column": ["Illumination time(min)"], "condition": {"Degradation rate(%)": "52.0", "Pollutant": "MB", "pH": "3.0"}, "tool": "search_value", "answer": {"Illumination time(min)": "40"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What Illumination time(min) is needed for {}% degradation of {} at pH {}?"}
{"question": "What is the measured numerical value for the composition YIG(A?", "refer_dataset": "table32", "column names": ["composition", "value"], "condition_column": ["composition"], "answer_column": ["value"], "condition": {"composition": "YIG(A"}, "tool": "search_value", "answer": {"value": "45"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the measured numerical value for the composition {}?"}
{"question": "Which subject category is assigned to the paper titled Calculation of prompt diphoton production cross sections at Tevatron and\n  LHC energies?", "refer_dataset": "table45", "column names": ["title", "categories"], "condition_column": ["title"], "answer_column": ["categories"], "condition": {"title": "Calculation of prompt diphoton production cross sections at Tevatron and\n  LHC energies"}, "tool": "search_value", "answer": {"categories": "hep-ph"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which subject category is assigned to the paper titled {}?"}
{"question": "Find the electronegativity of element B (χpb) if the radius ratio (Ra/Rb) is 1.87, ionization energy of A (I1a) is 5.139, and tolerance factor (t) is 0.92.", "refer_dataset": "table2", "column names": ["Ra/Rb", "I1a", "t", "χpb"], "condition_column": ["Ra/Rb", "I1a", "t"], "answer_column": ["χpb"], "condition": {"Ra/Rb": "1.87", "I1a": "5.139", "t": "0.92"}, "tool": "search_value", "answer": {"χpb": "1.54"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the electronegativity of element B (χpb) if the radius ratio (Ra/Rb) is {}, ionization energy of A (I1a) is {}, and tolerance factor (t) is {}."}
{"question": "Find the sulfate ion relationships: What CO3 ion concentration occurs at polymer type PSS, temperature 68 C, and surfactant 0.0%?", "refer_dataset": "table42", "column names": ["Polymer type", "Temperature, C", "Surfactant, % wt.", "CO3 ion, mM"], "condition_column": ["Polymer type", "Temperature, C", "Surfactant, % wt."], "answer_column": ["CO3 ion, mM"], "condition": {"Polymer type": "PSS", "Temperature, C": "68", "Surfactant, % wt.": "0.0"}, "tool": "search_value", "answer": {"CO3 ion, mM": "0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the sulfate ion relationships: What CO3 ion concentration occurs at polymer type {}, temperature {} C, and surfactant {}%?"}
{"question": "What is the CO₂ adsorption pressure (bar) for an MOF with absolute adsorption of [0.0239195, 0.11422199999999999, 0.24851199999999998, 1.21076, 4.18618]?", "refer_dataset": "table50", "column names": ["co2_absp", "co2_pressures"], "condition_column": ["co2_absp"], "answer_column": ["co2_pressures"], "condition": {"co2_absp": "[0.0239195, 0.11422199999999999, 0.24851199999999998, 1.21076, 4.18618]"}, "tool": "search_value", "answer": {"co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CO₂ adsorption pressure (bar) for an MOF with absolute adsorption of {}?"}
{"question": "What direct/indirect classification does HSE give for materials with SNUMAT_id SM-2980 that have FM magnetic ordering?", "refer_dataset": "table63", "column names": ["SNUMAT_id", "Magnetic_ordering", "Direct_or_indirect_HSE"], "condition_column": ["SNUMAT_id", "Magnetic_ordering"], "answer_column": ["Direct_or_indirect_HSE"], "condition": {"SNUMAT_id": "SM-2980", "Magnetic_ordering": "FM"}, "tool": "search_value", "answer": {"Direct_or_indirect_HSE": "Indirect"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What direct/indirect classification does HSE give for materials with SNUMAT_id {} that have {} magnetic ordering?"}
{"question": "What enthalpy (H) corresponds to the material with Gibbs free energy (G) of -27.37781143188477?", "refer_dataset": "table60", "column names": ["G", "H"], "condition_column": ["G"], "answer_column": ["H"], "condition": {"G": "-27.37781143188477"}, "tool": "search_value", "answer": {"H": "-29.38081359863281"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What enthalpy (H) corresponds to the material with Gibbs free energy (G) of {}?"}
{"question": "What is the RH2 value for a photocatalyst synthesized via 62.0 at Flux-growth K with a light intensity of 1273.0 W?", "refer_dataset": "table1", "column names": ["RH2(µmol h-1 g-1)", "Preparation method", "Calcination temperature(K)", "Light intensity(W)"], "condition_column": ["RH2(µmol h-1 g-1)", "Preparation method", "Calcination temperature(K)"], "answer_column": ["Light intensity(W)"], "condition": {"RH2(µmol h-1 g-1)": "62.0", "Preparation method": "Flux-growth", "Calcination temperature(K)": "1273.0"}, "tool": "search_value", "answer": {"Light intensity(W)": "Xe lamp (300 W), λ > 420 nm"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the RH2 value for a photocatalyst synthesized via {} at {} K with a light intensity of {} W?"}
{"question": "What is the electron affinity of element A (EAa) when composition AgTaO3 has a bandgap (Eg) of 3.4 eV and density of A (ρa) is 10.5?", "refer_dataset": "table2", "column names": ["Materials", "Eg(eV)", "ρa", "EAa"], "condition_column": ["Materials", "Eg(eV)", "ρa"], "answer_column": ["EAa"], "condition": {"Materials": "AgTaO3", "Eg(eV)": "3.4", "ρa": "10.5"}, "tool": "search_value", "answer": {"EAa": "125.6"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electron affinity of element A (EAa) when composition {} has a bandgap (Eg) of {} eV and density of A (ρa) is {}?"}
{"question": "How many elements are present in the compound with the formula Ga2Os1?", "refer_dataset": "table31", "column names": ["0", "3"], "condition_column": ["0"], "answer_column": ["3"], "condition": {"0": "Ga2Os1"}, "tool": "search_value", "answer": {"3": "2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many elements are present in the compound with the formula {}?"}
{"question": "Identify the Methane adsorption energy (CH4Ead) for the material with Composition BeF.", "refer_dataset": "table24", "column names": ["Composition", "CH4Ead"], "condition_column": ["Composition"], "answer_column": ["CH4Ead"], "condition": {"Composition": "BeF"}, "tool": "search_value", "answer": {"CH4Ead": "0.4464098211"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the Methane adsorption energy (CH4Ead) for the material with Composition {}."}
{"question": "Which secondary cation occupies the A2 site in the perovskite material BaIn0.5Nb0.5O3?", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "A2 site"], "condition_column": ["Full Name of Perovskite"], "answer_column": ["A2 site"], "condition": {"Full Name of Perovskite": "BaIn0.5Nb0.5O3"}, "tool": "search_value", "answer": {"A2 site": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which secondary cation occupies the A2 site in the perovskite material {}?"}
{"question": "Report the ID of the material characterized by formula B2Th1 and Tc 0.0.", "refer_dataset": "table65", "column names": ["formula", "Tc", "id"], "condition_column": ["formula", "Tc"], "answer_column": ["id"], "condition": {"formula": "B2Th1", "Tc": "0.0"}, "tool": "search_value", "answer": {"id": "14309"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the ID of the material characterized by formula {} and Tc {}."}
{"question": "Which SMILES notation corresponds to an OSDA with a mean asphericity of 0.8710827365183884?", "refer_dataset": "table41", "column names": ["asphericity_mean_0", "osda smiles"], "condition_column": ["asphericity_mean_0"], "answer_column": ["osda smiles"], "condition": {"asphericity_mean_0": "0.8710827365183884"}, "tool": "search_value", "answer": {"osda smiles": "C(CCCC[N+]12CCN(CC1)CC2)CCC[N+]12CCN(CC1)CC2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which SMILES notation corresponds to an OSDA with a mean asphericity of {}?"}
{"question": "Which primary metal (M1) is used with the support material Sc?", "refer_dataset": "table28", "column names": ["Support", "M1"], "condition_column": ["Support"], "answer_column": ["M1"], "condition": {"Support": "Sc"}, "tool": "search_value", "answer": {"M1": "none"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which primary metal (M1) is used with the support material {}?"}
{"question": "Provide the atomic energy (atom_en) for the entry using the -4.80599 method.", "refer_dataset": "table58", "column names": ["atom_en", "method"], "condition_column": ["atom_en"], "answer_column": ["method"], "condition": {"atom_en": "-4.80599"}, "tool": "search_value", "answer": {"method": "minima-hopping"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the atomic energy (atom_en) for the entry using the {} method."}
{"question": "What is the superconducting transition temperature (Tc) of the material with ID 14511?", "refer_dataset": "table65", "column names": ["id", "Tc"], "condition_column": ["id"], "answer_column": ["Tc"], "condition": {"id": "14511"}, "tool": "search_value", "answer": {"Tc": "55.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the superconducting transition temperature (Tc) of the material with ID {}?"}
{"question": "What is the radiation wavelength used in the structure determination of file 1000037?", "refer_dataset": "table38", "column names": ["file", "wavelength"], "condition_column": ["file"], "answer_column": ["wavelength"], "condition": {"file": "1000037"}, "tool": "search_value", "answer": {"wavelength": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the radiation wavelength used in the structure determination of file {}?"}
{"question": "What is the Wyckoff position notation linked to entry ID JVASP-25104_Cl_f?", "refer_dataset": "table68", "column names": ["id", "wycoff"], "condition_column": ["id"], "answer_column": ["wycoff"], "condition": {"id": "JVASP-25104_Cl_f"}, "tool": "search_value", "answer": {"wycoff": "f"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Wyckoff position notation linked to entry ID {}?"}
{"question": "What is the initial concentration (mg/L) of n-Nitrosodimethylamine tested with nanoparticle dose 1.0 g/L?", "refer_dataset": "table9", "column names": ["OC", "D, g/L", "C0, mg/L"], "condition_column": ["OC", "D, g/L"], "answer_column": ["C0, mg/L"], "condition": {"OC": "n-Nitrosodimethylamine", "D, g/L": "1.0"}, "tool": "search_value", "answer": {"C0, mg/L": "2.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the initial concentration (mg/L) of {} tested with nanoparticle dose {} g/L?"}
{"question": "Which adsorbed species relates to identifier 20 in ab_key?", "refer_dataset": "table18", "column names": ["ab_key", "ab"], "condition_column": ["ab_key"], "answer_column": ["ab"], "condition": {"ab_key": "20"}, "tool": "search_value", "answer": {"ab": "CH3CH3*"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which adsorbed species relates to identifier {} in ab_key?"}
{"question": "What is the valence band maximum (VBM) if the conduction band minimum (CBM) is 4.5854?", "refer_dataset": "table52", "column names": ["optb88vdw_cbm", "optb88vdw_vbm"], "condition_column": ["optb88vdw_cbm"], "answer_column": ["optb88vdw_vbm"], "condition": {"optb88vdw_cbm": "4.5854"}, "tool": "search_value", "answer": {"optb88vdw_vbm": "5.2089"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the valence band maximum (VBM) if the conduction band minimum (CBM) is {}?"}
{"question": "What is the electronic spatial extent (r2) for a material with identifier 3.0 and dipole moment 0.0?", "refer_dataset": "table60", "column names": ["id", "mu", "r2"], "condition_column": ["id", "mu"], "answer_column": ["r2"], "condition": {"id": "3.0", "mu": "0.0"}, "tool": "search_value", "answer": {"r2": "59.52479934692383"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic spatial extent (r2) for a material with identifier {} and dipole moment {}?"}
{"question": "Determine the CO₂ pressure value for an MOF ID hMOF-16554 with surface area 3670.2 m²/g and maximum adsorption 4.18618.", "refer_dataset": "table50", "column names": ["id", "surface_area_m2g", "max_co2_adsp", "co2_pressures"], "condition_column": ["id", "surface_area_m2g", "max_co2_adsp"], "answer_column": ["co2_pressures"], "condition": {"id": "hMOF-16554", "surface_area_m2g": "3670.2", "max_co2_adsp": "4.18618"}, "tool": "search_value", "answer": {"co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the CO₂ pressure value for an MOF ID {} with surface area {} m²/g and maximum adsorption {}."}
{"question": "Which reference tested organic compound 1,4-Dioxane under both light intensity 1.4 mW/cm² and dose 1.0 g/L?", "refer_dataset": "table9", "column names": ["OC", "I, mW/cm2", "D, g/L", "Ref"], "condition_column": ["OC", "I, mW/cm2", "D, g/L"], "answer_column": ["Ref"], "condition": {"OC": "1,4-Dioxane", "I, mW/cm2": "1.4", "D, g/L": "1.0"}, "tool": "search_value", "answer": {"Ref": "18"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which reference tested organic compound {} under both light intensity {} mW/cm² and dose {} g/L?"}
{"question": "Which database contains the compound abbreviation Al3CeNi2?", "refer_dataset": "table31", "column names": ["1", "7"], "condition_column": ["1"], "answer_column": ["7"], "condition": {"1": "Al3CeNi2"}, "tool": "search_value", "answer": {"7": "OQMD"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which database contains the compound abbreviation {}?"}
{"question": "What is the radiation wavelength used in the structure determination of file 1000001?", "refer_dataset": "table38", "column names": ["file", "wavelength"], "condition_column": ["file"], "answer_column": ["wavelength"], "condition": {"file": "1000001"}, "tool": "search_value", "answer": {"wavelength": "1.5418"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the radiation wavelength used in the structure determination of file {}?"}
{"question": "Which country's institution is associated with the article having DOI 10.1016/j.apsusc.2019.143710?", "refer_dataset": "table13", "column names": ["DOI", "Country"], "condition_column": ["DOI"], "answer_column": ["Country"], "condition": {"DOI": "10.1016/j.apsusc.2019.143710"}, "tool": "search_value", "answer": {"Country": "Peoples R China"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which country's institution is associated with the article having DOI {}?"}
{"question": "Which catalyst support material is used when the C₂ yield is 16.1%?", "refer_dataset": "table23", "column names": ["C2 yield (%)", "Support"], "condition_column": ["C2 yield (%)"], "answer_column": ["Support"], "condition": {"C2 yield (%)": "16.1"}, "tool": "search_value", "answer": {"Support": "MgO"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which catalyst support material is used when the C₂ yield is {}%?"}
{"question": "Does the d-metal material family catalyst labeled Ag in IL exhibit surface strain? (0=no, 1=yes)", "refer_dataset": "table12", "column names": ["Material Family", "Catalyst label", "Surface Strain"], "condition_column": ["Material Family", "Catalyst label"], "answer_column": ["Surface Strain"], "condition": {"Material Family": "d-metal", "Catalyst label": "Ag in IL"}, "tool": "search_value", "answer": {"Surface Strain": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Does the {} material family catalyst labeled {} exhibit surface strain? (0=no, 1=yes)"}
{"question": "What is the CO yield percentage at a CH4/O2 ratio of 13,4?", "refer_dataset": "table27", "column names": ["CO yield(%)", "CH4/O2 ratio"], "condition_column": ["CO yield(%)"], "answer_column": ["CH4/O2 ratio"], "condition": {"CO yield(%)": "13,4"}, "tool": "search_value", "answer": {"CH4/O2 ratio": "1,8"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CO yield percentage at a CH4/O2 ratio of {}?"}
{"question": "Which material family does the catalyst Electrodeposited Sn belong to?", "refer_dataset": "table12", "column names": ["Catalyst label", "Material Family"], "condition_column": ["Catalyst label"], "answer_column": ["Material Family"], "condition": {"Catalyst label": "Electrodeposited Sn"}, "tool": "search_value", "answer": {"Material Family": "p-metal/(hydro)oxide"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which material family does the catalyst {} belong to?"}
{"question": "Return the source identifier for the compound with total magnetization 4.0015537.", "refer_dataset": "table67", "column names": ["total_magnetization", "source_id"], "condition_column": ["total_magnetization"], "answer_column": ["source_id"], "condition": {"total_magnetization": "4.0015537"}, "tool": "search_value", "answer": {"source_id": "mp-567624"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Return the source identifier for the compound with total magnetization {}."}
{"question": "Which compound with elements ['Ac', 'Sn', 'Sb'] and direct band gap of 0.0 eV has the lowest total magnetization?", "refer_dataset": "table44", "column names": ["elements", "band_gap_dir", "total_mag"], "condition_column": ["elements", "band_gap_dir"], "answer_column": ["total_mag"], "condition": {"elements": "['Ac', 'Sn', 'Sb']", "band_gap_dir": "0.0"}, "tool": "search_value", "answer": {"total_mag": "0.0002637"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which compound with elements {} and direct band gap of {} eV has the lowest total magnetization?"}
{"question": "What is the nanoparticle dose (g/L) applied for Tris-2-chloroethyl phosphate under pH 7.0?", "refer_dataset": "table9", "column names": ["OC", "pH", "D, g/L"], "condition_column": ["OC", "pH"], "answer_column": ["D, g/L"], "condition": {"OC": "Tris-2-chloroethyl phosphate", "pH": "7.0"}, "tool": "search_value", "answer": {"D, g/L": "0.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the nanoparticle dose (g/L) applied for {} under pH {}?"}
{"question": "Provide the average maximum potential (avg_max) for surface structure Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP.", "refer_dataset": "table66", "column names": ["name", "avg_max"], "condition_column": ["name"], "answer_column": ["avg_max"], "condition": {"name": "Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"avg_max": "13.323995191034284"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the average maximum potential (avg_max) for surface structure {}."}
{"question": "What is the secondary A2 site cation in the perovskite compound Cd0.5Zn0.5S, which has a cycle5 performance of -?", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "cycle5", "A2 site"], "condition_column": ["Full Name of Perovskite", "cycle5"], "answer_column": ["A2 site"], "condition": {"Full Name of Perovskite": "Cd0.5Zn0.5S", "cycle5": "-"}, "tool": "search_value", "answer": {"A2 site": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary A2 site cation in the perovskite compound {}, which has a cycle5 performance of {}?"}
{"question": "What is the temperature in Kelvin corresponding to a magnetic flux density of 465.2 mT?", "refer_dataset": "table32", "column names": ["mT", "K"], "condition_column": ["mT"], "answer_column": ["K"], "condition": {"mT": "465.2"}, "tool": "search_value", "answer": {"K": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the temperature in Kelvin corresponding to a magnetic flux density of {} mT?"}
{"question": "What is the HOMO energy level (eV) of the compound with the chemical formula NH2COOC2H5?", "refer_dataset": "table46", "column names": ["species", "homo"], "condition_column": ["species"], "answer_column": ["homo"], "condition": {"species": "NH2COOC2H5"}, "tool": "search_value", "answer": {"homo": "-0.26229"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HOMO energy level (eV) of the compound with the chemical formula {}?"}
{"question": "For a material with A-site oxygen (A_O) property 2.63275 and B-site oxygen (B_O) property 2.034, what is the A_B ratio?", "refer_dataset": "table37", "column names": ["A_O", "B_O", "A_B"], "condition_column": ["A_O", "B_O"], "answer_column": ["A_B"], "condition": {"A_O": "2.63275", "B_O": "2.034"}, "tool": "search_value", "answer": {"A_B": "1.86675"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a material with A-site oxygen (A_O) property {} and B-site oxygen (B_O) property {}, what is the A_B ratio?"}
{"question": "What is the atomic radius of element B (Rb) in materials where the first ionization energy of A (I1a) is 5.586 kJ/mol and the molar mass (M) is 238.31 g/mol?", "refer_dataset": "table3", "column names": ["I1a", "M", "Rb"], "condition_column": ["I1a", "M"], "answer_column": ["Rb"], "condition": {"I1a": "5.586", "M": "238.31"}, "tool": "search_value", "answer": {"Rb": "55.9"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the atomic radius of element B (Rb) in materials where the first ionization energy of A (I1a) is {} kJ/mol and the molar mass (M) is {} g/mol?"}
{"question": "What bicarbonate (HCO3) ion concentration results from Ca ion 85 mM, solvent type Ethylene glycol, and synthesis time 44 min 20 sec?", "refer_dataset": "table42", "column names": ["Ca ion, mM", "Solvent type", "Synthesis time", "HCO3 ion, mM"], "condition_column": ["Ca ion, mM", "Solvent type", "Synthesis time"], "answer_column": ["HCO3 ion, mM"], "condition": {"Ca ion, mM": "85", "Solvent type": "Ethylene glycol", "Synthesis time": "44 min 20 sec"}, "tool": "search_value", "answer": {"HCO3 ion, mM": "28"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What bicarbonate (HCO3) ion concentration results from Ca ion {} mM, solvent type {}, and synthesis time {}?"}
{"question": "What is the shear modulus for a material identified by ID mp-100, which has a formation energy (e_form) of 0.1811112450000003?", "refer_dataset": "table54", "column names": ["id", "e_form", "shear modulus"], "condition_column": ["id", "e_form"], "answer_column": ["shear modulus"], "condition": {"id": "mp-100", "e_form": "0.1811112450000003"}, "tool": "search_value", "answer": {"shear modulus": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the shear modulus for a material identified by ID {}, which has a formation energy (e_form) of {}?"}
{"question": "What is the band gap of the material composed of elements ['Ga', 'In']?", "refer_dataset": "table55", "column names": ["elements", "band_gap"], "condition_column": ["elements"], "answer_column": ["band_gap"], "condition": {"elements": "['Ga', 'In']"}, "tool": "search_value", "answer": {"band_gap": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band gap of the material composed of elements {}?"}
{"question": "How does the dopant Fe perform at a mole ratio of 0.0 under 300 minutes of illumination?", "refer_dataset": "table8", "column names": ["Dopant", "Dopant/Ti mole ratio", "Illumination time(min)", "Degradation rate(%)"], "condition_column": ["Dopant", "Dopant/Ti mole ratio", "Illumination time(min)"], "answer_column": ["Degradation rate(%)"], "condition": {"Dopant": "Fe", "Dopant/Ti mole ratio": "0.0", "Illumination time(min)": "300"}, "tool": "search_value", "answer": {"Degradation rate(%)": "69.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How does the dopant {} perform at a mole ratio of {} under {} minutes of illumination?"}
{"question": "What process temperature (°C) corresponds to a conversion yield (C2y) of 824%?", "refer_dataset": "table28", "column names": ["Temperature", "C2y"], "condition_column": ["Temperature"], "answer_column": ["C2y"], "condition": {"Temperature": "824"}, "tool": "search_value", "answer": {"C2y": "10.8"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What process temperature (°C) corresponds to a conversion yield (C2y) of {}%?"}
{"question": "What is the chemical formula of the material with ID 7 and a superconducting transition temperature of 0.0?", "refer_dataset": "table65", "column names": ["id", "Tc", "formula"], "condition_column": ["id", "Tc"], "answer_column": ["formula"], "condition": {"id": "7", "Tc": "0.0"}, "tool": "search_value", "answer": {"formula": "Re0.1W0.9"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula of the material with ID {} and a superconducting transition temperature of {}?"}
{"question": "What is the total energy of a material in space group {'symprec': 0.1, 'source': 'spglib', 'symbol': 'Imm2', 'number': 44, 'point_group': 'mm2', 'crystal_system': 'orthorhombic', 'hall': 'I 2 -2'} with elements ['Fe', 'Li', 'S']?", "refer_dataset": "table55", "column names": ["spacegroup", "elements", "energy"], "condition_column": ["spacegroup", "elements"], "answer_column": ["energy"], "condition": {"spacegroup": "{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Imm2', 'number': 44, 'point_group': 'mm2', 'crystal_system': 'orthorhombic', 'hall': 'I 2 -2'}", "elements": "['Fe', 'Li', 'S']"}, "tool": "search_value", "answer": {"energy": "-47.00399541"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total energy of a material in space group {} with elements {}?"}
{"question": "What is the electronic dielectric constant (diel_elec) for the material with label 3.95713 and unit cell volume SnF2-based_polymer cubic angstroms?", "refer_dataset": "table58", "column names": ["diel_elec", "label", "vol"], "condition_column": ["diel_elec", "label"], "answer_column": ["vol"], "condition": {"diel_elec": "3.95713", "label": "SnF2-based_polymer"}, "tool": "search_value", "answer": {"vol": "157.792"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic dielectric constant (diel_elec) for the material with label {} and unit cell volume {} cubic angstroms?"}
{"question": "How many elements are present in a material with a secondary A site element of Dy, primary B site element of Fe, and energy above hull of 270.007912929 meV/atom?", "refer_dataset": "table35", "column names": ["A site #2", "B site #1", "energy_above_hull (meV/atom)", "Number of elements"], "condition_column": ["A site #2", "B site #1", "energy_above_hull (meV/atom)"], "answer_column": ["Number of elements"], "condition": {"A site #2": "Dy", "B site #1": "Fe", "energy_above_hull (meV/atom)": "270.007912929"}, "tool": "search_value", "answer": {"Number of elements": "4"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many elements are present in a material with a secondary A site element of {}, primary B site element of {}, and energy above hull of {} meV/atom?"}
{"question": "Find the volumetric surface area (m²/cm³) for an MOF with surface area 3400.7 m²/g.", "refer_dataset": "table50", "column names": ["surface_area_m2g", "surface_area_m2cm3"], "condition_column": ["surface_area_m2g"], "answer_column": ["surface_area_m2cm3"], "condition": {"surface_area_m2g": "3400.7"}, "tool": "search_value", "answer": {"surface_area_m2cm3": "1865.9"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the volumetric surface area (m²/cm³) for an MOF with surface area {} m²/g."}
{"question": "Calculate the surfactant percentage required when using polymer PEI with a molecular weight of 25.0 kDa at 76 C.", "refer_dataset": "table42", "column names": ["Polymer type", "Polymer Mwt, kDa", "Temperature, C", "Surfactant, % wt."], "condition_column": ["Polymer type", "Polymer Mwt, kDa", "Temperature, C"], "answer_column": ["Surfactant, % wt."], "condition": {"Polymer type": "PEI", "Polymer Mwt, kDa": "25.0", "Temperature, C": "76"}, "tool": "search_value", "answer": {"Surfactant, % wt.": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the surfactant percentage required when using polymer {} with a molecular weight of {} kDa at {} C."}
{"question": "How many atoms are present in the Mg-F compound with the job identifier JQE-208?", "refer_dataset": "table59", "column names": ["jid", "natoms"], "condition_column": ["jid"], "answer_column": ["natoms"], "condition": {"jid": "JQE-208"}, "tool": "search_value", "answer": {"natoms": "3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many atoms are present in the Mg-F compound with the job identifier {}?"}
{"question": "Determine the crystal system of the Mg-F compound with a job identifier of JQE-3, an energy per atom of -195.3838, and formation energy per atom of 0.1353?", "refer_dataset": "table59", "column names": ["jid", "energy_per_atom", "f_enp", "crystal_system"], "condition_column": ["jid", "energy_per_atom", "f_enp"], "answer_column": ["crystal_system"], "condition": {"jid": "JQE-3", "energy_per_atom": "-195.3838", "f_enp": "0.1353"}, "tool": "search_value", "answer": {"crystal_system": "cubic"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the crystal system of the Mg-F compound with a job identifier of {}, an energy per atom of {}, and formation energy per atom of {}?"}
{"question": "For Composition BeF, what CH4Ead value is observed when the Dope element is F?", "refer_dataset": "table24", "column names": ["Composition", "Dope", "CH4Ead"], "condition_column": ["Composition", "Dope"], "answer_column": ["CH4Ead"], "condition": {"Composition": "BeF", "Dope": "F"}, "tool": "search_value", "answer": {"CH4Ead": "0.4464098211"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For Composition {}, what CH4Ead value is observed when the Dope element is {}?"}
{"question": "Given a valence band maximum (VBM) of 7.1887 and a band alignment offset of -0.5775227899807884, determine the total optimized energy.", "refer_dataset": "table52", "column names": ["optb88vdw_vbm", "offset", "final_energy"], "condition_column": ["optb88vdw_vbm", "offset"], "answer_column": ["final_energy"], "condition": {"optb88vdw_vbm": "7.1887", "offset": "-0.5775227899807884"}, "tool": "search_value", "answer": {"final_energy": "-385.24643015"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a valence band maximum (VBM) of {} and a band alignment offset of {}, determine the total optimized energy."}
{"question": "Determine the elastic anisotropy of a material with formula Hf and e_form of 0.1811112450000003:", "refer_dataset": "table56", "column names": ["formula", "e_form", "elastic anisotropy"], "condition_column": ["formula", "e_form"], "answer_column": ["elastic anisotropy"], "condition": {"formula": "Hf", "e_form": "0.1811112450000003"}, "tool": "search_value", "answer": {"elastic anisotropy": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the elastic anisotropy of a material with formula {} and e_form of {}:"}
{"question": "For material Perov-2, what is the HSE mixing energy?", "refer_dataset": "table49", "column names": ["id", "HSE_mix_energy"], "condition_column": ["id"], "answer_column": ["HSE_mix_energy"], "condition": {"id": "Perov-2"}, "tool": "search_value", "answer": {"HSE_mix_energy": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For material {}, what is the HSE mixing energy?"}
{"question": "What is the Log_fom value for the perovskite with a tolerance factor of 1.032 and an HSE lattice constant of 6.12 Å?", "refer_dataset": "table49", "column names": ["Tol", "HSE_latt_const", "Log_fom"], "condition_column": ["Tol", "HSE_latt_const"], "answer_column": ["Log_fom"], "condition": {"Tol": "1.032", "HSE_latt_const": "6.12"}, "tool": "search_value", "answer": {"Log_fom": "5.2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Log_fom value for the perovskite with a tolerance factor of {} and an HSE lattice constant of {} Å?"}
{"question": "Report the surface conduction band minimum (surf_cbm) of surface structure Surface-JVASP-1372_miller_1_1_0_thickness_16_VASP_PBE_noDP.", "refer_dataset": "table66", "column names": ["name", "surf_cbm"], "condition_column": ["name"], "answer_column": ["surf_cbm"], "condition": {"name": "Surface-JVASP-1372_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"surf_cbm": "0.0159"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the surface conduction band minimum (surf_cbm) of surface structure {}."}
{"question": "What is the ID of the superconducting material exhibiting a Tc of 3.68?", "refer_dataset": "table65", "column names": ["Tc", "id"], "condition_column": ["Tc"], "answer_column": ["id"], "condition": {"Tc": "3.68"}, "tool": "search_value", "answer": {"id": "11249"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ID of the superconducting material exhibiting a Tc of {}?"}
{"question": "Determine the DFT functional used for the material with job ID JVASP-90856 and formation energy per atom of -0.42762 eV.", "refer_dataset": "table47", "column names": ["jid", "formation_energy_peratom", "func"], "condition_column": ["jid", "formation_energy_peratom"], "answer_column": ["func"], "condition": {"jid": "JVASP-90856", "formation_energy_peratom": "-0.42762"}, "tool": "search_value", "answer": {"func": "OptB88vdW"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the DFT functional used for the material with job ID {} and formation energy per atom of {} eV."}
{"question": "For the material Perov-5, what is the logarithm of the figure of merit (Log_fom)?", "refer_dataset": "table49", "column names": ["id", "Log_fom"], "condition_column": ["id"], "answer_column": ["Log_fom"], "condition": {"id": "Perov-5"}, "tool": "search_value", "answer": {"Log_fom": "5.28"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material {}, what is the logarithm of the figure of merit (Log_fom)?"}
{"question": "Provide the modulus of elasticity (10³ Mpa) for the element with atomic radius 1.55 Å.", "refer_dataset": "table36", "column names": ["Atomic Radius (Å)", "Modulus of Elasticity 10³ Mpa"], "condition_column": ["Atomic Radius (Å)"], "answer_column": ["Modulus of Elasticity 10³ Mpa"], "condition": {"Atomic Radius (Å)": "1.55"}, "tool": "search_value", "answer": {"Modulus of Elasticity 10³ Mpa": "10.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the modulus of elasticity (10³ Mpa) for the element with atomic radius {} Å."}
{"question": "What is the HSE calculated band gap for the material identified by Perov-2?", "refer_dataset": "table49", "column names": ["id", "HSE_gap"], "condition_column": ["id"], "answer_column": ["HSE_gap"], "condition": {"id": "Perov-2"}, "tool": "search_value", "answer": {"HSE_gap": "3.32"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HSE calculated band gap for the material identified by {}?"}
{"question": "Find the defective energy value for the job identifier JVASP-14812 and its Wyckoff position c.", "refer_dataset": "table68", "column names": ["jid", "wycoff", "defective_energy"], "condition_column": ["jid", "wycoff"], "answer_column": ["defective_energy"], "condition": {"jid": "JVASP-14812", "wycoff": "c"}, "tool": "search_value", "answer": {"defective_energy": "-69.46942614"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the defective energy value for the job identifier {} and its Wyckoff position {}."}
{"question": "What license type applies to the paper authored by C. Bal\\'azs, E. L. Berger, P. M. Nadolsky, C.-P. Yuan and last updated on 2008-11-26?", "refer_dataset": "table45", "column names": ["authors", "update_date", "license"], "condition_column": ["authors", "update_date"], "answer_column": ["license"], "condition": {"authors": "C. Bal\\'azs, E. L. Berger, P. M. Nadolsky, C.-P. Yuan", "update_date": "2008-11-26"}, "tool": "search_value", "answer": {"license": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What license type applies to the paper authored by {} and last updated on {}?"}
{"question": "Which reaction type is associated with the catalyst NiCo(7:3)/Al2O3?", "refer_dataset": "table30", "column names": ["Catalyst", "ReactionType"], "condition_column": ["Catalyst"], "answer_column": ["ReactionType"], "condition": {"Catalyst": "NiCo(7:3)/Al2O3"}, "tool": "search_value", "answer": {"ReactionType": "methanation"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which reaction type is associated with the catalyst {}?"}
{"question": "What is the Gibbs free energy (G) of a material with dipole moment 0.0 and polarizability 23.950000762939453?", "refer_dataset": "table60", "column names": ["mu", "alpha", "G"], "condition_column": ["mu", "alpha"], "answer_column": ["G"], "condition": {"mu": "0.0", "alpha": "23.950000762939453"}, "tool": "search_value", "answer": {"G": "-27.18616104125977"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Gibbs free energy (G) of a material with dipole moment {} and polarizability {}?"}
{"question": "Which material family does the catalyst N-doped  CNT belong to?", "refer_dataset": "table12", "column names": ["Catalyst label", "Material Family"], "condition_column": ["Catalyst label"], "answer_column": ["Material Family"], "condition": {"Catalyst label": "N-doped  CNT"}, "tool": "search_value", "answer": {"Material Family": "Carbon-based "}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which material family does the catalyst {} belong to?"}
{"question": "Determine the support material (Support) for a catalyst with primary metal atom count (M1_atom_number) of 25, secondary metal (M2) of Na, and CO2 yield (CO2y) of 0.91.", "refer_dataset": "table17", "column names": ["M1_atom_number", "M2", "CO2y", "Support"], "condition_column": ["M1_atom_number", "M2", "CO2y"], "answer_column": ["Support"], "condition": {"M1_atom_number": "25", "M2": "Na", "CO2y": "0.91"}, "tool": "search_value", "answer": {"Support": "BN"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the support material (Support) for a catalyst with primary metal atom count (M1_atom_number) of {}, secondary metal (M2) of {}, and CO2 yield (CO2y) of {}."}
{"question": "What is the direct bandgap energy (eV) for a composition with A_AtomN 81, B element He, and Cn value 1?", "refer_dataset": "table22", "column names": ["A_AtomN", "B", "Cn", "Direct_Band"], "condition_column": ["A_AtomN", "B", "Cn"], "answer_column": ["Direct_Band"], "condition": {"A_AtomN": "81", "B": "He", "Cn": "1"}, "tool": "search_value", "answer": {"Direct_Band": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the direct bandgap energy (eV) for a composition with A_AtomN {}, B element {}, and Cn value {}?"}
{"question": "Which support material is used for the catalyst containing the metal component NiRh?", "refer_dataset": "table29", "column names": ["MetalPart", "Support"], "condition_column": ["MetalPart"], "answer_column": ["Support"], "condition": {"MetalPart": "NiRh"}, "tool": "search_value", "answer": {"Support": "γ-Al2O3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which support material is used for the catalyst containing the metal component {}?"}
{"question": "What is the indirect band gap energy (eV) of the material located at cgat_comp_2/ternaries/A3B3C10/runs/batch-001/Pb/Pb3Bi3Ac10/xxx_02a-00_agm005671431_spg189?", "refer_dataset": "table44", "column names": ["location", "band_gap_ind"], "condition_column": ["location"], "answer_column": ["band_gap_ind"], "condition": {"location": "cgat_comp_2/ternaries/A3B3C10/runs/batch-001/Pb/Pb3Bi3Ac10/xxx_02a-00_agm005671431_spg189"}, "tool": "search_value", "answer": {"band_gap_ind": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the indirect band gap energy (eV) of the material located at {}?"}
{"question": "What is the Yield (μmol/g/h) for a Bi type of PbBiO2Br/GO, light source of UV–VIS, and reaction medium of liquid-solid?", "refer_dataset": "table10", "column names": ["Bi type in photocatalyst", "light source", "Reaction medium", "Yield (μmol/g/h)"], "condition_column": ["Bi type in photocatalyst", "light source", "Reaction medium"], "answer_column": ["Yield (μmol/g/h)"], "condition": {"Bi type in photocatalyst": "PbBiO2Br/GO", "light source": "UV–VIS", "Reaction medium": "liquid-solid"}, "tool": "search_value", "answer": {"Yield (μmol/g/h)": "1.913"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Yield (μmol/g/h) for a Bi type of {}, light source of {}, and reaction medium of {}?"}
{"question": "What is the energy after DFT corrections for the material located at cgat_comp_2/ternaries/A2B3C10/runs/batch-001/Co/Co3In2Ac10/xxx_02a-00_agm005572787_spg12?", "refer_dataset": "table44", "column names": ["location", "energy_corrected"], "condition_column": ["location"], "answer_column": ["energy_corrected"], "condition": {"location": "cgat_comp_2/ternaries/A2B3C10/runs/batch-001/Co/Co3In2Ac10/xxx_02a-00_agm005572787_spg12"}, "tool": "search_value", "answer": {"energy_corrected": "-139.17065"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy after DFT corrections for the material located at {}?"}
{"question": "What is the Base element present in the Composition BeB?", "refer_dataset": "table24", "column names": ["Composition", "Base"], "condition_column": ["Composition"], "answer_column": ["Base"], "condition": {"Composition": "BeB"}, "tool": "search_value", "answer": {"Base": "Be"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Base element present in the Composition {}?"}
{"question": "What is the surface energy (surf_en) of the material with the chemical formula BeAlB?", "refer_dataset": "table66", "column names": ["formula", "surf_en"], "condition_column": ["formula"], "answer_column": ["surf_en"], "condition": {"formula": "BeAlB"}, "tool": "search_value", "answer": {"surf_en": "5.193113419746809"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the surface energy (surf_en) of the material with the chemical formula {}?"}
{"question": "What percentage of Gold (Au) is present in an HEA with Platinum (Pt) at 2.2%, Ruthenium (Ru) at 88.0%, and Onset potential of 0.473971 V?", "refer_dataset": "table15", "column names": ["Pt", "Ru", "Onset", "Au"], "condition_column": ["Pt", "Ru", "Onset"], "answer_column": ["Au"], "condition": {"Pt": "2.2", "Ru": "88.0", "Onset": "0.473971"}, "tool": "search_value", "answer": {"Au": "2.2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What percentage of Gold (Au) is present in an HEA with Platinum (Pt) at {}%, Ruthenium (Ru) at {}%, and Onset potential of {} V?"}
{"question": "What is the Catalyst loading (g/l) for a photocatalyst with an SBET of 4.45 m²/g?", "refer_dataset": "table10", "column names": ["SBET (m2 /g)", "loading (g/l)"], "condition_column": ["SBET (m2 /g)"], "answer_column": ["loading (g/l)"], "condition": {"SBET (m2 /g)": "4.45"}, "tool": "search_value", "answer": {"loading (g/l)": "0.1"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Catalyst loading (g/l) for a photocatalyst with an SBET of {} m²/g?"}
{"question": "For material ThSbRh, surface identifier Surface-JVASP-1699_miller_1_1_0_thickness_16_VASP_PBE_noDP, and initial atomic structure {'lattice_mat': [[9.52008972, 0.0, 0.0], [0.0, 6.73172, 0.0], [0.0, 0.0, 26.28013458]], 'coords': [[0.04166669, 0.66666667, 0.0452817], [0.54166668, 0.66666667, 0.22640884], [0.04166667, 0.66666667, 0.40753598], [0.79166667, 0.16666667, 0.13584527], [0.29166666, 0.16666667, 0.31697241], [0.79166664, 0.16666667, 0.49809956], [0.29166669, 0.16666667, 0.13584527], [0.79166667, 0.16666667, 0.31697241], [0.29166666, 0.16666667, 0.49809956], [0.54166668, 0.66666667, 0.0452817], [0.04166667, 0.66666667, 0.22640884], [0.54166665, 0.66666667, 0.40753598], [0.29166669, 0.66666667, 0.13584527], [0.79166667, 0.66666667, 0.31697241], [0.29166666, 0.66666667, 0.49809956], [0.54166668, 0.16666667, 0.0452817], [0.04166667, 0.16666667, 0.22640884], [0.54166665, 0.16666667, 0.40753598], [0.04166669, 0.16666667, 0.0452817], [0.54166668, 0.16666667, 0.22640884], [0.04166667, 0.16666667, 0.40753598], [0.79166667, 0.66666667, 0.13584527], [0.29166666, 0.66666667, 0.31697241], [0.79166664, 0.66666667, 0.49809956], [0.79166667, 0.91666667, 0.0452817], [0.29166666, 0.91666667, 0.22640884], [0.79166664, 0.91666667, 0.40753598], [0.54166668, 0.41666667, 0.13584527], [0.04166667, 0.41666667, 0.31697241], [0.54166665, 0.41666667, 0.49809956], [0.04166667, 0.41666667, 0.13584527], [0.54166665, 0.41666667, 0.31697241], [0.04166664, 0.41666667, 0.49809956], [0.29166669, 0.91666667, 0.0452817], [0.79166667, 0.91666667, 0.22640884], [0.29166666, 0.91666667, 0.40753598]], 'elements': ['Th', 'Th', 'Th', 'Th', 'Th', 'Th', 'Th', 'Th', 'Th', 'Th', 'Th', 'Th', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh'], 'abc': [9.52009, 6.73172, 26.28013], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}, find the SCF conduction band minimum (scf_cbm).", "refer_dataset": "table66", "column names": ["formula", "name", "initial_atoms", "scf_cbm"], "condition_column": ["formula", "name", "initial_atoms"], "answer_column": ["scf_cbm"], "condition": {"formula": "ThSbRh", "name": "Surface-JVASP-1699_miller_1_1_0_thickness_16_VASP_PBE_noDP", "initial_atoms": "{'lattice_mat': [[9.52008972, 0.0, 0.0], [0.0, 6.73172, 0.0], [0.0, 0.0, 26.28013458]], 'coords': [[0.04166669, 0.66666667, 0.0452817], [0.54166668, 0.66666667, 0.22640884], [0.04166667, 0.66666667, 0.40753598], [0.79166667, 0.16666667, 0.13584527], [0.29166666, 0.16666667, 0.31697241], [0.79166664, 0.16666667, 0.49809956], [0.29166669, 0.16666667, 0.13584527], [0.79166667, 0.16666667, 0.31697241], [0.29166666, 0.16666667, 0.49809956], [0.54166668, 0.66666667, 0.0452817], [0.04166667, 0.66666667, 0.22640884], [0.54166665, 0.66666667, 0.40753598], [0.29166669, 0.66666667, 0.13584527], [0.79166667, 0.66666667, 0.31697241], [0.29166666, 0.66666667, 0.49809956], [0.54166668, 0.16666667, 0.0452817], [0.04166667, 0.16666667, 0.22640884], [0.54166665, 0.16666667, 0.40753598], [0.04166669, 0.16666667, 0.0452817], [0.54166668, 0.16666667, 0.22640884], [0.04166667, 0.16666667, 0.40753598], [0.79166667, 0.66666667, 0.13584527], [0.29166666, 0.66666667, 0.31697241], [0.79166664, 0.66666667, 0.49809956], [0.79166667, 0.91666667, 0.0452817], [0.29166666, 0.91666667, 0.22640884], [0.79166664, 0.91666667, 0.40753598], [0.54166668, 0.41666667, 0.13584527], [0.04166667, 0.41666667, 0.31697241], [0.54166665, 0.41666667, 0.49809956], [0.04166667, 0.41666667, 0.13584527], [0.54166665, 0.41666667, 0.31697241], [0.04166664, 0.41666667, 0.49809956], [0.29166669, 0.91666667, 0.0452817], [0.79166667, 0.91666667, 0.22640884], [0.29166666, 0.91666667, 0.40753598]], 'elements': ['Th', 'Th', 'Th', 'Th', 'Th', 'Th', 'Th', 'Th', 'Th', 'Th', 'Th', 'Th', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Sb', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh', 'Rh'], 'abc': [9.52009, 6.73172, 26.28013], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}"}, "tool": "search_value", "answer": {"scf_cbm": "7.767"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For material {}, surface identifier {}, and initial atomic structure {}, find the SCF conduction band minimum (scf_cbm)."}
{"question": "What is the bulk modulus of the compound Mg(ScSe2)2 that exhibits a shear modulus of 20.0 and band gap (gap pbe) of 1.0918?", "refer_dataset": "table54", "column names": ["formula", "shear modulus", "gap pbe", "bulk modulus"], "condition_column": ["formula", "shear modulus", "gap pbe"], "answer_column": ["bulk modulus"], "condition": {"formula": "Mg(ScSe2)2", "shear modulus": "20.0", "gap pbe": "1.0918"}, "tool": "search_value", "answer": {"bulk modulus": "57.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk modulus of the compound {} that exhibits a shear modulus of {} and band gap (gap pbe) of {}?"}
{"question": "Determine the crystal system of the Mg-F compound with a job identifier of JQE-6, an energy per atom of -195.4641, and formation energy per atom of 0.055?", "refer_dataset": "table59", "column names": ["jid", "energy_per_atom", "f_enp", "crystal_system"], "condition_column": ["jid", "energy_per_atom", "f_enp"], "answer_column": ["crystal_system"], "condition": {"jid": "JQE-6", "energy_per_atom": "-195.4641", "f_enp": "0.055"}, "tool": "search_value", "answer": {"crystal_system": "orthorhombic"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the crystal system of the Mg-F compound with a job identifier of {}, an energy per atom of {}, and formation energy per atom of {}?"}
{"question": "For the material with identifier 1454, what is its formula energy?", "refer_dataset": "table64", "column names": ["id", "formula_energy"], "condition_column": ["id"], "answer_column": ["formula_energy"], "condition": {"id": "1454"}, "tool": "search_value", "answer": {"formula_energy": "-0.95401032496"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with identifier {}, what is its formula energy?"}
{"question": "What is the overpotential in acidic conditions for an article published by CAS Ctr Excellence Nanosci (Facility) in the journal NANOSCALE?", "refer_dataset": "table13", "column names": ["Facility", "Journal_Name", "Acid_OVP"], "condition_column": ["Facility", "Journal_Name"], "answer_column": ["Acid_OVP"], "condition": {"Facility": "CAS Ctr Excellence Nanosci", "Journal_Name": "NANOSCALE"}, "tool": "search_value", "answer": {"Acid_OVP": "70.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the overpotential in acidic conditions for an article published by {} (Facility) in the journal {}?"}
{"question": "What is the OptB88vdW bandgap for the material with formula KBi?", "refer_dataset": "table47", "column names": ["formula", "optb88vdw_bandgap"], "condition_column": ["formula"], "answer_column": ["optb88vdw_bandgap"], "condition": {"formula": "KBi"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "0.472"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the OptB88vdW bandgap for the material with formula {}?"}
{"question": "What is the total energy after optimization for a system with an OptB88-vdW bandgap of -129.68437497 and a conduction band minimum (CBM) of -0.2770000000000001?", "refer_dataset": "table52", "column names": ["final_energy", "optb88vdw_bandgap", "optb88vdw_cbm"], "condition_column": ["final_energy", "optb88vdw_bandgap"], "answer_column": ["optb88vdw_cbm"], "condition": {"final_energy": "-129.68437497", "optb88vdw_bandgap": "-0.2770000000000001"}, "tool": "search_value", "answer": {"optb88vdw_cbm": "4.6017"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total energy after optimization for a system with an OptB88-vdW bandgap of {} and a conduction band minimum (CBM) of {}?"}
{"question": "Does the catalyst Bi/Bi+3  contain alloying components? (0=no, 1=yes)", "refer_dataset": "table12", "column names": ["Catalyst label", "Alloying"], "condition_column": ["Catalyst label"], "answer_column": ["Alloying"], "condition": {"Catalyst label": "Bi/Bi+3 "}, "tool": "search_value", "answer": {"Alloying": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Does the catalyst {} contain alloying components? (0=no, 1=yes)"}
{"question": "What is the nanoparticle dose (g/L) applied for Tris-2-chloroethyl phosphate under pH 9.0?", "refer_dataset": "table9", "column names": ["OC", "pH", "D, g/L"], "condition_column": ["OC", "pH"], "answer_column": ["D, g/L"], "condition": {"OC": "Tris-2-chloroethyl phosphate", "pH": "9.0"}, "tool": "search_value", "answer": {"D, g/L": "0.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the nanoparticle dose (g/L) applied for {} under pH {}?"}
{"question": "Which solvent type is paired with a surfactant percentage of 0.185 wt.%?", "refer_dataset": "table42", "column names": ["Surfactant, % wt.", "Solvent type"], "condition_column": ["Surfactant, % wt."], "answer_column": ["Solvent type"], "condition": {"Surfactant, % wt.": "0.185"}, "tool": "search_value", "answer": {"Solvent type": "1-Hexanol"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which solvent type is paired with a surfactant percentage of {} wt.%?"}
{"question": "Which database entry corresponds to a material with a band gap of 2.618?", "refer_dataset": "table57", "column names": ["_oqmd_band_gap", "_oqmd_entry_id"], "condition_column": ["_oqmd_band_gap"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_band_gap": "2.618"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "326424.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which database entry corresponds to a material with a band gap of {}?"}
{"question": "What Illumination time(min) is needed for 96.0% degradation of MB at pH 10.0?", "refer_dataset": "table8", "column names": ["Degradation rate(%)", "Pollutant", "pH", "Illumination time(min)"], "condition_column": ["Degradation rate(%)", "Pollutant", "pH"], "answer_column": ["Illumination time(min)"], "condition": {"Degradation rate(%)": "96.0", "Pollutant": "MB", "pH": "10.0"}, "tool": "search_value", "answer": {"Illumination time(min)": "20"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What Illumination time(min) is needed for {}% degradation of {} at pH {}?"}
{"question": "What is the mean number of bonds (num_bonds_mean_0) associated with SMILES C(CCCC[N+]12CCN(CC1)CC2)CCC[N+]12CCN(CC1)CC2?", "refer_dataset": "table41", "column names": ["osda smiles", "num_bonds_mean_0"], "condition_column": ["osda smiles"], "answer_column": ["num_bonds_mean_0"], "condition": {"osda smiles": "C(CCCC[N+]12CCN(CC1)CC2)CCC[N+]12CCN(CC1)CC2"}, "tool": "search_value", "answer": {"num_bonds_mean_0": "27"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the mean number of bonds (num_bonds_mean_0) associated with SMILES {}?"}
{"question": "What is the current density at 0.63 V (secondCA) when Mn is 0.7 and Fe is 0.3?", "refer_dataset": "table16", "column names": ["Mn", "Fe", "J.uAcm2_0.63_secondCA"], "condition_column": ["Mn", "Fe"], "answer_column": ["J.uAcm2_0.63_secondCA"], "condition": {"Mn": "0.7", "Fe": "0.3"}, "tool": "search_value", "answer": {"J.uAcm2_0.63_secondCA": "2399.876"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the current density at 0.63 V (secondCA) when Mn is {} and Fe is {}?"}
{"question": "Determine the surface area (m²/cm³) of an MOF with minimum CO₂ adsorption 0.143114, largest cavity diameter 5.25 Å, and CO₂ pressure [0.01, 0.05, 0.1, 0.5, 2.5] bar.", "refer_dataset": "table50", "column names": ["min_co2_adsp", "lcd", "co2_pressures", "surface_area_m2cm3"], "condition_column": ["min_co2_adsp", "lcd", "co2_pressures"], "answer_column": ["surface_area_m2cm3"], "condition": {"min_co2_adsp": "0.143114", "lcd": "5.25", "co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "tool": "search_value", "answer": {"surface_area_m2cm3": "1996.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the surface area (m²/cm³) of an MOF with minimum CO₂ adsorption {}, largest cavity diameter {} Å, and CO₂ pressure {} bar."}
{"question": "What is the lanthanide ion concentration in solution for the compound with CIF filename 4345124.cif and publication year 2009?", "refer_dataset": "table34", "column names": ["CIF_file_name", "pub_year", "concentration"], "condition_column": ["CIF_file_name", "pub_year"], "answer_column": ["concentration"], "condition": {"CIF_file_name": "4345124.cif", "pub_year": "2009"}, "tool": "search_value", "answer": {"concentration": "100.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the lanthanide ion concentration in solution for the compound with CIF filename {} and publication year {}?"}
{"question": "What is the source (src) of the entry where the electronic dielectric contribution (diel_elec) is Huan_etal:SciDat(submitted) and the atomic energy is 3.95713?", "refer_dataset": "table58", "column names": ["src", "diel_elec", "atom_en"], "condition_column": ["src", "diel_elec"], "answer_column": ["atom_en"], "condition": {"src": "Huan_etal:SciDat(submitted)", "diel_elec": "3.95713"}, "tool": "search_value", "answer": {"atom_en": "-4.80599"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the source (src) of the entry where the electronic dielectric contribution (diel_elec) is {} and the atomic energy is {}?"}
{"question": "Identify the LUMO energy value associated with a HOMO energy level of -7.858648300170898.", "refer_dataset": "table60", "column names": ["homo", "lumo"], "condition_column": ["homo"], "answer_column": ["lumo"], "condition": {"homo": "-7.858648300170898"}, "tool": "search_value", "answer": {"lumo": "2.8354263305664062"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the LUMO energy value associated with a HOMO energy level of {}."}
{"question": "Which country's institution is associated with the article having DOI 10.1039/c7nr00460e?", "refer_dataset": "table13", "column names": ["DOI", "Country"], "condition_column": ["DOI"], "answer_column": ["Country"], "condition": {"DOI": "10.1039/c7nr00460e"}, "tool": "search_value", "answer": {"Country": "Peoples R China"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which country's institution is associated with the article having DOI {}?"}
{"question": "What is the shear modulus (Gv) of a material with exfoliation energy 55.29 and Poisson’s ratio na?", "refer_dataset": "table48", "column names": ["exfoliation_energy", "poisson", "shear_modulus_gv"], "condition_column": ["exfoliation_energy", "poisson"], "answer_column": ["shear_modulus_gv"], "condition": {"exfoliation_energy": "55.29", "poisson": "na"}, "tool": "search_value", "answer": {"shear_modulus_gv": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the shear modulus (Gv) of a material with exfoliation energy {} and Poisson’s ratio {}?"}
{"question": "Determine the formula_energy for the material with ID 1305 and formula K2O3Si.", "refer_dataset": "table64", "column names": ["id", "formula", "formula_energy"], "condition_column": ["id", "formula"], "answer_column": ["formula_energy"], "condition": {"id": "1305", "formula": "K2O3Si"}, "tool": "search_value", "answer": {"formula_energy": "-2.66534476833"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the formula_energy for the material with ID {} and formula {}."}
{"question": "What is the atomic weight of the element with BCC magnetic moment 0.4830855?", "refer_dataset": "table36", "column names": ["BCCmagmom", "at. wt."], "condition_column": ["BCCmagmom"], "answer_column": ["at. wt."], "condition": {"BCCmagmom": "0.4830855"}, "tool": "search_value", "answer": {"at. wt.": "192.22"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the atomic weight of the element with BCC magnetic moment {}?"}
{"question": "Report the density of element B (ρb) for the material La0.925Sr0.075Fe0.925Ti0.075O3.", "refer_dataset": "table3", "column names": ["Materials", "ρb"], "condition_column": ["Materials"], "answer_column": ["ρb"], "condition": {"Materials": "La0.925Sr0.075Fe0.925Ti0.075O3"}, "tool": "search_value", "answer": {"ρb": "7.62"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the density of element B (ρb) for the material {}."}
{"question": "What is the space group symbol for the compound with job ID JQE-5?", "refer_dataset": "table59", "column names": ["jid", "spacegroup_symbol"], "condition_column": ["jid"], "answer_column": ["spacegroup_symbol"], "condition": {"jid": "JQE-5"}, "tool": "search_value", "answer": {"spacegroup_symbol": "Fmmm"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the space group symbol for the compound with job ID {}?"}
{"question": "Which organic compound has an initial concentration of 1.3 mg/L under pH 7.7 and temperature 23°C?", "refer_dataset": "table9", "column names": ["C0, mg/L", "pH", "T, oC", "OC"], "condition_column": ["C0, mg/L", "pH", "T, oC"], "answer_column": ["OC"], "condition": {"C0, mg/L": "1.3", "pH": "7.7", "T, oC": "23"}, "tool": "search_value", "answer": {"OC": "2-Chlorobiphenyl"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which organic compound has an initial concentration of {} mg/L under pH {} and temperature {}°C?"}
{"question": "What reaction conditions are specified for the catalyst 10,8%NiRu(25:1)/SiO2-P?", "refer_dataset": "table30", "column names": ["Catalyst", "Reaction"], "condition_column": ["Catalyst"], "answer_column": ["Reaction"], "condition": {"Catalyst": "10,8%NiRu(25:1)/SiO2-P"}, "tool": "search_value", "answer": {"Reaction": "{'Reaction': 'COmethanation', 'Temperature': '200oC', 'Pressure': '1atm', 'FlowGasComposition': 'nodata', 'GasFlowrate': 'nodata', 'GHSV': 'nodata', 'Catalystmass': 'nodata', 'TOF': 'nodata', 'Conversion': '100%', 'Selectivity': 'nodata', 'Yield': 'nodata', 'Article': 'MethanationofCOinhydrogen-richgasonNi–Ru/SiO2catalyst:ThetypeofactivesitesandNi–Rusynergisticeffect', 'Id': ''}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reaction conditions are specified for the catalyst {}?"}
{"question": "What comments or metadata accompany the paper Calculation of prompt diphoton production cross sections at Tevatron and\n  LHC energies?", "refer_dataset": "table45", "column names": ["title", "comments"], "condition_column": ["title"], "answer_column": ["comments"], "condition": {"title": "Calculation of prompt diphoton production cross sections at Tevatron and\n  LHC energies"}, "tool": "search_value", "answer": {"comments": "37 pages, 15 figures; published version"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What comments or metadata accompany the paper {}?"}
{"question": "What is the CO₂ adsorption pressure (bar) for an MOF with absolute adsorption of [0.00047801100000000003, 0.00274857, 0.0083652, 0.0297562, 0.156071]?", "refer_dataset": "table50", "column names": ["co2_absp", "co2_pressures"], "condition_column": ["co2_absp"], "answer_column": ["co2_pressures"], "condition": {"co2_absp": "[0.00047801100000000003, 0.00274857, 0.0083652, 0.0297562, 0.156071]"}, "tool": "search_value", "answer": {"co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CO₂ adsorption pressure (bar) for an MOF with absolute adsorption of {}?"}
{"question": "Retrieve the solvent type used for Ca ion 81 mM, synthesis time 89 min 0 sec, and surfactant type Myristyltrimethylammonium bromide.", "refer_dataset": "table42", "column names": ["Ca ion, mM", "Synthesis time", "Surfactant type", "Solvent type"], "condition_column": ["Ca ion, mM", "Synthesis time", "Surfactant type"], "answer_column": ["Solvent type"], "condition": {"Ca ion, mM": "81", "Synthesis time": "89 min 0 sec", "Surfactant type": "Myristyltrimethylammonium bromide"}, "tool": "search_value", "answer": {"Solvent type": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the solvent type used for Ca ion {} mM, synthesis time {}, and surfactant type {}."}
{"question": "Report the density of element B (ρb) for the material BaTi0.97Mo0.03O3.", "refer_dataset": "table3", "column names": ["Materials", "ρb"], "condition_column": ["Materials"], "answer_column": ["ρb"], "condition": {"Materials": "BaTi0.97Mo0.03O3"}, "tool": "search_value", "answer": {"ρb": "4.68"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the density of element B (ρb) for the material {}."}
{"question": "Determine the OptB88vdW-derived bandgap of the material with formula FeO2?", "refer_dataset": "table48", "column names": ["formula", "optb88vdw_bandgap"], "condition_column": ["formula"], "answer_column": ["optb88vdw_bandgap"], "condition": {"formula": "FeO2"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the OptB88vdW-derived bandgap of the material with formula {}?"}
{"question": "What type of CIF data corresponds to the compound [Pc2Dy]TBA:[Pc2Y]TBA = 1/4 published in 2003?", "refer_dataset": "table34", "column names": ["compound", "pub_year", "CIF_type"], "condition_column": ["compound", "pub_year"], "answer_column": ["CIF_type"], "condition": {"compound": "[Pc2Dy]TBA:[Pc2Y]TBA = 1/4", "pub_year": "2003"}, "tool": "search_value", "answer": {"CIF_type": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What type of CIF data corresponds to the compound {} published in {}?"}
{"question": "At what temperature in Kelvin (K) is the magnetization per gram 36.0 emu/g recorded?", "refer_dataset": "table32", "column names": ["emu/g", "K"], "condition_column": ["emu/g"], "answer_column": ["K"], "condition": {"emu/g": "36.0"}, "tool": "search_value", "answer": {"K": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what temperature in Kelvin (K) is the magnetization per gram {} emu/g recorded?"}
{"question": "Provide the entry ID for a material that has a stability metric of 0.139558475603449 and band gap of 0.0.", "refer_dataset": "table57", "column names": ["_oqmd_stability", "_oqmd_band_gap", "_oqmd_entry_id"], "condition_column": ["_oqmd_stability", "_oqmd_band_gap"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_stability": "0.139558475603449", "_oqmd_band_gap": "0.0"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "472982.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the entry ID for a material that has a stability metric of {} and band gap of {}."}
{"question": "What is the ionic dielectric contribution (diel_ion) for the entry with atomic energy 6.02409 and label -4.81331?", "refer_dataset": "table58", "column names": ["diel_ion", "atom_en", "label"], "condition_column": ["diel_ion", "atom_en"], "answer_column": ["label"], "condition": {"diel_ion": "6.02409", "atom_en": "-4.81331"}, "tool": "search_value", "answer": {"label": "SnF2-based_polymer"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ionic dielectric contribution (diel_ion) for the entry with atomic energy {} and label {}?"}
{"question": "Find the density of element A (ρa) when the radius (Ra) is 124.813, ionization energy (I1a) is 5.91, and melting temperature (A_Tm) is 675.65.", "refer_dataset": "table2", "column names": ["Ra", "I1a", "A_Tm", "ρa"], "condition_column": ["Ra", "I1a", "A_Tm"], "answer_column": ["ρa"], "condition": {"Ra": "124.813", "I1a": "5.91", "A_Tm": "675.65"}, "tool": "search_value", "answer": {"ρa": "4.21"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the density of element A (ρa) when the radius (Ra) is {}, ionization energy (I1a) is {}, and melting temperature (A_Tm) is {}."}
{"question": "What is the tolerance factor (t) of the perovskite material Bi0.5Na0.5TiO3?", "refer_dataset": "table3", "column names": ["Materials", "t"], "condition_column": ["Materials"], "answer_column": ["t"], "condition": {"Materials": "Bi0.5Na0.5TiO3"}, "tool": "search_value", "answer": {"t": "0.939"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tolerance factor (t) of the perovskite material {}?"}
{"question": "Determine the heat capacity (Cv) for a material with HOMO energy -7.099450588226318, LUMO energy 1.668057918548584, and identifier 8.0.", "refer_dataset": "table60", "column names": ["homo", "lumo", "id", "Cv"], "condition_column": ["homo", "lumo", "id"], "answer_column": ["Cv"], "condition": {"homo": "-7.099450588226318", "lumo": "1.668057918548584", "id": "8.0"}, "tool": "search_value", "answer": {"Cv": "12.482000350952148"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the heat capacity (Cv) for a material with HOMO energy {}, LUMO energy {}, and identifier {}."}
{"question": "What is the zero-point vibrational energy (ZPVE) of a molecule with SMILES notation CC#C and an enthalpy (H) of 4.5418355117079?", "refer_dataset": "table61", "column names": ["SMILES", "H", "ZPVE"], "condition_column": ["SMILES", "H"], "answer_column": ["ZPVE"], "condition": {"SMILES": "CC#C", "H": "4.5418355117079"}, "tool": "search_value", "answer": {"ZPVE": "-2.82719875448526"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the zero-point vibrational energy (ZPVE) of a molecule with SMILES notation {} and an enthalpy (H) of {}?"}
{"question": "Who submitted the paper titled Alejandro Corichi?", "refer_dataset": "table45", "column names": ["submitter", "title"], "condition_column": ["submitter"], "answer_column": ["title"], "condition": {"submitter": "Alejandro Corichi"}, "tool": "search_value", "answer": {"title": "Polymer Quantum Mechanics and its Continuum Limit"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Who submitted the paper titled {}?"}
{"question": "What is the support material used when the primary metal (M1) is Dy?", "refer_dataset": "table28", "column names": ["M1", "Support"], "condition_column": ["M1"], "answer_column": ["Support"], "condition": {"M1": "Dy"}, "tool": "search_value", "answer": {"Support": "Mg"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the support material used when the primary metal (M1) is {}?"}
{"question": "Provide the calculated PBE bandgap for the material CeAlO3:", "refer_dataset": "table56", "column names": ["formula", "gap pbe"], "condition_column": ["formula"], "answer_column": ["gap pbe"], "condition": {"formula": "CeAlO3"}, "tool": "search_value", "answer": {"gap pbe": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the calculated PBE bandgap for the material {}:"}
{"question": "What is the Methyl adsorption energy (CH3Ead) of a system combining Base Be and Dope C?", "refer_dataset": "table24", "column names": ["Base", "Dope", "CH3Ead"], "condition_column": ["Base", "Dope"], "answer_column": ["CH3Ead"], "condition": {"Base": "Be", "Dope": "C"}, "tool": "search_value", "answer": {"CH3Ead": "-1.0923106164"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Methyl adsorption energy (CH3Ead) of a system combining Base {} and Dope {}?"}
{"question": "Determine Y concentration when Ca is 0.8 and La is 0.2.", "refer_dataset": "table16", "column names": ["Ca", "La", "Y"], "condition_column": ["Ca", "La"], "answer_column": ["Y"], "condition": {"Ca": "0.8", "La": "0.2"}, "tool": "search_value", "answer": {"Y": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine Y concentration when Ca is {} and La is {}."}
{"question": "What is the activation energy (eV) for surface -1 (identifier 0) with adsorbed hydrogen CO2*?", "refer_dataset": "table18", "column names": ["surfaces", "surfaces_key", "a", "activation_energy"], "condition_column": ["surfaces", "surfaces_key", "a"], "answer_column": ["activation_energy"], "condition": {"surfaces": "-1", "surfaces_key": "0", "a": "CO2*"}, "tool": "search_value", "answer": {"activation_energy": "0.97"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the activation energy (eV) for surface {} (identifier {}) with adsorbed hydrogen {}?"}
{"question": "What is the conduction band minimum (OptB88-vdW) for a system with a final optimized energy of -207.57252903?", "refer_dataset": "table52", "column names": ["final_energy", "optb88vdw_cbm"], "condition_column": ["final_energy"], "answer_column": ["optb88vdw_cbm"], "condition": {"final_energy": "-207.57252903"}, "tool": "search_value", "answer": {"optb88vdw_cbm": "6.8134"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the conduction band minimum (OptB88-vdW) for a system with a final optimized energy of {}?"}
{"question": "Identify the minimum CO₂ adsorption capacity for an MOF with largest cavity diameter 21.25 Å, pore limiting diameter 19.75 Å, and pressure [0.01, 0.05, 0.1, 0.5, 2.5] bar.", "refer_dataset": "table50", "column names": ["lcd", "pld", "co2_pressures", "min_co2_adsp"], "condition_column": ["lcd", "pld", "co2_pressures"], "answer_column": ["min_co2_adsp"], "condition": {"lcd": "21.25", "pld": "19.75", "co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "tool": "search_value", "answer": {"min_co2_adsp": "0.0299370999999999"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the minimum CO₂ adsorption capacity for an MOF with largest cavity diameter {} Å, pore limiting diameter {} Å, and pressure {} bar."}
{"question": "Find the density of element B (ρb) when the radius of element B (Rb) is 60.392.", "refer_dataset": "table2", "column names": ["Rb", "ρb"], "condition_column": ["Rb"], "answer_column": ["ρb"], "condition": {"Rb": "60.392"}, "tool": "search_value", "answer": {"ρb": "4.51"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the density of element B (ρb) when the radius of element B (Rb) is {}."}
{"question": "What is the PBE method lattice constant for the perovskite material with identifier Perov-9?", "refer_dataset": "table49", "column names": ["id", "PBE_latt_const"], "condition_column": ["id"], "answer_column": ["PBE_latt_const"], "condition": {"id": "Perov-9"}, "tool": "search_value", "answer": {"PBE_latt_const": "5.76"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the PBE method lattice constant for the perovskite material with identifier {}?"}
{"question": "What is the source (src) of the entry with ID Tashiro_etal:J.Polym.Sci.PartB:Polym.Phys.39.1296(2001)?", "refer_dataset": "table58", "column names": ["src", "id"], "condition_column": ["src"], "answer_column": ["id"], "condition": {"src": "Tashiro_etal:J.Polym.Sci.PartB:Polym.Phys.39.1296(2001)"}, "tool": "search_value", "answer": {"id": "34"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the source (src) of the entry with ID {}?"}
{"question": "Find the partial pressure of argon (Par) when the methane partial pressure (Pch4) is 0.91, oxygen partial pressure (Po2) is 0.09, and temperature is 643°C.", "refer_dataset": "table28", "column names": ["Pch4", "Po2", "Temperature", "Par"], "condition_column": ["Pch4", "Po2", "Temperature"], "answer_column": ["Par"], "condition": {"Pch4": "0.91", "Po2": "0.09", "Temperature": "643"}, "tool": "search_value", "answer": {"Par": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the partial pressure of argon (Par) when the methane partial pressure (Pch4) is {}, oxygen partial pressure (Po2) is {}, and temperature is {}°C."}
{"question": "Where is the file stored for the material with prototype structure identifier A_13_spg166?", "refer_dataset": "table44", "column names": ["prototype_id", "location"], "condition_column": ["prototype_id"], "answer_column": ["location"], "condition": {"prototype_id": "A_13_spg166"}, "tool": "search_value", "answer": {"location": "extra/batch-4000/Ac/Ac/xxx_02a-00_agm005268319_spg166"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Where is the file stored for the material with prototype structure identifier {}?"}
{"question": "Determine the electron affinity of element A (EAa) in the material La0.925Sr0.075Fe0.925Ti0.075O3.", "refer_dataset": "table2", "column names": ["Materials", "EAa"], "condition_column": ["Materials"], "answer_column": ["EAa"], "condition": {"Materials": "La0.925Sr0.075Fe0.925Ti0.075O3"}, "tool": "search_value", "answer": {"EAa": "44.75"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the electron affinity of element A (EAa) in the material {}."}
{"question": "What is the surface area (m²/g) of the MOF identified by ID hMOF-5024984?", "refer_dataset": "table50", "column names": ["id", "surface_area_m2g"], "condition_column": ["id"], "answer_column": ["surface_area_m2g"], "condition": {"id": "hMOF-5024984"}, "tool": "search_value", "answer": {"surface_area_m2g": "3087.3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the surface area (m²/g) of the MOF identified by ID {}?"}
{"question": "What vacancy formation energy is associated with the material Ti3Cu3O?", "refer_dataset": "table53", "column names": ["formula", "vac_dat"], "condition_column": ["formula"], "answer_column": ["vac_dat"], "condition": {"formula": "Ti3Cu3O"}, "tool": "search_value", "answer": {"vac_dat": "na"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What vacancy formation energy is associated with the material {}?"}
{"question": "What is the ID of the superconducting material exhibiting a Tc of 0.755?", "refer_dataset": "table65", "column names": ["Tc", "id"], "condition_column": ["Tc"], "answer_column": ["id"], "condition": {"Tc": "0.755"}, "tool": "search_value", "answer": {"id": "14779"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ID of the superconducting material exhibiting a Tc of {}?"}
{"question": "What is the hydrogen production rate (RH2) of the material La0.85Sr0.15FeO3?", "refer_dataset": "table3", "column names": ["Materials", "RH2(µmol h-1 g-1)"], "condition_column": ["Materials"], "answer_column": ["RH2(µmol h-1 g-1)"], "condition": {"Materials": "La0.85Sr0.15FeO3"}, "tool": "search_value", "answer": {"RH2(µmol h-1 g-1)": "30.7"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the hydrogen production rate (RH2) of the material {}?"}
{"question": "What is the secondary B2 site cation in the perovskite referenced as [A111]?", "refer_dataset": "table5", "column names": ["Ref", "B2 site"], "condition_column": ["Ref"], "answer_column": ["B2 site"], "condition": {"Ref": "[A111]"}, "tool": "search_value", "answer": {"B2 site": "Cr"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary B2 site cation in the perovskite referenced as {}?"}
{"question": "What is the secondary metal component (M2) for catalysts with primary metal atom count (M1_atom_number) of 25, support identifier (Support_ID) 4, and CO2 selectivity (CO2s) of 15.55?", "refer_dataset": "table17", "column names": ["M1_atom_number", "Support_ID", "CO2s", "M2"], "condition_column": ["M1_atom_number", "Support_ID", "CO2s"], "answer_column": ["M2"], "condition": {"M1_atom_number": "25", "Support_ID": "4", "CO2s": "15.55"}, "tool": "search_value", "answer": {"M2": "Na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary metal component (M2) for catalysts with primary metal atom count (M1_atom_number) of {}, support identifier (Support_ID) {}, and CO2 selectivity (CO2s) of {}?"}
{"question": "If feature 45 is SrFeO3, which perovskite compound matches this value?", "refer_dataset": "table14", "column names": ["Perovskite", "45"], "condition_column": ["Perovskite"], "answer_column": ["45"], "condition": {"Perovskite": "SrFeO3"}, "tool": "search_value", "answer": {"45": "-0.02294"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If feature 45 is {}, which perovskite compound matches this value?"}
{"question": "What is the magnetic moment (mu_b) for ID mp-1001113 with shear modulus -27.758493782833494?", "refer_dataset": "table56", "column names": ["id", "shear modulus", "mu_b"], "condition_column": ["id", "shear modulus"], "answer_column": ["mu_b"], "condition": {"id": "mp-1001113", "shear modulus": "-27.758493782833494"}, "tool": "search_value", "answer": {"mu_b": "0.0014845"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the magnetic moment (mu_b) for ID {} with shear modulus {}?"}
{"question": "What is the magnetic moment (magmom_oszicar) for the material with job ID JVASP-90856?", "refer_dataset": "table47", "column names": ["jid", "magmom_oszicar"], "condition_column": ["jid"], "answer_column": ["magmom_oszicar"], "condition": {"jid": "JVASP-90856"}, "tool": "search_value", "answer": {"magmom_oszicar": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the magnetic moment (magmom_oszicar) for the material with job ID {}?"}
{"question": "Determine the final simulation energy for the surface structure named Surface-JVASP-1372_miller_1_1_0_thickness_16_VASP_PBE_noDP.", "refer_dataset": "table66", "column names": ["name", "final_energy"], "condition_column": ["name"], "answer_column": ["final_energy"], "condition": {"name": "Surface-JVASP-1372_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"final_energy": "-72.77434621"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the final simulation energy for the surface structure named {}."}
{"question": "Which space group number (sgNumber) corresponds to the file identifier 1000027?", "refer_dataset": "table38", "column names": ["file", "sgNumber"], "condition_column": ["file"], "answer_column": ["sgNumber"], "condition": {"file": "1000027"}, "tool": "search_value", "answer": {"sgNumber": "63.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which space group number (sgNumber) corresponds to the file identifier {}?"}
{"question": "What is the Wyckoff position notation linked to entry ID JVASP-14812_Sm_c?", "refer_dataset": "table68", "column names": ["id", "wycoff"], "condition_column": ["id"], "answer_column": ["wycoff"], "condition": {"id": "JVASP-14812_Sm_c"}, "tool": "search_value", "answer": {"wycoff": "c"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Wyckoff position notation linked to entry ID {}?"}
{"question": "How many atoms are in the unit cell of the material with job ID JVASP-22556?", "refer_dataset": "table47", "column names": ["jid", "nat"], "condition_column": ["jid"], "answer_column": ["nat"], "condition": {"jid": "JVASP-22556"}, "tool": "search_value", "answer": {"nat": "5"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many atoms are in the unit cell of the material with job ID {}?"}
{"question": "Determine the journal impact factor for an article published by the institution CAEP in Peoples R China country.", "refer_dataset": "table13", "column names": ["Facility", "Country", "IF"], "condition_column": ["Facility", "Country"], "answer_column": ["IF"], "condition": {"Facility": "CAEP", "Country": "Peoples R China"}, "tool": "search_value", "answer": {"IF": "6.813"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the journal impact factor for an article published by the institution {} in {} country."}
{"question": "What is the entry ID of a material with delta_e 0.0978438718534491 and band gap 0.0?", "refer_dataset": "table57", "column names": ["_oqmd_delta_e", "_oqmd_band_gap", "_oqmd_entry_id"], "condition_column": ["_oqmd_delta_e", "_oqmd_band_gap"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_delta_e": "0.0978438718534491", "_oqmd_band_gap": "0.0"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "472982.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the entry ID of a material with delta_e {} and band gap {}?"}
{"question": "What is the simplified chemical formula of the material with a unit cell volume of 100.73231035205684?", "refer_dataset": "table55", "column names": ["volume", "pretty_formula"], "condition_column": ["volume"], "answer_column": ["pretty_formula"], "condition": {"volume": "100.73231035205684"}, "tool": "search_value", "answer": {"pretty_formula": "In3Ga"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the simplified chemical formula of the material with a unit cell volume of {}?"}
{"question": "What is the secondary anion molar percentage when the primary cation is 29.0 and the oxygen pressure is 0.084?", "refer_dataset": "table20", "column names": ["Cation1", "O2-pressure", "Anion2-mol"], "condition_column": ["Cation1", "O2-pressure"], "answer_column": ["Anion2-mol"], "condition": {"Cation1": "29.0", "O2-pressure": "0.084"}, "tool": "search_value", "answer": {"Anion2-mol": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary anion molar percentage when the primary cation is {} and the oxygen pressure is {}?"}
{"question": "Find the electronegativity of element B (χpb) if the radius ratio (Ra/Rb) is 1.984, ionization energy of A (I1a) is 5.248, and tolerance factor (t) is 0.931.", "refer_dataset": "table2", "column names": ["Ra/Rb", "I1a", "t", "χpb"], "condition_column": ["Ra/Rb", "I1a", "t"], "answer_column": ["χpb"], "condition": {"Ra/Rb": "1.984", "I1a": "5.248", "t": "0.931"}, "tool": "search_value", "answer": {"χpb": "1.55"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the electronegativity of element B (χpb) if the radius ratio (Ra/Rb) is {}, ionization energy of A (I1a) is {}, and tolerance factor (t) is {}."}
{"question": "Identify the formula associated with a superconducting transition temperature of 1.09.", "refer_dataset": "table65", "column names": ["Tc", "formula"], "condition_column": ["Tc"], "answer_column": ["formula"], "condition": {"Tc": "1.09"}, "tool": "search_value", "answer": {"formula": "Ni2.5Cu1.5Zr8"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the formula associated with a superconducting transition temperature of {}."}
{"question": "Report the delta_e value for materials exhibiting a band gap of 5.709.", "refer_dataset": "table57", "column names": ["_oqmd_band_gap", "_oqmd_delta_e"], "condition_column": ["_oqmd_band_gap"], "answer_column": ["_oqmd_delta_e"], "condition": {"_oqmd_band_gap": "5.709"}, "tool": "search_value", "answer": {"_oqmd_delta_e": "-2.83230358956555"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the delta_e value for materials exhibiting a band gap of {}."}
{"question": "Find the energy per atom of the material with the source identifier mp-23309.", "refer_dataset": "table67", "column names": ["source_id", "energy_per_atom"], "condition_column": ["source_id"], "answer_column": ["energy_per_atom"], "condition": {"source_id": "mp-23309"}, "tool": "search_value", "answer": {"energy_per_atom": "-6.9739026075"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the energy per atom of the material with the source identifier {}."}
{"question": "What is the initial concentration (mg/L) of n-Nitrosodimethylamine tested with nanoparticle dose 2.0 g/L?", "refer_dataset": "table9", "column names": ["OC", "D, g/L", "C0, mg/L"], "condition_column": ["OC", "D, g/L"], "answer_column": ["C0, mg/L"], "condition": {"OC": "n-Nitrosodimethylamine", "D, g/L": "2.0"}, "tool": "search_value", "answer": {"C0, mg/L": "2.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the initial concentration (mg/L) of {} tested with nanoparticle dose {} g/L?"}
{"question": "What is the formation energy per atom of the material identified by jid JVASP-98225?", "refer_dataset": "table47", "column names": ["jid", "formation_energy_peratom"], "condition_column": ["jid"], "answer_column": ["formation_energy_peratom"], "condition": {"jid": "JVASP-98225"}, "tool": "search_value", "answer": {"formation_energy_peratom": "-0.4414"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy per atom of the material identified by jid {}?"}
{"question": "What is the Methane adsorption energy (CH4Ead) when the Composition is BeHe and Dope is He?", "refer_dataset": "table24", "column names": ["Composition", "Dope", "CH4Ead"], "condition_column": ["Composition", "Dope"], "answer_column": ["CH4Ead"], "condition": {"Composition": "BeHe", "Dope": "He"}, "tool": "search_value", "answer": {"CH4Ead": "1.6698453015"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Methane adsorption energy (CH4Ead) when the Composition is {} and Dope is {}?"}
{"question": "Report the Tc for the material identified by 8629.", "refer_dataset": "table65", "column names": ["id", "Tc"], "condition_column": ["id"], "answer_column": ["Tc"], "condition": {"id": "8629"}, "tool": "search_value", "answer": {"Tc": "79.5"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the Tc for the material identified by {}."}
{"question": "Provide the GGA band gap energy (gga_gap) for the material labeled 2.554 with a unit cell volume of NH-C6H4-NH-O cubic angstroms.", "refer_dataset": "table58", "column names": ["gga_gap", "label", "vol"], "condition_column": ["gga_gap", "label"], "answer_column": ["vol"], "condition": {"gga_gap": "2.554", "label": "NH-C6H4-NH-O"}, "tool": "search_value", "answer": {"vol": "252.731"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the GGA band gap energy (gga_gap) for the material labeled {} with a unit cell volume of {} cubic angstroms."}
{"question": "What is the electronic dielectric constant (diel_elec) for the material with label 3.55557 and unit cell volume NH-C6H4-NH-O cubic angstroms?", "refer_dataset": "table58", "column names": ["diel_elec", "label", "vol"], "condition_column": ["diel_elec", "label"], "answer_column": ["vol"], "condition": {"diel_elec": "3.55557", "label": "NH-C6H4-NH-O"}, "tool": "search_value", "answer": {"vol": "252.731"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic dielectric constant (diel_elec) for the material with label {} and unit cell volume {} cubic angstroms?"}
{"question": "What is the formation energy value associated with the unique job identifier JVASP-14603?", "refer_dataset": "table68", "column names": ["jid", "ef"], "condition_column": ["jid"], "answer_column": ["ef"], "condition": {"jid": "JVASP-14603"}, "tool": "search_value", "answer": {"ef": "1.41749"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy value associated with the unique job identifier {}?"}
{"question": "What is the overpotential in acidic conditions for an article published by Tianjin Univ (Facility) in the journal MATERIALS TODAY ENERGY?", "refer_dataset": "table13", "column names": ["Facility", "Journal_Name", "Acid_OVP"], "condition_column": ["Facility", "Journal_Name"], "answer_column": ["Acid_OVP"], "condition": {"Facility": "Tianjin Univ", "Journal_Name": "MATERIALS TODAY ENERGY"}, "tool": "search_value", "answer": {"Acid_OVP": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the overpotential in acidic conditions for an article published by {} (Facility) in the journal {}?"}
{"question": "What is the Tc of the superconducting material identified by 6607 and formula Ni2.5Cu1.5Zr8?", "refer_dataset": "table65", "column names": ["id", "formula", "Tc"], "condition_column": ["id", "formula"], "answer_column": ["Tc"], "condition": {"id": "6607", "formula": "Ni2.5Cu1.5Zr8"}, "tool": "search_value", "answer": {"Tc": "1.09"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Tc of the superconducting material identified by {} and formula {}?"}
{"question": "What is the dipole moment (mu) for the material with identifier 5.0?", "refer_dataset": "table60", "column names": ["id", "mu"], "condition_column": ["id"], "answer_column": ["mu"], "condition": {"id": "5.0"}, "tool": "search_value", "answer": {"mu": "2.1089000701904297"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the dipole moment (mu) for the material with identifier {}?"}
{"question": "What is the secondary A2 site cation in the perovskite compound SrIn0.5Nb0.5O3, which has a cycle5 performance of -?", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "cycle5", "A2 site"], "condition_column": ["Full Name of Perovskite", "cycle5"], "answer_column": ["A2 site"], "condition": {"Full Name of Perovskite": "SrIn0.5Nb0.5O3", "cycle5": "-"}, "tool": "search_value", "answer": {"A2 site": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary A2 site cation in the perovskite compound {}, which has a cycle5 performance of {}?"}
{"question": "Which organic compound required a light intensity of 0.176 mW/cm² and pH 3.6 to achieve -log(k) 0.6302?", "refer_dataset": "table9", "column names": ["I, mW/cm2", "pH", "-log(k), min-1", "OC"], "condition_column": ["I, mW/cm2", "pH", "-log(k), min-1"], "answer_column": ["OC"], "condition": {"I, mW/cm2": "0.176", "pH": "3.6", "-log(k), min-1": "0.6302"}, "tool": "search_value", "answer": {"OC": "Chlorobenzene"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which organic compound required a light intensity of {} mW/cm² and pH {} to achieve -log(k) {}?"}
{"question": "Which subject category is assigned to the paper titled The Spitzer c2d Survey of Large, Nearby, Insterstellar Clouds. IX. The\n  Serpens YSO Population As Observed With IRAC and MIPS?", "refer_dataset": "table45", "column names": ["title", "categories"], "condition_column": ["title"], "answer_column": ["categories"], "condition": {"title": "The Spitzer c2d Survey of Large, Nearby, Insterstellar Clouds. IX. The\n  Serpens YSO Population As Observed With IRAC and MIPS"}, "tool": "search_value", "answer": {"categories": "astro-ph"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which subject category is assigned to the paper titled {}?"}
{"question": "What is the atomic number of element C when element A is 0, Bn is 1, and the formation energy is -0.08 eV?", "refer_dataset": "table22", "column names": ["A", "Bn", "Formation_E", "C_AtomN"], "condition_column": ["A", "Bn", "Formation_E"], "answer_column": ["C_AtomN"], "condition": {"A": "0", "Bn": "1", "Formation_E": "-0.08"}, "tool": "search_value", "answer": {"C_AtomN": "7"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the atomic number of element C when element A is {}, Bn is {}, and the formation energy is {} eV?"}
{"question": "Given the sample ID 2, what is its statistical correlation coefficient (R²)?", "refer_dataset": "table61", "column names": ["id", "R2"], "condition_column": ["id"], "answer_column": ["R2"], "condition": {"id": "2"}, "tool": "search_value", "answer": {"R2": "-4.1474743680007"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given the sample ID {}, what is its statistical correlation coefficient (R²)?"}
{"question": "What is the ionic contribution to the Goldschmidt tolerance factor when the total tolerance factor is 0.909000715884?", "refer_dataset": "table37", "column names": ["goldschmidt_TF", "goldschmidt_TF_ionic"], "condition_column": ["goldschmidt_TF"], "answer_column": ["goldschmidt_TF_ionic"], "condition": {"goldschmidt_TF": "0.909000715884"}, "tool": "search_value", "answer": {"goldschmidt_TF_ionic": "0.916519174076"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ionic contribution to the Goldschmidt tolerance factor when the total tolerance factor is {}?"}
{"question": "For Job ID cc-0, what is the crystal structure lattice matrix data (atoms)?", "refer_dataset": "table46", "column names": ["jid", "atoms"], "condition_column": ["jid"], "answer_column": ["atoms"], "condition": {"jid": "cc-0"}, "tool": "search_value", "answer": {"atoms": "{'lattice_mat': [[15, 0, 0], [0, 15, 0], [0, 0, 15]], 'coords': [[0.665904, 0.776188, 0.0], [0.0, 1.549731, 0.0], [0.0, -1.549731, 0.0], [0.222692, 2.121674, 0.813872], [0.222692, 2.121674, -0.813872], [-0.665904, -0.776188, 0.0], [-0.222692, -2.121674, -0.813872], [-0.222692, -2.121674, 0.813872]], 'elements': ['H', 'N', 'N', 'H', 'H', 'H', 'H', 'H'], 'abc': [15.0, 15.0, 15.0], 'angles': [90.0, 90.0, 90.0], 'cartesian': True, 'props': ['', '', '', '', '', '', '', '']}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For Job ID {}, what is the crystal structure lattice matrix data (atoms)?"}
{"question": "Provide the chemical potential value for bulk formula Mn with Wyckoff position a.", "refer_dataset": "table68", "column names": ["bulk_formula", "wycoff", "chem_pot"], "condition_column": ["bulk_formula", "wycoff"], "answer_column": ["chem_pot"], "condition": {"bulk_formula": "Mn", "wycoff": "a"}, "tool": "search_value", "answer": {"chem_pot": "-5.64031724137931"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the chemical potential value for bulk formula {} with Wyckoff position {}."}
{"question": "Report the source identifier for the material where the bandgap is 2.9398.", "refer_dataset": "table67", "column names": ["bandgap", "source_id"], "condition_column": ["bandgap"], "answer_column": ["source_id"], "condition": {"bandgap": "2.9398"}, "tool": "search_value", "answer": {"source_id": "mp-634859"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the source identifier for the material where the bandgap is {}."}
{"question": "For material BaNaBr, surface identifier Surface-JVASP-63938_miller_1_1_0_thickness_16_VASP_PBE_noDP, and initial atomic structure {'lattice_mat': [[11.57031755, 0.0, 0.0], [0.0, 8.18145, 0.0], [0.0, 0.0, 23.57031755]], 'coords': [[0.2916666, 0.41666667, 0.18408194], [0.7916665, 0.41666667, 0.42952446], [0.54166676, 0.91666667, 0.06136068], [0.04166666, 0.91666667, 0.3068032], [0.04166666, 0.91666667, 0.06136068], [0.54166655, 0.91666667, 0.3068032], [0.79166671, 0.41666667, 0.18408194], [0.2916666, 0.41666667, 0.42952446], [0.54166676, 0.66666667, 0.18408194], [0.04166666, 0.66666667, 0.42952446], [0.79166671, 0.16666667, 0.06136068], [0.2916666, 0.16666667, 0.3068032], [0.29166682, 0.16666667, 0.06136068], [0.79166671, 0.16666667, 0.3068032], [0.04166666, 0.66666667, 0.18408194], [0.54166655, 0.66666667, 0.42952446], [0.29166682, 0.66666667, 0.06136068], [0.79166671, 0.66666667, 0.3068032], [0.04166666, 0.16666667, 0.18408194], [0.54166655, 0.16666667, 0.42952446], [0.54166676, 0.16666667, 0.18408194], [0.04166666, 0.16666667, 0.42952446], [0.79166671, 0.66666667, 0.06136068], [0.2916666, 0.66666667, 0.3068032]], 'elements': ['Ba', 'Ba', 'Ba', 'Ba', 'Ba', 'Ba', 'Ba', 'Ba', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Br', 'Br', 'Br', 'Br', 'Br', 'Br', 'Br', 'Br'], 'abc': [11.57032, 8.18145, 23.57032], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}, find the SCF conduction band minimum (scf_cbm).", "refer_dataset": "table66", "column names": ["formula", "name", "initial_atoms", "scf_cbm"], "condition_column": ["formula", "name", "initial_atoms"], "answer_column": ["scf_cbm"], "condition": {"formula": "BaNaBr", "name": "Surface-JVASP-63938_miller_1_1_0_thickness_16_VASP_PBE_noDP", "initial_atoms": "{'lattice_mat': [[11.57031755, 0.0, 0.0], [0.0, 8.18145, 0.0], [0.0, 0.0, 23.57031755]], 'coords': [[0.2916666, 0.41666667, 0.18408194], [0.7916665, 0.41666667, 0.42952446], [0.54166676, 0.91666667, 0.06136068], [0.04166666, 0.91666667, 0.3068032], [0.04166666, 0.91666667, 0.06136068], [0.54166655, 0.91666667, 0.3068032], [0.79166671, 0.41666667, 0.18408194], [0.2916666, 0.41666667, 0.42952446], [0.54166676, 0.66666667, 0.18408194], [0.04166666, 0.66666667, 0.42952446], [0.79166671, 0.16666667, 0.06136068], [0.2916666, 0.16666667, 0.3068032], [0.29166682, 0.16666667, 0.06136068], [0.79166671, 0.16666667, 0.3068032], [0.04166666, 0.66666667, 0.18408194], [0.54166655, 0.66666667, 0.42952446], [0.29166682, 0.66666667, 0.06136068], [0.79166671, 0.66666667, 0.3068032], [0.04166666, 0.16666667, 0.18408194], [0.54166655, 0.16666667, 0.42952446], [0.54166676, 0.16666667, 0.18408194], [0.04166666, 0.16666667, 0.42952446], [0.79166671, 0.66666667, 0.06136068], [0.2916666, 0.66666667, 0.3068032]], 'elements': ['Ba', 'Ba', 'Ba', 'Ba', 'Ba', 'Ba', 'Ba', 'Ba', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Br', 'Br', 'Br', 'Br', 'Br', 'Br', 'Br', 'Br'], 'abc': [11.57032, 8.18145, 23.57032], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}"}, "tool": "search_value", "answer": {"scf_cbm": "1.315"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For material {}, surface identifier {}, and initial atomic structure {}, find the SCF conduction band minimum (scf_cbm)."}
{"question": "State the topology classification for the compound referenced under DOI https://doi.org/10.1021/acs.cgd.6b01295.", "refer_dataset": "table62", "column names": ["doi", "topology"], "condition_column": ["doi"], "answer_column": ["topology"], "condition": {"doi": "https://doi.org/10.1021/acs.cgd.6b01295"}, "tool": "search_value", "answer": {"topology": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "State the topology classification for the compound referenced under DOI {}."}
{"question": "What is the Methane adsorption energy (CH4Ead) when the Composition is BeNe and Dope is Ne?", "refer_dataset": "table24", "column names": ["Composition", "Dope", "CH4Ead"], "condition_column": ["Composition", "Dope"], "answer_column": ["CH4Ead"], "condition": {"Composition": "BeNe", "Dope": "Ne"}, "tool": "search_value", "answer": {"CH4Ead": "2.544544062"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Methane adsorption energy (CH4Ead) when the Composition is {} and Dope is {}?"}
{"question": "What is the zero-point vibrational energy (ZPVE) of a molecule with SMILES notation CO and an enthalpy (H) of 5.328265494185?", "refer_dataset": "table61", "column names": ["SMILES", "H", "ZPVE"], "condition_column": ["SMILES", "H"], "answer_column": ["ZPVE"], "condition": {"SMILES": "CO", "H": "5.328265494185"}, "tool": "search_value", "answer": {"ZPVE": "-2.95401069908853"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the zero-point vibrational energy (ZPVE) of a molecule with SMILES notation {} and an enthalpy (H) of {}?"}
{"question": "At what process temperature (°C) is the methane partial pressure (Pch4) 0.93?", "refer_dataset": "table28", "column names": ["Pch4", "Temperature"], "condition_column": ["Pch4"], "answer_column": ["Temperature"], "condition": {"Pch4": "0.93"}, "tool": "search_value", "answer": {"Temperature": "740"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what process temperature (°C) is the methane partial pressure (Pch4) {}?"}
{"question": "What is the numerical identifier (name) of the compound with Job ID cc-10 and InChI identifier InChI=1S/CH4Se/c1-2/h2H,1H3?", "refer_dataset": "table46", "column names": ["jid", "inchi", "name"], "condition_column": ["jid", "inchi"], "answer_column": ["name"], "condition": {"jid": "cc-10", "inchi": "InChI=1S/CH4Se/c1-2/h2H,1H3"}, "tool": "search_value", "answer": {"name": "10"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the numerical identifier (name) of the compound with Job ID {} and InChI identifier {}?"}
{"question": "Determine the Reaction energy (ReactionE) for a material with Base Be and Dope C.", "refer_dataset": "table24", "column names": ["Base", "Dope", "ReactionE"], "condition_column": ["Base", "Dope"], "answer_column": ["ReactionE"], "condition": {"Base": "Be", "Dope": "C"}, "tool": "search_value", "answer": {"ReactionE": "-0.7332434365"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the Reaction energy (ReactionE) for a material with Base {} and Dope {}."}
{"question": "For a system with a final energy of -94.22629209 and a band alignment offset of 0.1705275340169199, what is the valence band maximum (VBM)?", "refer_dataset": "table52", "column names": ["final_energy", "offset", "optb88vdw_vbm"], "condition_column": ["final_energy", "offset"], "answer_column": ["optb88vdw_vbm"], "condition": {"final_energy": "-94.22629209", "offset": "0.1705275340169199"}, "tool": "search_value", "answer": {"optb88vdw_vbm": "3.9299"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a system with a final energy of {} and a band alignment offset of {}, what is the valence band maximum (VBM)?"}
{"question": "What PBE0 method details describe an entry with a HOMO-LUMO gap of 0.074?", "refer_dataset": "table51", "column names": ["pbe0_gap", "pbe0_description"], "condition_column": ["pbe0_gap"], "answer_column": ["pbe0_description"], "condition": {"pbe0_gap": "0.074"}, "tool": "search_value", "answer": {"pbe0_description": "QChem PBE0/def2-SVP DFT"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What PBE0 method details describe an entry with a HOMO-LUMO gap of {}?"}
{"question": "Calculate the Methane adsorption energy (CH4Ead) for the Base Be combined with Dope Ne.", "refer_dataset": "table24", "column names": ["Base", "Dope", "CH4Ead"], "condition_column": ["Base", "Dope"], "answer_column": ["CH4Ead"], "condition": {"Base": "Be", "Dope": "Ne"}, "tool": "search_value", "answer": {"CH4Ead": "2.544544062"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the Methane adsorption energy (CH4Ead) for the Base {} combined with Dope {}."}
{"question": "What is the reference number (Ref.) for the perovskite oxide La0.5Bi0.2Ba0.2Mn0.1FeO3 synthesized via method 3 at 900℃?", "refer_dataset": "table11", "column names": ["Molecular formulas", "PM", "CT (℃)", "Ref."], "condition_column": ["Molecular formulas", "PM", "CT (℃)"], "answer_column": ["Ref."], "condition": {"Molecular formulas": "La0.5Bi0.2Ba0.2Mn0.1FeO3", "PM": "3", "CT (℃)": "900"}, "tool": "search_value", "answer": {"Ref.": "[28]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the reference number (Ref.) for the perovskite oxide {} synthesized via method {} at {}℃?"}
{"question": "Determine the thermodynamic stability for materials with a band gap energy of 0.369.", "refer_dataset": "table57", "column names": ["_oqmd_band_gap", "_oqmd_stability"], "condition_column": ["_oqmd_band_gap"], "answer_column": ["_oqmd_stability"], "condition": {"_oqmd_band_gap": "0.369"}, "tool": "search_value", "answer": {"_oqmd_stability": "0.0007046750000001"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the thermodynamic stability for materials with a band gap energy of {}."}
{"question": "Which parsed authors correspond to papers in astro-ph category published in Astrophys.J.663:1149-1173,2007 journal?", "refer_dataset": "table45", "column names": ["categories", "journal-ref", "authors_parsed"], "condition_column": ["categories", "journal-ref"], "answer_column": ["authors_parsed"], "condition": {"categories": "astro-ph", "journal-ref": "Astrophys.J.663:1149-1173,2007"}, "tool": "search_value", "answer": {"authors_parsed": "[['Harvey', 'Paul', ''], ['Merin', 'Bruno', ''], ['Huard', 'Tracy L.', ''], ['Rebull', 'Luisa M.', ''], ['Chapman', 'Nicholas', ''], ['Evans', 'Neal J.', 'II'], ['Myers', 'Philip C.', '']]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which parsed authors correspond to papers in {} category published in {} journal?"}
{"question": "What is the spectrolimited efficiency (SLME) for materials with spg_symbol P312 and job identifier JVASP-76309?", "refer_dataset": "table48", "column names": ["spg_symbol", "jid", "slme"], "condition_column": ["spg_symbol", "jid"], "answer_column": ["slme"], "condition": {"spg_symbol": "P312", "jid": "JVASP-76309"}, "tool": "search_value", "answer": {"slme": "27.03"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the spectrolimited efficiency (SLME) for materials with spg_symbol {} and job identifier {}?"}
{"question": "What is the reference number for the experiment testing n-Nitrosodimethylamine with nanoparticle dose 0.5 g/L?", "refer_dataset": "table9", "column names": ["OC", "D, g/L", "Ref"], "condition_column": ["OC", "D, g/L"], "answer_column": ["Ref"], "condition": {"OC": "n-Nitrosodimethylamine", "D, g/L": "0.5"}, "tool": "search_value", "answer": {"Ref": "18"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the reference number for the experiment testing {} with nanoparticle dose {} g/L?"}
{"question": "What bicarbonate (HCO3) ion concentration results from Ca ion 154 mM, solvent type Propylene glycol, and synthesis time 40 min 9 sec?", "refer_dataset": "table42", "column names": ["Ca ion, mM", "Solvent type", "Synthesis time", "HCO3 ion, mM"], "condition_column": ["Ca ion, mM", "Solvent type", "Synthesis time"], "answer_column": ["HCO3 ion, mM"], "condition": {"Ca ion, mM": "154", "Solvent type": "Propylene glycol", "Synthesis time": "40 min 9 sec"}, "tool": "search_value", "answer": {"HCO3 ion, mM": "42"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What bicarbonate (HCO3) ion concentration results from Ca ion {} mM, solvent type {}, and synthesis time {}?"}
{"question": "Given the optimized structure C#N (SMILES_relaxed) and a Gibbs free energy (G) of 6.14002915286456, what is its primary vibrational frequency (omega1)?", "refer_dataset": "table61", "column names": ["SMILES_relaxed", "G", "omega1"], "condition_column": ["SMILES_relaxed", "G"], "answer_column": ["omega1"], "condition": {"SMILES_relaxed": "C#N", "G": "6.14002915286456"}, "tool": "search_value", "answer": {"omega1": "-0.05150640578993"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given the optimized structure {} (SMILES_relaxed) and a Gibbs free energy (G) of {}, what is its primary vibrational frequency (omega1)?"}
{"question": "Which subject category is assigned to the paper titled Numerical solution of shock and ramp compression for general material\n  properties?", "refer_dataset": "table45", "column names": ["title", "categories"], "condition_column": ["title"], "answer_column": ["categories"], "condition": {"title": "Numerical solution of shock and ramp compression for general material\n  properties"}, "tool": "search_value", "answer": {"categories": "cond-mat.mtrl-sci"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which subject category is assigned to the paper titled {}?"}
{"question": "Reveal the bulk modulus (Kv) of the material with formula CoH2SeO4 and functional OptB88vdW?", "refer_dataset": "table48", "column names": ["formula", "func", "bulk_modulus_kv"], "condition_column": ["formula", "func"], "answer_column": ["bulk_modulus_kv"], "condition": {"formula": "CoH2SeO4", "func": "OptB88vdW"}, "tool": "search_value", "answer": {"bulk_modulus_kv": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Reveal the bulk modulus (Kv) of the material with formula {} and functional {}?"}
{"question": "What is the formula_energy value associated with material ID 1917?", "refer_dataset": "table64", "column names": ["id", "formula_energy"], "condition_column": ["id"], "answer_column": ["formula_energy"], "condition": {"id": "1917"}, "tool": "search_value", "answer": {"formula_energy": "-2.47536769923"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formula_energy value associated with material ID {}?"}
{"question": "What is the cycle2 performance for a perovskite with secondary A2 site La, secondary B2 site Cr, and cycle duration 2.5 hours?", "refer_dataset": "table5", "column names": ["A2 site", "B2 site", "Duration of cycles (h)", "cycle2"], "condition_column": ["A2 site", "B2 site", "Duration of cycles (h)"], "answer_column": ["cycle2"], "condition": {"A2 site": "La", "B2 site": "Cr", "Duration of cycles (h)": "2.5"}, "tool": "search_value", "answer": {"cycle2": "648"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the cycle2 performance for a perovskite with secondary A2 site {}, secondary B2 site {}, and cycle duration {} hours?"}
{"question": "Which solvent type is paired with a surfactant percentage of 0.425 wt.%?", "refer_dataset": "table42", "column names": ["Surfactant, % wt.", "Solvent type"], "condition_column": ["Surfactant, % wt."], "answer_column": ["Solvent type"], "condition": {"Surfactant, % wt.": "0.425"}, "tool": "search_value", "answer": {"Solvent type": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which solvent type is paired with a surfactant percentage of {} wt.%?"}
{"question": "What is the total energy after optimization for a system with an OptB88-vdW bandgap of -109.64061114 and a conduction band minimum (CBM) of -0.1169999999999999?", "refer_dataset": "table52", "column names": ["final_energy", "optb88vdw_bandgap", "optb88vdw_cbm"], "condition_column": ["final_energy", "optb88vdw_bandgap"], "answer_column": ["optb88vdw_cbm"], "condition": {"final_energy": "-109.64061114", "optb88vdw_bandgap": "-0.1169999999999999"}, "tool": "search_value", "answer": {"optb88vdw_cbm": "3.6149"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total energy after optimization for a system with an OptB88-vdW bandgap of {} and a conduction band minimum (CBM) of {}?"}
{"question": "What is the ionic octahedral stability ratio (octahedral_factor_ionic) for a material with EnergyAboveHull of 94.5062097102 and 0 unfilled d-orbital electrons?", "refer_dataset": "table37", "column names": ["EnergyAboveHull", "Bsite_NdValence_range", "octahedral_factor_ionic"], "condition_column": ["EnergyAboveHull", "Bsite_NdValence_range"], "answer_column": ["octahedral_factor_ionic"], "condition": {"EnergyAboveHull": "94.5062097102", "Bsite_NdValence_range": "0"}, "tool": "search_value", "answer": {"octahedral_factor_ionic": "0.442857142857"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ionic octahedral stability ratio (octahedral_factor_ionic) for a material with EnergyAboveHull of {} and {} unfilled d-orbital electrons?"}
{"question": "Which reference ID documents the elastic tensor properties of material Ti2N in space group P4_2/mnm?", "refer_dataset": "table53", "column names": ["formula", "spg", "ref"], "condition_column": ["formula", "spg"], "answer_column": ["ref"], "condition": {"formula": "Ti2N", "spg": "P4_2/mnm"}, "tool": "search_value", "answer": {"ref": "mp-8282"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which reference ID documents the elastic tensor properties of material {} in space group {}?"}
{"question": "Identify the atomic energy (atom_en) for the material sourced from -4.80599 with a total dielectric constant of Huan_etal:SciDat(submitted).", "refer_dataset": "table58", "column names": ["atom_en", "src", "diel_tot"], "condition_column": ["atom_en", "src"], "answer_column": ["diel_tot"], "condition": {"atom_en": "-4.80599", "src": "Huan_etal:SciDat(submitted)"}, "tool": "search_value", "answer": {"diel_tot": "9.63351"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the atomic energy (atom_en) for the material sourced from {} with a total dielectric constant of {}."}
{"question": "Report the job identifier for the bulk formula Cl with defect energy -2.98530497.", "refer_dataset": "table68", "column names": ["bulk_formula", "defective_energy", "jid"], "condition_column": ["bulk_formula", "defective_energy"], "answer_column": ["jid"], "condition": {"bulk_formula": "Cl", "defective_energy": "-2.98530497"}, "tool": "search_value", "answer": {"jid": "JVASP-25104"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the job identifier for the bulk formula {} with defect energy {}."}
{"question": "What is the shear modulus of a material with elastic anisotropy 0.2662496610371878 and formula Al(CoSi)2?", "refer_dataset": "table56", "column names": ["elastic anisotropy", "formula", "shear modulus"], "condition_column": ["elastic anisotropy", "formula"], "answer_column": ["shear modulus"], "condition": {"elastic anisotropy": "0.2662496610371878", "formula": "Al(CoSi)2"}, "tool": "search_value", "answer": {"shear modulus": "96.25554322321535"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the shear modulus of a material with elastic anisotropy {} and formula {}?"}
{"question": "What is the numerical identifier (name) for the compound with Job Identifier cc-7?", "refer_dataset": "table46", "column names": ["jid", "name"], "condition_column": ["jid"], "answer_column": ["name"], "condition": {"jid": "cc-7"}, "tool": "search_value", "answer": {"name": "7"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the numerical identifier (name) for the compound with Job Identifier {}?"}
{"question": "What are the elastic properties of the material composed of ['Ni', 'Tm'] with a density of 9.882065394130745?", "refer_dataset": "table55", "column names": ["elements", "density", "elasticity"], "condition_column": ["elements", "density"], "answer_column": ["elasticity"], "condition": {"elements": "['Ni', 'Tm']", "density": "9.882065394130745"}, "tool": "search_value", "answer": {"elasticity": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What are the elastic properties of the material composed of {} with a density of {}?"}
{"question": "For Job ID cc-10, what is the crystal structure lattice matrix data (atoms)?", "refer_dataset": "table46", "column names": ["jid", "atoms"], "condition_column": ["jid"], "answer_column": ["atoms"], "condition": {"jid": "cc-10"}, "tool": "search_value", "answer": {"atoms": "{'lattice_mat': [[15, 0, 0], [0, 15, 0], [0, 0, 15]], 'coords': [[-0.031971, -0.42437, 0.0], [-0.031971, 1.547222, 0.0], [1.451436, -0.552128, 0.0], [-1.081414, 1.847848, 0.0], [0.454403, 1.924771, 0.899526], [0.454403, 1.924771, -0.899526]], 'elements': ['Se', 'C', 'H', 'H', 'H', 'H'], 'abc': [15.0, 15.0, 15.0], 'angles': [90.0, 90.0, 90.0], 'cartesian': True, 'props': ['', '', '', '', '', '']}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For Job ID {}, what is the crystal structure lattice matrix data (atoms)?"}
{"question": "Which Dope element is used in the Composition BeN?", "refer_dataset": "table24", "column names": ["Composition", "Dope"], "condition_column": ["Composition"], "answer_column": ["Dope"], "condition": {"Composition": "BeN"}, "tool": "search_value", "answer": {"Dope": "N"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which Dope element is used in the Composition {}?"}
{"question": "Determine the COₓ selectivity at a methane partial pressure of 0.48.", "refer_dataset": "table20", "column names": ["CH4-pressure", "COx"], "condition_column": ["CH4-pressure"], "answer_column": ["COx"], "condition": {"CH4-pressure": "0.48"}, "tool": "search_value", "answer": {"COx": "48.4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the COₓ selectivity at a methane partial pressure of {}."}
{"question": "Find the partial pressure of argon (Par) when the methane partial pressure (Pch4) is 0.13, oxygen partial pressure (Po2) is 0.07, and temperature is 750°C.", "refer_dataset": "table28", "column names": ["Pch4", "Po2", "Temperature", "Par"], "condition_column": ["Pch4", "Po2", "Temperature"], "answer_column": ["Par"], "condition": {"Pch4": "0.13", "Po2": "0.07", "Temperature": "750"}, "tool": "search_value", "answer": {"Par": "0.8"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the partial pressure of argon (Par) when the methane partial pressure (Pch4) is {}, oxygen partial pressure (Po2) is {}, and temperature is {}°C."}
{"question": "What is the bulk energy value for the material with job identifier JVASP-943?", "refer_dataset": "table68", "column names": ["jid", "bulk_energy"], "condition_column": ["jid"], "answer_column": ["bulk_energy"], "condition": {"jid": "JVASP-943"}, "tool": "search_value", "answer": {"bulk_energy": "-149.05944"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk energy value for the material with job identifier {}?"}
{"question": "What is the band gap of the material composed of elements ['I', 'Pt', 'Y']?", "refer_dataset": "table55", "column names": ["elements", "band_gap"], "condition_column": ["elements"], "answer_column": ["band_gap"], "condition": {"elements": "['I', 'Pt', 'Y']"}, "tool": "search_value", "answer": {"band_gap": "0.7681000000000004"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band gap of the material composed of elements {}?"}
{"question": "What is the abstract of the paper titled A determinant of Stirling cycle numbers counts unlabeled acyclic\n  single-source automata, submitted by David Callan?", "refer_dataset": "table45", "column names": ["title", "submitter", "abstract"], "condition_column": ["title", "submitter"], "answer_column": ["abstract"], "condition": {"title": "A determinant of Stirling cycle numbers counts unlabeled acyclic\n  single-source automata", "submitter": "David Callan"}, "tool": "search_value", "answer": {"abstract": "  We show that a determinant of Stirling cycle numbers counts unlabeled acyclic\nsingle-source automata. The proof involves a bijection from these automata to\ncertain marked lattice paths and a sign-reversing involution to evaluate the\ndeterminant.\n"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the abstract of the paper titled {}, submitted by {}?"}
{"question": "What is the Eg(eV) value for a photocatalyst calcined at 2.6 K?", "refer_dataset": "table1", "column names": ["Eg(eV)", "Calcination temperature(K)"], "condition_column": ["Eg(eV)"], "answer_column": ["Calcination temperature(K)"], "condition": {"Eg(eV)": "2.6"}, "tool": "search_value", "answer": {"Calcination temperature(K)": "1423.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Eg(eV) value for a photocatalyst calcined at {} K?"}
{"question": "What is the reaction energy (eV) for adsorbed carbon * and hydrogen CO on surface -110?", "refer_dataset": "table18", "column names": ["b", "a", "surfaces", "reaction_energy"], "condition_column": ["b", "a", "surfaces"], "answer_column": ["reaction_energy"], "condition": {"b": "*", "a": "CO", "surfaces": "-110"}, "tool": "search_value", "answer": {"reaction_energy": "1.627"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the reaction energy (eV) for adsorbed carbon {} and hydrogen {} on surface {}?"}
{"question": "Provide the ID for the material with formula K2O3Si and formula_energy -2.66534476833.", "refer_dataset": "table64", "column names": ["formula", "formula_energy", "id"], "condition_column": ["formula", "formula_energy"], "answer_column": ["id"], "condition": {"formula": "K2O3Si", "formula_energy": "-2.66534476833"}, "tool": "search_value", "answer": {"id": "1305"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the ID for the material with formula {} and formula_energy {}."}
{"question": "What is the Kramers status of the lanthanide ion in the compound with formula [Tb(SiW11O39)2]13- and CIF filename 4301917.cif?", "refer_dataset": "table34", "column names": ["compound", "CIF_file_name", "Ln_Kramers"], "condition_column": ["compound", "CIF_file_name"], "answer_column": ["Ln_Kramers"], "condition": {"compound": "[Tb(SiW11O39)2]13-", "CIF_file_name": "4301917.cif"}, "tool": "search_value", "answer": {"Ln_Kramers": "Non-Kramers"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Kramers status of the lanthanide ion in the compound with formula {} and CIF filename {}?"}
{"question": "What is the overpotential in acidic conditions for an article published by Guangdong Univ Technol (Facility) in the journal ACS SUSTAINABLE CHEMISTRY & ENGINEERING?", "refer_dataset": "table13", "column names": ["Facility", "Journal_Name", "Acid_OVP"], "condition_column": ["Facility", "Journal_Name"], "answer_column": ["Acid_OVP"], "condition": {"Facility": "Guangdong Univ Technol", "Journal_Name": "ACS SUSTAINABLE CHEMISTRY & ENGINEERING"}, "tool": "search_value", "answer": {"Acid_OVP": "105.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the overpotential in acidic conditions for an article published by {} (Facility) in the journal {}?"}
{"question": "What is the secondary B2 site cation in the perovskite referenced as [A85]?", "refer_dataset": "table5", "column names": ["Ref", "B2 site"], "condition_column": ["Ref"], "answer_column": ["B2 site"], "condition": {"Ref": "[A85]"}, "tool": "search_value", "answer": {"B2 site": "Rh"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary B2 site cation in the perovskite referenced as {}?"}
{"question": "Determine the band alignment offset for a system with a final optimized energy of -137.42710336.", "refer_dataset": "table52", "column names": ["final_energy", "offset"], "condition_column": ["final_energy"], "answer_column": ["offset"], "condition": {"final_energy": "-137.42710336"}, "tool": "search_value", "answer": {"offset": "-0.31134686625131147"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the band alignment offset for a system with a final optimized energy of {}."}
{"question": "Which space group does the SNUMAT_id SM-16973 material adopt after structural relaxation?", "refer_dataset": "table63", "column names": ["SNUMAT_id", "Space_group_rlx"], "condition_column": ["SNUMAT_id"], "answer_column": ["Space_group_rlx"], "condition": {"SNUMAT_id": "SM-16973"}, "tool": "search_value", "answer": {"Space_group_rlx": "156"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which space group does the SNUMAT_id {} material adopt after structural relaxation?"}
{"question": "What is the Yield (μmol/g/h) for a Bi type of BiVO4, light source of UV, and reaction medium of gas-solid?", "refer_dataset": "table10", "column names": ["Bi type in photocatalyst", "light source", "Reaction medium", "Yield (μmol/g/h)"], "condition_column": ["Bi type in photocatalyst", "light source", "Reaction medium"], "answer_column": ["Yield (μmol/g/h)"], "condition": {"Bi type in photocatalyst": "BiVO4", "light source": "UV", "Reaction medium": "gas-solid"}, "tool": "search_value", "answer": {"Yield (μmol/g/h)": "8.3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Yield (μmol/g/h) for a Bi type of {}, light source of {}, and reaction medium of {}?"}
{"question": "What is the electron affinity of element B (EAb) when its first ionization energy (I1b) is 7.536?", "refer_dataset": "table2", "column names": ["I1b", "EAb"], "condition_column": ["I1b"], "answer_column": ["EAb"], "condition": {"I1b": "7.536"}, "tool": "search_value", "answer": {"EAb": "34.11"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electron affinity of element B (EAb) when its first ionization energy (I1b) is {}?"}
{"question": "What is the entry ID of a material with delta_e 0.22691826560345 and band gap 0.0?", "refer_dataset": "table57", "column names": ["_oqmd_delta_e", "_oqmd_band_gap", "_oqmd_entry_id"], "condition_column": ["_oqmd_delta_e", "_oqmd_band_gap"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_delta_e": "0.22691826560345", "_oqmd_band_gap": "0.0"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "472984.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the entry ID of a material with delta_e {} and band gap {}?"}
{"question": "What is the Methane adsorption energy (CH4Ead) when the Composition is BeN and Dope is N?", "refer_dataset": "table24", "column names": ["Composition", "Dope", "CH4Ead"], "condition_column": ["Composition", "Dope"], "answer_column": ["CH4Ead"], "condition": {"Composition": "BeN", "Dope": "N"}, "tool": "search_value", "answer": {"CH4Ead": "0.1343645818"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Methane adsorption energy (CH4Ead) when the Composition is {} and Dope is {}?"}
{"question": "What is the reaction rate constant logarithm (-log(k)) for Sulfisoxazole at light intensity 1.51 mW/cm²?", "refer_dataset": "table9", "column names": ["OC", "I, mW/cm2", "-log(k), min-1"], "condition_column": ["OC", "I, mW/cm2"], "answer_column": ["-log(k), min-1"], "condition": {"OC": "Sulfisoxazole", "I, mW/cm2": "1.51"}, "tool": "search_value", "answer": {"-log(k), min-1": "1.2596"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the reaction rate constant logarithm (-log(k)) for {} at light intensity {} mW/cm²?"}
{"question": "What is the PBE decomposition energy for the perovskite material identified by Perov-1?", "refer_dataset": "table49", "column names": ["id", "PBE_decomp_energy"], "condition_column": ["id"], "answer_column": ["PBE_decomp_energy"], "condition": {"id": "Perov-1"}, "tool": "search_value", "answer": {"PBE_decomp_energy": "-0.39"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the PBE decomposition energy for the perovskite material identified by {}?"}
{"question": "What is the R-factor observed (Robs) for the COD file 1000033?", "refer_dataset": "table38", "column names": ["file", "Robs"], "condition_column": ["file"], "answer_column": ["Robs"], "condition": {"file": "1000033"}, "tool": "search_value", "answer": {"Robs": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the R-factor observed (Robs) for the COD file {}?"}
{"question": "What is the ethylene yield percentage when M1 is 1,7, M2 is none, and support material is none?", "refer_dataset": "table27", "column names": ["C2H4 yield(%)", "M1", "M2", "Support"], "condition_column": ["C2H4 yield(%)", "M1", "M2"], "answer_column": ["Support"], "condition": {"C2H4 yield(%)": "1,7", "M1": "none", "M2": "none"}, "tool": "search_value", "answer": {"Support": "none"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ethylene yield percentage when M1 is {}, M2 is {}, and support material is {}?"}
{"question": "Which authors contributed to the paper titled Y. H. Pong and C. K. Law?", "refer_dataset": "table45", "column names": ["authors", "title"], "condition_column": ["authors"], "answer_column": ["title"], "condition": {"authors": "Y. H. Pong and C. K. Law"}, "tool": "search_value", "answer": {"title": "Bosonic characters of atomic Cooper pairs across resonance"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which authors contributed to the paper titled {}?"}
{"question": "Determine the journal impact factor for an article published by the institution Sichuan Univ Sci & Engn in Peoples R China country.", "refer_dataset": "table13", "column names": ["Facility", "Country", "IF"], "condition_column": ["Facility", "Country"], "answer_column": ["IF"], "condition": {"Facility": "Sichuan Univ Sci & Engn", "Country": "Peoples R China"}, "tool": "search_value", "answer": {"IF": "3.756"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the journal impact factor for an article published by the institution {} in {} country."}
{"question": "What reference (Ref) corresponds to a photocatalyst with molecular formula [2], calcination time of La0.8875Sr0.1125Fe0.9625Ti0.0375O3 h, and Eg of 10.0 eV?", "refer_dataset": "table1", "column names": ["Ref", "Molecular formula", "Calcination time(h)", "Eg(eV)"], "condition_column": ["Ref", "Molecular formula", "Calcination time(h)"], "answer_column": ["Eg(eV)"], "condition": {"Ref": "[2]", "Molecular formula": "La0.8875Sr0.1125Fe0.9625Ti0.0375O3", "Calcination time(h)": "10.0"}, "tool": "search_value", "answer": {"Eg(eV)": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reference (Ref) corresponds to a photocatalyst with molecular formula {}, calcination time of {} h, and Eg of {} eV?"}
{"question": "Which journal published the article with DOI 10.1021/acs.iecr.9b00209?", "refer_dataset": "table13", "column names": ["DOI", "Journal_Name"], "condition_column": ["DOI"], "answer_column": ["Journal_Name"], "condition": {"DOI": "10.1021/acs.iecr.9b00209"}, "tool": "search_value", "answer": {"Journal_Name": "INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which journal published the article with DOI {}?"}
{"question": "What is the atomic radius of element B (Rb) in materials where the first ionization energy of A (I1a) is 6.013 kJ/mol and the molar mass (M) is 209.37 g/mol?", "refer_dataset": "table3", "column names": ["I1a", "M", "Rb"], "condition_column": ["I1a", "M"], "answer_column": ["Rb"], "condition": {"I1a": "6.013", "M": "209.37"}, "tool": "search_value", "answer": {"Rb": "64.6"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the atomic radius of element B (Rb) in materials where the first ionization energy of A (I1a) is {} kJ/mol and the molar mass (M) is {} g/mol?"}
{"question": "Which Dope element is used in the Composition BeLi?", "refer_dataset": "table24", "column names": ["Composition", "Dope"], "condition_column": ["Composition"], "answer_column": ["Dope"], "condition": {"Composition": "BeLi"}, "tool": "search_value", "answer": {"Dope": "Li"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which Dope element is used in the Composition {}?"}
{"question": "Report the total magnetization for the compound with ICSD ID [160213].", "refer_dataset": "table55", "column names": ["icsd_ids", "total_magnetization"], "condition_column": ["icsd_ids"], "answer_column": ["total_magnetization"], "condition": {"icsd_ids": "[160213]"}, "tool": "search_value", "answer": {"total_magnetization": "1.27e-05"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the total magnetization for the compound with ICSD ID {}."}
{"question": "What is the spectrolimited efficiency (SLME) for materials with spg_symbol P4/nmm and job identifier JVASP-6667?", "refer_dataset": "table48", "column names": ["spg_symbol", "jid", "slme"], "condition_column": ["spg_symbol", "jid"], "answer_column": ["slme"], "condition": {"spg_symbol": "P4/nmm", "jid": "JVASP-6667"}, "tool": "search_value", "answer": {"slme": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the spectrolimited efficiency (SLME) for materials with spg_symbol {} and job identifier {}?"}
{"question": "Calculate the energy gap (gap) for a material with HOMO energy -7.741639137268066, LUMO energy 1.3768961429595947, and ID 3.0.", "refer_dataset": "table60", "column names": ["homo", "lumo", "id", "gap"], "condition_column": ["homo", "lumo", "id"], "answer_column": ["gap"], "condition": {"homo": "-7.741639137268066", "lumo": "1.3768961429595947", "id": "3.0"}, "tool": "search_value", "answer": {"gap": "9.118535041809082"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the energy gap (gap) for a material with HOMO energy {}, LUMO energy {}, and ID {}."}
{"question": "What desorption temperature (DT) corresponds to the molecular formula LaMg0.4Cr0.6O3?", "refer_dataset": "table11", "column names": ["Molecular formulas", "DT (℃)"], "condition_column": ["Molecular formulas"], "answer_column": ["DT (℃)"], "condition": {"Molecular formulas": "LaMg0.4Cr0.6O3"}, "tool": "search_value", "answer": {"DT (℃)": "100"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What desorption temperature (DT) corresponds to the molecular formula {}?"}
{"question": "Which source database contains the material with pore limiting diameter 1.1857 Å?", "refer_dataset": "table62", "column names": ["pld", "source"], "condition_column": ["pld"], "answer_column": ["source"], "condition": {"pld": "1.1857"}, "tool": "search_value", "answer": {"source": "CSD"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which source database contains the material with pore limiting diameter {} Å?"}
{"question": "Provide the ID for the material with formula Fe3W2 and formula_energy -0.1084102642.", "refer_dataset": "table64", "column names": ["formula", "formula_energy", "id"], "condition_column": ["formula", "formula_energy"], "answer_column": ["id"], "condition": {"formula": "Fe3W2", "formula_energy": "-0.1084102642"}, "tool": "search_value", "answer": {"id": "1057"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the ID for the material with formula {} and formula_energy {}."}
{"question": "If feature 45 is SrIrO3, which perovskite compound matches this value?", "refer_dataset": "table14", "column names": ["Perovskite", "45"], "condition_column": ["Perovskite"], "answer_column": ["45"], "condition": {"Perovskite": "SrIrO3"}, "tool": "search_value", "answer": {"45": "-0.00547"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If feature 45 is {}, which perovskite compound matches this value?"}
{"question": "Which catalyst support material is used when the C₂ yield is 2.0%?", "refer_dataset": "table23", "column names": ["C2 yield (%)", "Support"], "condition_column": ["C2 yield (%)"], "answer_column": ["Support"], "condition": {"C2 yield (%)": "2.0"}, "tool": "search_value", "answer": {"Support": "Al2O3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which catalyst support material is used when the C₂ yield is {}%?"}
{"question": "Under a temperature of 800.0°C, what is the M1 element if the support is BaO and CO2 yield is 3.2%?", "refer_dataset": "table26", "column names": ["Temp (oC)", "Support", "CO2 yield (%)", "M1"], "condition_column": ["Temp (oC)", "Support", "CO2 yield (%)"], "answer_column": ["M1"], "condition": {"Temp (oC)": "800.0", "Support": "BaO", "CO2 yield (%)": "3.2"}, "tool": "search_value", "answer": {"M1": "Mo"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Under a temperature of {}°C, what is the M1 element if the support is {} and CO2 yield is {}%?"}
{"question": "How many elements does a material with energy above hull of 1.3344706112499995 contain?", "refer_dataset": "table55", "column names": ["e_above_hull", "nelements"], "condition_column": ["e_above_hull"], "answer_column": ["nelements"], "condition": {"e_above_hull": "1.3344706112499995"}, "tool": "search_value", "answer": {"nelements": "2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many elements does a material with energy above hull of {} contain?"}
{"question": "What is the melting temperature of component A (A_Tm) for the material Sr0.9La0.1Ti0.9Cr0.1O3?", "refer_dataset": "table2", "column names": ["Materials", "A_Tm"], "condition_column": ["Materials"], "answer_column": ["A_Tm"], "condition": {"Materials": "Sr0.9La0.1Ti0.9Cr0.1O3"}, "tool": "search_value", "answer": {"A_Tm": "791.1"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the melting temperature of component A (A_Tm) for the material {}?"}
{"question": "What is the chemical family classification for the compound with the formula [Pc2Dy]TBA:[Pc2Y]TBA = 1/50?", "refer_dataset": "table34", "column names": ["compound", "chemical_family"], "condition_column": ["compound"], "answer_column": ["chemical_family"], "condition": {"compound": "[Pc2Dy]TBA:[Pc2Y]TBA = 1/50"}, "tool": "search_value", "answer": {"chemical_family": "LnPc2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical family classification for the compound with the formula {}?"}
{"question": "Which primary metal (M1) is used with the support material Cu?", "refer_dataset": "table28", "column names": ["Support", "M1"], "condition_column": ["Support"], "answer_column": ["M1"], "condition": {"Support": "Cu"}, "tool": "search_value", "answer": {"M1": "Y"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which primary metal (M1) is used with the support material {}?"}
{"question": "Determine the post-simulation atomic structure (final_atoms) for surface material B.", "refer_dataset": "table66", "column names": ["formula", "final_atoms"], "condition_column": ["formula"], "answer_column": ["final_atoms"], "condition": {"formula": "B"}, "tool": "search_value", "answer": {"final_atoms": "{'lattice_mat': [[4.89330511, -0.0, -0.0], [-2.44665248, 4.23772658, -0.0], [-0.0, 0.0, 39.85555134]], 'coords': [[0.61874416, 0.38125586, 0.27855816], [0.61691997, 0.38308005, 0.59388441], [0.61874414, 0.73748828, 0.27855816], [0.61691995, 0.7338399, 0.59388441], [0.26251173, 0.38125586, 0.27855816], [0.26616011, 0.38308005, 0.59388441], [0.07077324, 0.28538662, 0.24210745], [0.07057426, 0.28528713, 0.55685152], [0.7146134, 0.28538662, 0.24210745], [0.71471289, 0.28528713, 0.55685152], [0.71461339, 0.92922677, 0.24210745], [0.71471287, 0.92942574, 0.55685152], [0.02999595, 0.97000405, 0.2155478], [0.0302738, 0.96972619, 0.53018248], [0.02999593, 0.55999189, 0.2155478], [0.03027379, 0.5605476, 0.53018248], [0.4400081, 0.97000405, 0.2155478], [0.43945238, 0.96972619, 0.53018248], [0.89324146, 0.69662073, 0.30511579], [0.94336935, 0.72168467, 0.6111378], [0.30337925, 0.69662073, 0.30511579], [0.27831531, 0.72168467, 0.6111378], [0.30337927, 0.10675854, 0.30511579], [0.27831532, 0.05663065, 0.6111378], [0.28528711, 0.71471287, 0.0686778], [0.2853866, 0.71461338, 0.38342186], [0.28528713, 0.07057426, 0.0686778], [0.28538661, 0.07077323, 0.38342186], [0.92942574, 0.71471287, 0.0686778], [0.92922676, 0.71461338, 0.38342186], [0.73383989, 0.61691995, 0.0316449], [0.73748827, 0.61874414, 0.34697115], [0.38308003, 0.61691995, 0.0316449], [0.38125584, 0.61874414, 0.34697115], [0.38308005, 0.2661601, 0.0316449], [0.38125586, 0.26251172, 0.34697115], [0.72168469, 0.27831533, 0.01439152], [0.69662075, 0.30337927, 0.32041353], [0.72168468, 0.94336935, 0.01439152], [0.69662073, 0.89324146, 0.32041353], [0.05663065, 0.27831533, 0.01439152], [0.10675854, 0.30337927, 0.32041353], [0.56054762, 0.03027381, 0.09534683], [0.5599919, 0.02999595, 0.40998151], [0.9697262, 0.03027381, 0.09534683], [0.97000405, 0.02999595, 0.40998151], [0.96972621, 0.4394524, 0.09534683], [0.97000407, 0.44000811, 0.40998151], [0.95210801, 0.047892, 0.17366671], [0.95199413, 0.04800587, 0.48831822], [0.95210802, 0.40421602, 0.17366671], [0.95199414, 0.40398827, 0.48831822], [0.595784, 0.047892, 0.17366671], [0.59601175, 0.04800587, 0.48831822], [0.40398825, 0.95199413, 0.13721109], [0.404216, 0.952108, 0.4518626], [0.04800587, 0.95199413, 0.13721109], [0.04789199, 0.952108, 0.4518626], [0.04800586, 0.59601173, 0.13721109], [0.04789198, 0.59578398, 0.4518626], [0.36350571, 0.63649427, 0.11065355], [0.36333048, 0.6366695, 0.42529181], [0.36350573, 0.22701145, 0.11065355], [0.36333049, 0.22666099, 0.42529181], [0.77298854, 0.63649427, 0.11065355], [0.77333901, 0.6366695, 0.42529181], [0.22666099, 0.3633305, 0.2002375], [0.22701146, 0.36350573, 0.51487577], [0.63666952, 0.3633305, 0.2002375], [0.63649429, 0.36350573, 0.51487577], [0.63666951, 0.77333901, 0.2002375], [0.63649427, 0.77298855, 0.51487577]], 'elements': ['B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B'], 'abc': [4.89331, 4.893307, 39.85555], 'angles': [90.0, 90.0, 120.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the post-simulation atomic structure (final_atoms) for surface material {}."}
{"question": "What is the lattice parameter a for the COD CIF file 1000006?", "refer_dataset": "table38", "column names": ["file", "a"], "condition_column": ["file"], "answer_column": ["a"], "condition": {"file": "1000006"}, "tool": "search_value", "answer": {"a": "10.93"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the lattice parameter a for the COD CIF file {}?"}
{"question": "Which organic compound required a light intensity of 0.176 mW/cm² and pH 3.6 to achieve -log(k) 0.406?", "refer_dataset": "table9", "column names": ["I, mW/cm2", "pH", "-log(k), min-1", "OC"], "condition_column": ["I, mW/cm2", "pH", "-log(k), min-1"], "answer_column": ["OC"], "condition": {"I, mW/cm2": "0.176", "pH": "3.6", "-log(k), min-1": "0.406"}, "tool": "search_value", "answer": {"OC": "Salicyclic acid"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which organic compound required a light intensity of {} mW/cm² and pH {} to achieve -log(k) {}?"}
{"question": "What is the melting temperature of component B (B_Tm) when element B’s density (ρb) is 13.27, boiling temperature (B_Tb) is 5172.4, and electron affinity (EAb) is 53.14?", "refer_dataset": "table2", "column names": ["ρb", "B_Tb", "EAb", "B_Tm"], "condition_column": ["ρb", "B_Tb", "EAb"], "answer_column": ["B_Tm"], "condition": {"ρb": "13.27", "B_Tb": "5172.4", "EAb": "53.14"}, "tool": "search_value", "answer": {"B_Tm": "2795.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the melting temperature of component B (B_Tm) when element B’s density (ρb) is {}, boiling temperature (B_Tb) is {}, and electron affinity (EAb) is {}?"}
{"question": "What is the electronic band gap energy value for the material with database entry ID 472983.0?", "refer_dataset": "table57", "column names": ["_oqmd_entry_id", "_oqmd_band_gap"], "condition_column": ["_oqmd_entry_id"], "answer_column": ["_oqmd_band_gap"], "condition": {"_oqmd_entry_id": "472983.0"}, "tool": "search_value", "answer": {"_oqmd_band_gap": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic band gap energy value for the material with database entry ID {}?"}
{"question": "Which source database contains the material with pore limiting diameter 2.36128 Å?", "refer_dataset": "table62", "column names": ["pld", "source"], "condition_column": ["pld"], "answer_column": ["source"], "condition": {"pld": "2.36128"}, "tool": "search_value", "answer": {"source": "CSD"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which source database contains the material with pore limiting diameter {} Å?"}
{"question": "What is the C₂ yield (%) for a CH4/O2 ratio of 4.0 with Support Al2O3 and PAr 0.4 atm?", "refer_dataset": "table23", "column names": ["CH4/O2 (mol/mol)", "Support", "PAr (atm)", "C2 yield (%)"], "condition_column": ["CH4/O2 (mol/mol)", "Support", "PAr (atm)"], "answer_column": ["C2 yield (%)"], "condition": {"CH4/O2 (mol/mol)": "4.0", "Support": "Al2O3", "PAr (atm)": "0.4"}, "tool": "search_value", "answer": {"C2 yield (%)": "11.5"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the C₂ yield (%) for a CH4/O2 ratio of {} with Support {} and PAr {} atm?"}
{"question": "What is the electronic permittivity (Eps_elec) of the perovskite with a HSE bandgap of 2.64 eV and a PBE decomposition energy of 0.04 eV?", "refer_dataset": "table49", "column names": ["HSE_gap", "PBE_decomp_energy", "Eps_elec"], "condition_column": ["HSE_gap", "PBE_decomp_energy"], "answer_column": ["Eps_elec"], "condition": {"HSE_gap": "2.64", "PBE_decomp_energy": "0.04"}, "tool": "search_value", "answer": {"Eps_elec": "5.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic permittivity (Eps_elec) of the perovskite with a HSE bandgap of {} eV and a PBE decomposition energy of {} eV?"}
{"question": "Determine the similarity score for the perovskite compound LaCoO3.", "refer_dataset": "table14", "column names": ["Perovskite", "similarity"], "condition_column": ["Perovskite"], "answer_column": ["similarity"], "condition": {"Perovskite": "LaCoO3"}, "tool": "search_value", "answer": {"similarity": "0.318801"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the similarity score for the perovskite compound {}."}
{"question": "What is the bulk energy value for the material with job identifier JVASP-25273?", "refer_dataset": "table68", "column names": ["jid", "bulk_energy"], "condition_column": ["jid"], "answer_column": ["bulk_energy"], "condition": {"jid": "JVASP-25273"}, "tool": "search_value", "answer": {"bulk_energy": "53.89752"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk energy value for the material with job identifier {}?"}
{"question": "What band alignment offset occurs when the OptB88-vdW bandgap is -0.1169999999999999?", "refer_dataset": "table52", "column names": ["optb88vdw_bandgap", "offset"], "condition_column": ["optb88vdw_bandgap"], "answer_column": ["offset"], "condition": {"optb88vdw_bandgap": "-0.1169999999999999"}, "tool": "search_value", "answer": {"offset": "-1.0591856588034192"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What band alignment offset occurs when the OptB88-vdW bandgap is {}?"}
{"question": "What is the bulk modulus value for the material As, identified by its formula?", "refer_dataset": "table54", "column names": ["formula", "bulk modulus"], "condition_column": ["formula"], "answer_column": ["bulk modulus"], "condition": {"formula": "As"}, "tool": "search_value", "answer": {"bulk modulus": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk modulus value for the material {}, identified by its formula?"}
{"question": "What is the weight metal loading for a catalyst titled \"9,3%NiPt(3:1)/Al2O3Active\" using CO2,H2 as substrates?", "refer_dataset": "table29", "column names": ["title", "Substrates", "WeigthMetalLoading"], "condition_column": ["title", "Substrates"], "answer_column": ["WeigthMetalLoading"], "condition": {"title": "9,3%NiPt(3:1)/Al2O3Active", "Substrates": "CO2,H2"}, "tool": "search_value", "answer": {"WeigthMetalLoading": "Ni-4,40%/Pt-4,90%"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the weight metal loading for a catalyst titled \"{}\" using {} as substrates?"}
{"question": "How much Nickel (%) is required to achieve a gamma prime size of 80.6 nm with aging time 1.27h and aging temperature 4.0°C?", "refer_dataset": "table39", "column names": ["Ni", "γ＇相尺寸 (nm)", "时效时间t (h)", "时效温度T (℃)"], "condition_column": ["Ni", "γ＇相尺寸 (nm)", "时效时间t (h)"], "answer_column": ["时效温度T (℃)"], "condition": {"Ni": "80.6", "γ＇相尺寸 (nm)": "1.27", "时效时间t (h)": "4.0"}, "tool": "search_value", "answer": {"时效温度T (℃)": "600.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How much Nickel (%) is required to achieve a gamma prime size of {} nm with aging time {}h and aging temperature {}°C?"}
{"question": "What is the dipole moment (mu) for the material with identifier 2.0?", "refer_dataset": "table60", "column names": ["id", "mu"], "condition_column": ["id"], "answer_column": ["mu"], "condition": {"id": "2.0"}, "tool": "search_value", "answer": {"mu": "1.851099967956543"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the dipole moment (mu) for the material with identifier {}?"}
{"question": "Find the atomic radius ratio (Ra/Rb) where tolerance factor (t) = 0.89 and EAa = 41.505 eV.", "refer_dataset": "table3", "column names": ["t", "EAa", "Ra/Rb"], "condition_column": ["t", "EAa"], "answer_column": ["Ra/Rb"], "condition": {"t": "0.89", "EAa": "41.505"}, "tool": "search_value", "answer": {"Ra/Rb": "1.917"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the atomic radius ratio (Ra/Rb) where tolerance factor (t) = {} and EAa = {} eV."}
{"question": "What C₂ selectivity (%) is achieved at 900.0℃ with a total flow rate of 15.0 mL/min and CH4/O2 ratio of 2.0?", "refer_dataset": "table23", "column names": ["Temp. (℃)", "Total flow (mL/min)", "CH4/O2 (mol/mol)", "C2 selectivity (%)"], "condition_column": ["Temp. (℃)", "Total flow (mL/min)", "CH4/O2 (mol/mol)"], "answer_column": ["C2 selectivity (%)"], "condition": {"Temp. (℃)": "900.0", "Total flow (mL/min)": "15.0", "CH4/O2 (mol/mol)": "2.0"}, "tool": "search_value", "answer": {"C2 selectivity (%)": "21.8"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What C₂ selectivity (%) is achieved at {}℃ with a total flow rate of {} mL/min and CH4/O2 ratio of {}?"}
{"question": "How long was the illumination time (min) for a degradation efficiency of 100%?", "refer_dataset": "table6", "column names": ["Illumination time (min)", "Degradation efficiency (%)"], "condition_column": ["Illumination time (min)"], "answer_column": ["Degradation efficiency (%)"], "condition": {"Illumination time (min)": "100"}, "tool": "search_value", "answer": {"Degradation efficiency (%)": "88.3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How long was the illumination time (min) for a degradation efficiency of {}%?"}
{"question": "What is the OptB88vdW bandgap for the material with formula DyB6?", "refer_dataset": "table47", "column names": ["formula", "optb88vdw_bandgap"], "condition_column": ["formula"], "answer_column": ["optb88vdw_bandgap"], "condition": {"formula": "DyB6"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the OptB88vdW bandgap for the material with formula {}?"}
{"question": "In which journal was the paper submitted by Hongjun Pan with the title The evolution of the Earth-Moon system based on the dark matter field\n  fluid model published?", "refer_dataset": "table45", "column names": ["submitter", "title", "journal-ref"], "condition_column": ["submitter", "title"], "answer_column": ["journal-ref"], "condition": {"submitter": "Hongjun Pan", "title": "The evolution of the Earth-Moon system based on the dark matter field\n  fluid model"}, "tool": "search_value", "answer": {"journal-ref": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "In which journal was the paper submitted by {} with the title {} published?"}
{"question": "Determine the boiling temperature of component A (A_Tb) if the melting temperatures of A (A_Tm) and B (B_Tm) are 675.65 and 1670.0, respectively, with a radius ratio (Ra/Rb) of 1.863.", "refer_dataset": "table2", "column names": ["A_Tm", "B_Tm", "Ra/Rb", "A_Tb"], "condition_column": ["A_Tm", "B_Tm", "Ra/Rb"], "answer_column": ["A_Tb"], "condition": {"A_Tm": "675.65", "B_Tm": "1670.0", "Ra/Rb": "1.863"}, "tool": "search_value", "answer": {"A_Tb": "1716.68"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the boiling temperature of component A (A_Tb) if the melting temperatures of A (A_Tm) and B (B_Tm) are {} and {}, respectively, with a radius ratio (Ra/Rb) of {}."}
{"question": "What is the stress tensor for the compound in the monoclinic crystal system, with a space group symbol of C2/m and formula AsF2?", "refer_dataset": "table59", "column names": ["crystal_system", "spacegroup_symbol", "formula", "stress"], "condition_column": ["crystal_system", "spacegroup_symbol", "formula"], "answer_column": ["stress"], "condition": {"crystal_system": "monoclinic", "spacegroup_symbol": "C2/m", "formula": "AsF2"}, "tool": "search_value", "answer": {"stress": "[[0.005225238008511289, 1.0484053680953348e-07, 0.005685219436288436], [1.0484053680925536e-07, 0.010133258306942753, -1.0140151408547982e-07], [0.005685219436283897, -1.014015140858717e-07, 0.01019880433968894]]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the stress tensor for the compound in the {} crystal system, with a space group symbol of {} and formula {}?"}
{"question": "What are the parsed author components for The Spitzer c2d Survey of Large, Nearby, Insterstellar Clouds. IX. The\n  Serpens YSO Population As Observed With IRAC and MIPS?", "refer_dataset": "table45", "column names": ["title", "authors_parsed"], "condition_column": ["title"], "answer_column": ["authors_parsed"], "condition": {"title": "The Spitzer c2d Survey of Large, Nearby, Insterstellar Clouds. IX. The\n  Serpens YSO Population As Observed With IRAC and MIPS"}, "tool": "search_value", "answer": {"authors_parsed": "[['Harvey', 'Paul', ''], ['Merin', 'Bruno', ''], ['Huard', 'Tracy L.', ''], ['Rebull', 'Luisa M.', ''], ['Chapman', 'Nicholas', ''], ['Evans', 'Neal J.', 'II'], ['Myers', 'Philip C.', '']]"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What are the parsed author components for {}?"}
{"question": "What is the elastic anisotropy value for the material identified as RbYbS2 by formula?", "refer_dataset": "table56", "column names": ["formula", "elastic anisotropy"], "condition_column": ["formula"], "answer_column": ["elastic anisotropy"], "condition": {"formula": "RbYbS2"}, "tool": "search_value", "answer": {"elastic anisotropy": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the elastic anisotropy value for the material identified as {} by formula?"}
{"question": "What is the volume (cubic angstroms) of the compound with the formula Ag1Cu4Sm1?", "refer_dataset": "table31", "column names": ["0", "5"], "condition_column": ["0"], "answer_column": ["5"], "condition": {"0": "Ag1Cu4Sm1"}, "tool": "search_value", "answer": {"5": "92.71960Å3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the volume (cubic angstroms) of the compound with the formula {}?"}
{"question": "Which reference (Ref) documents a hydrogen production rate of [26] µmol h-1 g-1?", "refer_dataset": "table1", "column names": ["Ref", "RH2(µmol h-1 g-1)"], "condition_column": ["Ref"], "answer_column": ["RH2(µmol h-1 g-1)"], "condition": {"Ref": "[26]"}, "tool": "search_value", "answer": {"RH2(µmol h-1 g-1)": "12.4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which reference (Ref) documents a hydrogen production rate of {} µmol h-1 g-1?"}
{"question": "Identify the net magnetic moment for the material with chemical formula Ag2C32H28N10O10.", "refer_dataset": "table62", "column names": ["formula", "net_magmom"], "condition_column": ["formula"], "answer_column": ["net_magmom"], "condition": {"formula": "Ag2C32H28N10O10"}, "tool": "search_value", "answer": {"net_magmom": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the net magnetic moment for the material with chemical formula {}."}
{"question": "What is the crystal structure lattice matrix data (atoms) of the compound with numerical identifier 5 and species HCOOHH2O?", "refer_dataset": "table46", "column names": ["name", "species", "atoms"], "condition_column": ["name", "species"], "answer_column": ["atoms"], "condition": {"name": "5", "species": "HCOOHH2O"}, "tool": "search_value", "answer": {"atoms": "{'lattice_mat': [[15, 0, 0], [0, 15, 0], [0, 0, 15]], 'coords': [[0.434614, 0.949278, -0.040184], [-0.550467, 1.13633, -0.002486], [1.878645, -0.011376, -0.092928], [-1.182204, -0.028818, 0.0169], [-0.659354, -1.130518, -0.001116], [-2.271412, 0.115145, 0.054115], [2.311809, -0.067025, 0.773196], [1.267625, -0.779978, -0.116296]], 'elements': ['H', 'O', 'O', 'C', 'O', 'H', 'H', 'H'], 'abc': [15.0, 15.0, 15.0], 'angles': [90.0, 90.0, 90.0], 'cartesian': True, 'props': ['', '', '', '', '', '', '', '']}"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the crystal structure lattice matrix data (atoms) of the compound with numerical identifier {} and species {}?"}
{"question": "What is the boiling temperature of element A (A_Tb) in the material La0.8875Sr0.1125Fe0.9625Ti0.0375O3?", "refer_dataset": "table3", "column names": ["Materials", "A_Tb"], "condition_column": ["Materials"], "answer_column": ["A_Tb"], "condition": {"Materials": "La0.8875Sr0.1125Fe0.9625Ti0.0375O3"}, "tool": "search_value", "answer": {"A_Tb": "3229.78"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the boiling temperature of element A (A_Tb) in the material {}?"}
{"question": "What is the final energy (final_energy) for surface structure Surface-JVASP-1372_miller_1_1_0_thickness_16_VASP_PBE_noDP when composed of material AlAs and having a Fermi energy level of -0.9288966?", "refer_dataset": "table66", "column names": ["name", "formula", "efermi", "final_energy"], "condition_column": ["name", "formula", "efermi"], "answer_column": ["final_energy"], "condition": {"name": "Surface-JVASP-1372_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "AlAs", "efermi": "-0.9288966"}, "tool": "search_value", "answer": {"final_energy": "-72.77434621"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the final energy (final_energy) for surface structure {} when composed of material {} and having a Fermi energy level of {}?"}
{"question": "Which journal published the article with DOI 10.1039/c7nr00460e?", "refer_dataset": "table13", "column names": ["DOI", "Journal_Name"], "condition_column": ["DOI"], "answer_column": ["Journal_Name"], "condition": {"DOI": "10.1039/c7nr00460e"}, "tool": "search_value", "answer": {"Journal_Name": "NANOSCALE"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which journal published the article with DOI {}?"}
{"question": "What is the HSE-calculated bandgap for the material with a PBE lattice constant of 6.42 Å and a tolerance factor of 0.912?", "refer_dataset": "table49", "column names": ["PBE_latt_const", "Tol", "HSE_gap"], "condition_column": ["PBE_latt_const", "Tol"], "answer_column": ["HSE_gap"], "condition": {"PBE_latt_const": "6.42", "Tol": "0.912"}, "tool": "search_value", "answer": {"HSE_gap": "2.64"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HSE-calculated bandgap for the material with a PBE lattice constant of {} Å and a tolerance factor of {}?"}
{"question": "What is the maximum CO₂ adsorption capacity for the MOF with ID hMOF-31783?", "refer_dataset": "table50", "column names": ["id", "max_co2_adsp"], "condition_column": ["id"], "answer_column": ["max_co2_adsp"], "condition": {"id": "hMOF-31783"}, "tool": "search_value", "answer": {"max_co2_adsp": "3.87465"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the maximum CO₂ adsorption capacity for the MOF with ID {}?"}
{"question": "Identify the organic compound degraded at pH 7.0, temperature 20°C, and dose 0.5 g/L.", "refer_dataset": "table9", "column names": ["pH", "T, oC", "D, g/L", "OC"], "condition_column": ["pH", "T, oC", "D, g/L"], "answer_column": ["OC"], "condition": {"pH": "7.0", "T, oC": "20", "D, g/L": "0.5"}, "tool": "search_value", "answer": {"OC": "Benzylparaben"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the organic compound degraded at pH {}, temperature {}°C, and dose {} g/L."}
{"question": "What is the bulk modulus value for the material Nb4CoSi, identified by its formula?", "refer_dataset": "table54", "column names": ["formula", "bulk modulus"], "condition_column": ["formula"], "answer_column": ["bulk modulus"], "condition": {"formula": "Nb4CoSi"}, "tool": "search_value", "answer": {"bulk modulus": "191.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk modulus value for the material {}, identified by its formula?"}
{"question": "What degradation efficiency (%) was achieved for material MIL-101 at pH 6.3 with an illumination time of 20 minutes?", "refer_dataset": "table6", "column names": ["Material", "pH", "Illumination time (min)", "Degradation efficiency (%)"], "condition_column": ["Material", "pH", "Illumination time (min)"], "answer_column": ["Degradation efficiency (%)"], "condition": {"Material": "MIL-101", "pH": "6.3", "Illumination time (min)": "20"}, "tool": "search_value", "answer": {"Degradation efficiency (%)": "84.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What degradation efficiency (%) was achieved for material {} at pH {} with an illumination time of {} minutes?"}
{"question": "Determine the superconducting transition temperature of the material with ID 7 and formula Re0.1W0.9.", "refer_dataset": "table65", "column names": ["id", "formula", "Tc"], "condition_column": ["id", "formula"], "answer_column": ["Tc"], "condition": {"id": "7", "formula": "Re0.1W0.9"}, "tool": "search_value", "answer": {"Tc": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the superconducting transition temperature of the material with ID {} and formula {}."}
{"question": "What is the direct bandgap energy (eV) for a composition with A_AtomN 83, B element He, and Cn value 1?", "refer_dataset": "table22", "column names": ["A_AtomN", "B", "Cn", "Direct_Band"], "condition_column": ["A_AtomN", "B", "Cn"], "answer_column": ["Direct_Band"], "condition": {"A_AtomN": "83", "B": "He", "Cn": "1"}, "tool": "search_value", "answer": {"Direct_Band": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the direct bandgap energy (eV) for a composition with A_AtomN {}, B element {}, and Cn value {}?"}
{"question": "Find the aging temperature (°C) needed for a gamma prime size of 800.0 nm, solution time of 10.0h, and 12.0% Cobalt.", "refer_dataset": "table39", "column names": ["时效温度T (℃)", "γ＇相尺寸 (nm)", "固溶时间t (h)", "Co"], "condition_column": ["时效温度T (℃)", "γ＇相尺寸 (nm)", "固溶时间t (h)"], "answer_column": ["Co"], "condition": {"时效温度T (℃)": "800.0", "γ＇相尺寸 (nm)": "10.0", "固溶时间t (h)": "12.0"}, "tool": "search_value", "answer": {"Co": "80.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the aging temperature (°C) needed for a gamma prime size of {} nm, solution time of {}h, and {}% Cobalt."}
{"question": "For a catalyst with M3 element W, M4 (wt%) 0.0%, and CH4 conversion 11.6%, determine the ethylene yield.", "refer_dataset": "table26", "column names": ["M3", "M4 (wt%)", "CH4 Conv. (%)", "C2H4 yield (%)"], "condition_column": ["M3", "M4 (wt%)", "CH4 Conv. (%)"], "answer_column": ["C2H4 yield (%)"], "condition": {"M3": "W", "M4 (wt%)": "0.0", "CH4 Conv. (%)": "11.6"}, "tool": "search_value", "answer": {"C2H4 yield (%)": "3.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a catalyst with M3 element {}, M4 (wt%) {}%, and CH4 conversion {}%, determine the ethylene yield."}
{"question": "How many ligands are bonded to the lanthanide in the compound [Pc2Dy]TBA:[Pc2Y]TBA = 1/4?", "refer_dataset": "table34", "column names": ["compound", "coordination_number"], "condition_column": ["compound"], "answer_column": ["coordination_number"], "condition": {"compound": "[Pc2Dy]TBA:[Pc2Y]TBA = 1/4"}, "tool": "search_value", "answer": {"coordination_number": "8.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many ligands are bonded to the lanthanide in the compound {}?"}
{"question": "What conversion yield (C2y) is achieved when the primary metal (M1) is Li, secondary metal (M2) is Mg, and process temperature is 824°C?", "refer_dataset": "table28", "column names": ["M1", "M2", "Temperature", "C2y"], "condition_column": ["M1", "M2", "Temperature"], "answer_column": ["C2y"], "condition": {"M1": "Li", "M2": "Mg", "Temperature": "824"}, "tool": "search_value", "answer": {"C2y": "10.8"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What conversion yield (C2y) is achieved when the primary metal (M1) is {}, secondary metal (M2) is {}, and process temperature is {}°C?"}
{"question": "What comments are associated with the paper authored by Alejandro Corichi, Tatjana Vukasinac and Jose A. Zapata and report number IGPG-07/03-2?", "refer_dataset": "table45", "column names": ["authors", "report-no", "comments"], "condition_column": ["authors", "report-no"], "answer_column": ["comments"], "condition": {"authors": "Alejandro Corichi, Tatjana Vukasinac and Jose A. Zapata", "report-no": "IGPG-07/03-2"}, "tool": "search_value", "answer": {"comments": "16 pages, no figures. Typos corrected to match published version"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What comments are associated with the paper authored by {} and report number {}?"}
{"question": "What is the ID of the material containing formula MoS2 and having formula_energy -0.95401032496?", "refer_dataset": "table64", "column names": ["formula", "formula_energy", "id"], "condition_column": ["formula", "formula_energy"], "answer_column": ["id"], "condition": {"formula": "MoS2", "formula_energy": "-0.95401032496"}, "tool": "search_value", "answer": {"id": "1454"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ID of the material containing formula {} and having formula_energy {}?"}
{"question": "Find the energy above hull (meV/atom) for the compound with material composition Ba2Cd2Pr4Ni8O24.", "refer_dataset": "table35", "column names": ["Material Composition", "energy_above_hull (meV/atom)"], "condition_column": ["Material Composition"], "answer_column": ["energy_above_hull (meV/atom)"], "condition": {"Material Composition": "Ba2Cd2Pr4Ni8O24"}, "tool": "search_value", "answer": {"energy_above_hull (meV/atom)": "284.898189574"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the energy above hull (meV/atom) for the compound with material composition {}."}
{"question": "What surface area (m²/g) corresponds to primary element A Co and substitution element A1 Sr?", "refer_dataset": "table4", "column names": ["A", "A1", "Surface Area(m2/g)"], "condition_column": ["A", "A1"], "answer_column": ["Surface Area(m2/g)"], "condition": {"A": "Co", "A1": "Sr"}, "tool": "search_value", "answer": {"Surface Area(m2/g)": "2.2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What surface area (m²/g) corresponds to primary element A {} and substitution element A1 {}?"}
{"question": "What is the tolerance factor (t) of a material with a radius ratio (Ra/Rb) of 1.863?", "refer_dataset": "table2", "column names": ["Ra/Rb", "t"], "condition_column": ["Ra/Rb"], "answer_column": ["t"], "condition": {"Ra/Rb": "1.863"}, "tool": "search_value", "answer": {"t": "0.905"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tolerance factor (t) of a material with a radius ratio (Ra/Rb) of {}?"}
{"question": "What is the Gibbs free energy (G) of a material with dipole moment 1.625599980354309 and polarizability 9.460000038146973?", "refer_dataset": "table60", "column names": ["mu", "alpha", "G"], "condition_column": ["mu", "alpha"], "answer_column": ["G"], "condition": {"mu": "1.625599980354309", "alpha": "9.460000038146973"}, "tool": "search_value", "answer": {"G": "-11.24600315093994"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Gibbs free energy (G) of a material with dipole moment {} and polarizability {}?"}
{"question": "What is the Methyl adsorption energy (CH3Ead) of a system combining Base Be and Dope Be?", "refer_dataset": "table24", "column names": ["Base", "Dope", "CH3Ead"], "condition_column": ["Base", "Dope"], "answer_column": ["CH3Ead"], "condition": {"Base": "Be", "Dope": "Be"}, "tool": "search_value", "answer": {"CH3Ead": "-1.1368903705"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Methyl adsorption energy (CH3Ead) of a system combining Base {} and Dope {}?"}
{"question": "What is the boiling temperature of component B (B_Tb) for the material Sr2/3Zn1/3TiO3?", "refer_dataset": "table2", "column names": ["Materials", "B_Tb"], "condition_column": ["Materials"], "answer_column": ["B_Tb"], "condition": {"Materials": "Sr2/3Zn1/3TiO3"}, "tool": "search_value", "answer": {"B_Tb": "3287.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the boiling temperature of component B (B_Tb) for the material {}?"}
{"question": "Determine the Framework Density 1 parameter (FD1) for a study where the Molar Ratio 1 (MR1) is 13.7.", "refer_dataset": "table40", "column names": ["FD1", "MR1"], "condition_column": ["FD1"], "answer_column": ["MR1"], "condition": {"FD1": "13.7"}, "tool": "search_value", "answer": {"MR1": "10.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the Framework Density 1 parameter (FD1) for a study where the Molar Ratio 1 (MR1) is {}."}
{"question": "What is the chemical formula of the material with ID 4010 and a superconducting transition temperature of 24.6?", "refer_dataset": "table65", "column names": ["id", "Tc", "formula"], "condition_column": ["id", "Tc"], "answer_column": ["formula"], "condition": {"id": "4010", "Tc": "24.6"}, "tool": "search_value", "answer": {"formula": "Pr0.91La1Ce0.09Cu1O4"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula of the material with ID {} and a superconducting transition temperature of {}?"}
{"question": "What is the band alignment offset if the OptB88-vdW bandgap is -1.4471999999999996 and the conduction band minimum (CBM) is 8.6359?", "refer_dataset": "table52", "column names": ["optb88vdw_bandgap", "optb88vdw_cbm", "offset"], "condition_column": ["optb88vdw_bandgap", "optb88vdw_cbm"], "answer_column": ["offset"], "condition": {"optb88vdw_bandgap": "-1.4471999999999996", "optb88vdw_cbm": "8.6359"}, "tool": "search_value", "answer": {"offset": "-0.5775227899807884"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band alignment offset if the OptB88-vdW bandgap is {} and the conduction band minimum (CBM) is {}?"}
{"question": "At what process temperature (°C) does a catalyst with M1 as Na, support material Mn, and methane partial pressure (Pch4) of 0.51 yield the highest conversion?", "refer_dataset": "table28", "column names": ["M1", "Support", "Pch4", "Temperature"], "condition_column": ["M1", "Support", "Pch4"], "answer_column": ["Temperature"], "condition": {"M1": "Na", "Support": "Mn", "Pch4": "0.51"}, "tool": "search_value", "answer": {"Temperature": "820"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what process temperature (°C) does a catalyst with M1 as {}, support material {}, and methane partial pressure (Pch4) of {} yield the highest conversion?"}
{"question": "Determine the HOMO energy level (eV) for the compound named 10 with InChI identifier InChI=1S/CH4Se/c1-2/h2H,1H3.", "refer_dataset": "table46", "column names": ["name", "inchi", "homo"], "condition_column": ["name", "inchi"], "answer_column": ["homo"], "condition": {"name": "10", "inchi": "InChI=1S/CH4Se/c1-2/h2H,1H3"}, "tool": "search_value", "answer": {"homo": "-0.22071"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the HOMO energy level (eV) for the compound named {} with InChI identifier {}."}
{"question": "What reactor volume (mL) corresponds to experiments with a total product yield of 0.1637777777777777 mmol/g?", "refer_dataset": "table7", "column names": ["total", "Reactor_Volume"], "condition_column": ["total"], "answer_column": ["Reactor_Volume"], "condition": {"total": "0.1637777777777777"}, "tool": "search_value", "answer": {"Reactor_Volume": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reactor volume (mL) corresponds to experiments with a total product yield of {} mmol/g?"}
{"question": "In which journal was the paper submitted by Pavel Nadolsky with the title Calculation of prompt diphoton production cross sections at Tevatron and\n  LHC energies published?", "refer_dataset": "table45", "column names": ["submitter", "title", "journal-ref"], "condition_column": ["submitter", "title"], "answer_column": ["journal-ref"], "condition": {"submitter": "Pavel Nadolsky", "title": "Calculation of prompt diphoton production cross sections at Tevatron and\n  LHC energies"}, "tool": "search_value", "answer": {"journal-ref": "Phys.Rev.D76:013009,2007"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "In which journal was the paper submitted by {} with the title {} published?"}
{"question": "What reactor volume (mL) corresponds to experiments with a total product yield of 0.182625 mmol/g?", "refer_dataset": "table7", "column names": ["total", "Reactor_Volume"], "condition_column": ["total"], "answer_column": ["Reactor_Volume"], "condition": {"total": "0.182625"}, "tool": "search_value", "answer": {"Reactor_Volume": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reactor volume (mL) corresponds to experiments with a total product yield of {} mmol/g?"}
{"question": "What is the electronic spatial extent (r2) for a material with dipole moment of 2.1089000701904297?", "refer_dataset": "table60", "column names": ["mu", "r2"], "condition_column": ["mu"], "answer_column": ["r2"], "condition": {"mu": "2.1089000701904297"}, "tool": "search_value", "answer": {"r2": "59.98910140991211"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic spatial extent (r2) for a material with dipole moment of {}?"}
{"question": "What optical band gap value does HSE calculation show for SNUMAT_id SM-3507?", "refer_dataset": "table63", "column names": ["SNUMAT_id", "Band_gap_HSE_optical"], "condition_column": ["SNUMAT_id"], "answer_column": ["Band_gap_HSE_optical"], "condition": {"SNUMAT_id": "SM-3507"}, "tool": "search_value", "answer": {"Band_gap_HSE_optical": "5.558663"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What optical band gap value does HSE calculation show for SNUMAT_id {}?"}
{"question": "What is the maximum CO₂ adsorption capacity for the MOF with ID hMOF-5073430?", "refer_dataset": "table50", "column names": ["id", "max_co2_adsp"], "condition_column": ["id"], "answer_column": ["max_co2_adsp"], "condition": {"id": "hMOF-5073430"}, "tool": "search_value", "answer": {"max_co2_adsp": "2.09167"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the maximum CO₂ adsorption capacity for the MOF with ID {}?"}
{"question": "Find the total dielectric constant (diel_tot) of the entry with the unique identifier 4.33252 and processed using the 352 method.", "refer_dataset": "table58", "column names": ["diel_tot", "id", "method"], "condition_column": ["diel_tot", "id"], "answer_column": ["method"], "condition": {"diel_tot": "4.33252", "id": "352"}, "tool": "search_value", "answer": {"method": "minima-hopping"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the total dielectric constant (diel_tot) of the entry with the unique identifier {} and processed using the {} method."}
{"question": "What is the source (src) of the entry where the electronic dielectric contribution (diel_elec) is Mannodi-Kanakkithodi_etal:SciRep.inpress(2016) and the atomic energy is 3.51116?", "refer_dataset": "table58", "column names": ["src", "diel_elec", "atom_en"], "condition_column": ["src", "diel_elec"], "answer_column": ["atom_en"], "condition": {"src": "Mannodi-Kanakkithodi_etal:SciRep.inpress(2016)", "diel_elec": "3.51116"}, "tool": "search_value", "answer": {"atom_en": "-6.46409"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the source (src) of the entry where the electronic dielectric contribution (diel_elec) is {} and the atomic energy is {}?"}
{"question": "Calculate the delta_e for a material with band gap 0.0 and stability 0.35674995435345.", "refer_dataset": "table57", "column names": ["_oqmd_band_gap", "_oqmd_stability", "_oqmd_delta_e"], "condition_column": ["_oqmd_band_gap", "_oqmd_stability"], "answer_column": ["_oqmd_delta_e"], "condition": {"_oqmd_band_gap": "0.0", "_oqmd_stability": "0.35674995435345"}, "tool": "search_value", "answer": {"_oqmd_delta_e": "0.35674995435345"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the delta_e for a material with band gap {} and stability {}."}
{"question": "What is the CO₂ adsorption pressure (bar) for an MOF with absolute adsorption of [0.00979751, 0.047517899999999995, 0.0901371, 0.449706, 2.09167]?", "refer_dataset": "table50", "column names": ["co2_absp", "co2_pressures"], "condition_column": ["co2_absp"], "answer_column": ["co2_pressures"], "condition": {"co2_absp": "[0.00979751, 0.047517899999999995, 0.0901371, 0.449706, 2.09167]"}, "tool": "search_value", "answer": {"co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CO₂ adsorption pressure (bar) for an MOF with absolute adsorption of {}?"}
{"question": "Which primary element B is present in compounds with a molar ratio of A as 0.267?", "refer_dataset": "table4", "column names": ["A mole", "B"], "condition_column": ["A mole"], "answer_column": ["B"], "condition": {"A mole": "0.267"}, "tool": "search_value", "answer": {"B": "In"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which primary element B is present in compounds with a molar ratio of A as {}?"}
{"question": "Find the current density at 0.63 V (secondCA) for a material with In set to 0.5 and Fe set to 0.5.", "refer_dataset": "table16", "column names": ["In", "Fe", "J.uAcm2_0.63_secondCA"], "condition_column": ["In", "Fe"], "answer_column": ["J.uAcm2_0.63_secondCA"], "condition": {"In": "0.5", "Fe": "0.5"}, "tool": "search_value", "answer": {"J.uAcm2_0.63_secondCA": "149.4495"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the current density at 0.63 V (secondCA) for a material with In set to {} and Fe set to {}."}
{"question": "What is the entry ID of a material with delta_e 0.143944374353451 and band gap 0.0?", "refer_dataset": "table57", "column names": ["_oqmd_delta_e", "_oqmd_band_gap", "_oqmd_entry_id"], "condition_column": ["_oqmd_delta_e", "_oqmd_band_gap"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_delta_e": "0.143944374353451", "_oqmd_band_gap": "0.0"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "472977.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the entry ID of a material with delta_e {} and band gap {}?"}
{"question": "Find the ionic radius (Å) for the element with atomic number 0.32.", "refer_dataset": "table36", "column names": ["Atomic Radius (Å)", "Ionic Radius (angstroms)"], "condition_column": ["Atomic Radius (Å)"], "answer_column": ["Ionic Radius (angstroms)"], "condition": {"Atomic Radius (Å)": "0.32"}, "tool": "search_value", "answer": {"Ionic Radius (angstroms)": "1.54"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the ionic radius (Å) for the element with atomic number {}."}
{"question": "What is the melting temperature of element B (B_Tm) in the material La0.8875Sr0.1125Fe0.9625Ti0.0375O3?", "refer_dataset": "table3", "column names": ["Materials", "B_Tm"], "condition_column": ["Materials"], "answer_column": ["B_Tm"], "condition": {"Materials": "La0.8875Sr0.1125Fe0.9625Ti0.0375O3"}, "tool": "search_value", "answer": {"B_Tm": "1542.95"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the melting temperature of element B (B_Tm) in the material {}?"}
{"question": "Provide the modulus of elasticity (10³ Mpa) for the element with atomic radius 0.73 Å.", "refer_dataset": "table36", "column names": ["Atomic Radius (Å)", "Modulus of Elasticity 10³ Mpa"], "condition_column": ["Atomic Radius (Å)"], "answer_column": ["Modulus of Elasticity 10³ Mpa"], "condition": {"Atomic Radius (Å)": "0.73"}, "tool": "search_value", "answer": {"Modulus of Elasticity 10³ Mpa": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the modulus of elasticity (10³ Mpa) for the element with atomic radius {} Å."}
{"question": "What is the exfoliation energy per atom for the material with source identifier mp-22856?", "refer_dataset": "table67", "column names": ["source_id", "exfoliation_energy_per_atom"], "condition_column": ["source_id"], "answer_column": ["exfoliation_energy_per_atom"], "condition": {"source_id": "mp-22856"}, "tool": "search_value", "answer": {"exfoliation_energy_per_atom": "0.09919344650000017"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the exfoliation energy per atom for the material with source identifier {}?"}
{"question": "How many elements does a material with energy above hull of 0.1994506199189789 contain?", "refer_dataset": "table55", "column names": ["e_above_hull", "nelements"], "condition_column": ["e_above_hull"], "answer_column": ["nelements"], "condition": {"e_above_hull": "0.1994506199189789"}, "tool": "search_value", "answer": {"nelements": "5"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many elements does a material with energy above hull of {} contain?"}
{"question": "Determine the ID for the material whose formula is Ca0.31Sr0.7Ti1O3.", "refer_dataset": "table65", "column names": ["formula", "id"], "condition_column": ["formula"], "answer_column": ["id"], "condition": {"formula": "Ca0.31Sr0.7Ti1O3"}, "tool": "search_value", "answer": {"id": "3687"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the ID for the material whose formula is {}."}
{"question": "What is the standard deviation of inertial shape factor (inertial_shape_factor_std_0) for SMILES C(CCN1CCOCCOCCOCCOCCOCC1)CN1CCOCCOCCOCCOCCOCC1?", "refer_dataset": "table41", "column names": ["osda smiles", "inertial_shape_factor_std_0"], "condition_column": ["osda smiles"], "answer_column": ["inertial_shape_factor_std_0"], "condition": {"osda smiles": "C(CCN1CCOCCOCCOCCOCCOCC1)CN1CCOCCOCCOCCOCCOCC1"}, "tool": "search_value", "answer": {"inertial_shape_factor_std_0": "3.12746895800738e-05"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the standard deviation of inertial shape factor (inertial_shape_factor_std_0) for SMILES {}?"}
{"question": "What is the radius ratio (Ra/Rb) for the material composition Sr0.9La0.1Ti0.9Cr0.1O3?", "refer_dataset": "table2", "column names": ["Materials", "Ra/Rb"], "condition_column": ["Materials"], "answer_column": ["Ra/Rb"], "condition": {"Materials": "Sr0.9La0.1Ti0.9Cr0.1O3"}, "tool": "search_value", "answer": {"Ra/Rb": "1.753"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the radius ratio (Ra/Rb) for the material composition {}?"}
{"question": "Which reference (Ref.) corresponds to the perovskite oxide LaCrO3 aged for 5 hours with desorption at 100℃?", "refer_dataset": "table11", "column names": ["Molecular formulas", "AH (h)", "DT (℃)", "Ref."], "condition_column": ["Molecular formulas", "AH (h)", "DT (℃)"], "answer_column": ["Ref."], "condition": {"Molecular formulas": "LaCrO3", "AH (h)": "5", "DT (℃)": "100"}, "tool": "search_value", "answer": {"Ref.": "[29]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which reference (Ref.) corresponds to the perovskite oxide {} aged for {} hours with desorption at {}℃?"}
{"question": "For the compound with space group number 10 and energy per atom of -1182.1867, what is its chemical formula?", "refer_dataset": "table59", "column names": ["spacegroup_number", "energy_per_atom", "formula"], "condition_column": ["spacegroup_number", "energy_per_atom"], "answer_column": ["formula"], "condition": {"spacegroup_number": "10", "energy_per_atom": "-1182.1867"}, "tool": "search_value", "answer": {"formula": "MgF"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the compound with space group number {} and energy per atom of {}, what is its chemical formula?"}
{"question": "Determine the superconducting transition temperature of the material with ID 3687 and formula Ca0.31Sr0.7Ti1O3.", "refer_dataset": "table65", "column names": ["id", "formula", "Tc"], "condition_column": ["id", "formula"], "answer_column": ["Tc"], "condition": {"id": "3687", "formula": "Ca0.31Sr0.7Ti1O3"}, "tool": "search_value", "answer": {"Tc": "0.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the superconducting transition temperature of the material with ID {} and formula {}."}
{"question": "Report the value in feature 33 for LaCrO3 perovskite.", "refer_dataset": "table14", "column names": ["Perovskite", "33"], "condition_column": ["Perovskite"], "answer_column": ["33"], "condition": {"Perovskite": "LaCrO3"}, "tool": "search_value", "answer": {"33": "-0.0399"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the value in feature 33 for {} perovskite."}
{"question": "What is the formula of the material assigned ID 7?", "refer_dataset": "table65", "column names": ["id", "formula"], "condition_column": ["id"], "answer_column": ["formula"], "condition": {"id": "7"}, "tool": "search_value", "answer": {"formula": "Re0.1W0.9"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formula of the material assigned ID {}?"}
{"question": "What is the energy per atom for the material with material ID 2dm-7 and exfoliation energy per atom of 0.07163021333333308?", "refer_dataset": "table67", "column names": ["material_id", "exfoliation_energy_per_atom", "energy_per_atom"], "condition_column": ["material_id", "exfoliation_energy_per_atom"], "answer_column": ["energy_per_atom"], "condition": {"material_id": "2dm-7", "exfoliation_energy_per_atom": "0.07163021333333308"}, "tool": "search_value", "answer": {"energy_per_atom": "-5.516883573333334"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy per atom for the material with material ID {} and exfoliation energy per atom of {}?"}
{"question": "Identify the carbon deficit percentage for resource type 0,5 at a furnace length of STD mm.", "refer_dataset": "table27", "column names": ["C missing(%)", "Resource", "furnace length(mm)"], "condition_column": ["C missing(%)", "Resource"], "answer_column": ["furnace length(mm)"], "condition": {"C missing(%)": "0,5", "Resource": "STD"}, "tool": "search_value", "answer": {"furnace length(mm)": "270"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the carbon deficit percentage for resource type {} at a furnace length of {} mm."}
{"question": "If BP86 Scharber PCE is 2.58181645782 and M06 Scharber Voc is 1.9035208955, what is the entry’s PBE0 HOMO?", "refer_dataset": "table51", "column names": ["bp86_scharber_pce", "m06_scharber_voc", "pbe0_homo"], "condition_column": ["bp86_scharber_pce", "m06_scharber_voc"], "answer_column": ["pbe0_homo"], "condition": {"bp86_scharber_pce": "2.58181645782", "m06_scharber_voc": "1.9035208955"}, "tool": "search_value", "answer": {"pbe0_homo": "-0.205"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If BP86 Scharber PCE is {} and M06 Scharber Voc is {}, what is the entry’s PBE0 HOMO?"}
{"question": "For a catalyst with M3 element W, M4 (wt%) 0.0%, and CH4 conversion 14.9%, determine the ethylene yield.", "refer_dataset": "table26", "column names": ["M3", "M4 (wt%)", "CH4 Conv. (%)", "C2H4 yield (%)"], "condition_column": ["M3", "M4 (wt%)", "CH4 Conv. (%)"], "answer_column": ["C2H4 yield (%)"], "condition": {"M3": "W", "M4 (wt%)": "0.0", "CH4 Conv. (%)": "14.9"}, "tool": "search_value", "answer": {"C2H4 yield (%)": "5.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a catalyst with M3 element {}, M4 (wt%) {}%, and CH4 conversion {}%, determine the ethylene yield."}
{"question": "Given PBE and HSE bandgaps of 2.55 eV and 3.84 eV, what is the refractive index (Ref_ind) of the material?", "refer_dataset": "table49", "column names": ["PBE_gap", "HSE_gap", "Ref_ind"], "condition_column": ["PBE_gap", "HSE_gap"], "answer_column": ["Ref_ind"], "condition": {"PBE_gap": "2.55", "HSE_gap": "3.84"}, "tool": "search_value", "answer": {"Ref_ind": "1.89"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given PBE and HSE bandgaps of {} eV and {} eV, what is the refractive index (Ref_ind) of the material?"}
{"question": "Determine the similarity score for SrCoO3 perovskite with feature 45 set to 0.000668.", "refer_dataset": "table14", "column names": ["Perovskite", "45", "similarity"], "condition_column": ["Perovskite", "45"], "answer_column": ["similarity"], "condition": {"Perovskite": "SrCoO3", "45": "0.000668"}, "tool": "search_value", "answer": {"similarity": "0.323249"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the similarity score for {} perovskite with feature 45 set to {}."}
{"question": "For a material that has a refractive index of 2.78 and a PBE mixing energy of 0.0 eV, what is the HSE mixing energy?", "refer_dataset": "table49", "column names": ["Ref_ind", "PBE_mix_energy", "HSE_mix_energy"], "condition_column": ["Ref_ind", "PBE_mix_energy"], "answer_column": ["HSE_mix_energy"], "condition": {"Ref_ind": "2.78", "PBE_mix_energy": "0.0"}, "tool": "search_value", "answer": {"HSE_mix_energy": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a material that has a refractive index of {} and a PBE mixing energy of {} eV, what is the HSE mixing energy?"}
{"question": "At a valence band maximum (VBM) of 6.1195, what is the corresponding band alignment offset?", "refer_dataset": "table52", "column names": ["optb88vdw_vbm", "offset"], "condition_column": ["optb88vdw_vbm"], "answer_column": ["offset"], "condition": {"optb88vdw_vbm": "6.1195"}, "tool": "search_value", "answer": {"offset": "0.5978046988467991"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At a valence band maximum (VBM) of {}, what is the corresponding band alignment offset?"}
{"question": "Which database contains the compound abbreviation Rh4Sr2?", "refer_dataset": "table31", "column names": ["1", "7"], "condition_column": ["1"], "answer_column": ["7"], "condition": {"1": "Rh4Sr2"}, "tool": "search_value", "answer": {"7": "OQMD"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which database contains the compound abbreviation {}?"}
{"question": "Determine the electronic polarizability (alpha) for a sample identified by 5 with a HOMO-LUMO gap of 2.70289805057916.", "refer_dataset": "table61", "column names": ["id", "gap", "alpha"], "condition_column": ["id", "gap"], "answer_column": ["alpha"], "condition": {"id": "5", "gap": "2.70289805057916"}, "tool": "search_value", "answer": {"alpha": "-7.62159225156539"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the electronic polarizability (alpha) for a sample identified by {} with a HOMO-LUMO gap of {}."}
{"question": "Find the count of E atoms if element E has an atomic number of 8, the indirect bandgap is 0.0 eV, and the volume is 73.6686200925 ų.", "refer_dataset": "table22", "column names": ["E_AtomN", "Indirect_Band", "Volume", "En"], "condition_column": ["E_AtomN", "Indirect_Band", "Volume"], "answer_column": ["En"], "condition": {"E_AtomN": "8", "Indirect_Band": "0.0", "Volume": "73.6686200925"}, "tool": "search_value", "answer": {"En": "2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the count of E atoms if element E has an atomic number of {}, the indirect bandgap is {} eV, and the volume is {} ų."}
{"question": "What is the GGA optical band gap value for materials in space group 64 with FM magnetic ordering?", "refer_dataset": "table63", "column names": ["Space_group_rlx", "Magnetic_ordering", "Band_gap_GGA_optical"], "condition_column": ["Space_group_rlx", "Magnetic_ordering"], "answer_column": ["Band_gap_GGA_optical"], "condition": {"Space_group_rlx": "64", "Magnetic_ordering": "FM"}, "tool": "search_value", "answer": {"Band_gap_GGA_optical": "0.610799"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the GGA optical band gap value for materials in space group {} with {} magnetic ordering?"}
{"question": "What is the product of the reaction catalyzed by OD-Cu - In material with multiphase 0.0 and electric field 0.0?", "refer_dataset": "table12", "column names": ["Material", "Multiphase", "Electric field", "Product"], "condition_column": ["Material", "Multiphase", "Electric field"], "answer_column": ["Product"], "condition": {"Material": "OD-Cu - In", "Multiphase": "0.0", "Electric field": "0.0"}, "tool": "search_value", "answer": {"Product": "CO"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the product of the reaction catalyzed by {} material with multiphase {} and electric field {}?"}
{"question": "What is the last update date for the paper by parsed authors [['Corichi', 'Alejandro', ''], ['Vukasinac', 'Tatjana', ''], ['Zapata', 'Jose A.', '']] in gr-qc category?", "refer_dataset": "table45", "column names": ["authors_parsed", "categories", "update_date"], "condition_column": ["authors_parsed", "categories"], "answer_column": ["update_date"], "condition": {"authors_parsed": "[['Corichi', 'Alejandro', ''], ['Vukasinac', 'Tatjana', ''], ['Zapata', 'Jose A.', '']]", "categories": "gr-qc"}, "tool": "search_value", "answer": {"update_date": "2008-11-26"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the last update date for the paper by parsed authors {} in {} category?"}
{"question": "What pH level was used for Sulfamethoxazole when the light intensity was 2.9 mW/cm² and temperature 21°C?", "refer_dataset": "table9", "column names": ["OC", "I, mW/cm2", "T, oC", "pH"], "condition_column": ["OC", "I, mW/cm2", "T, oC"], "answer_column": ["pH"], "condition": {"OC": "Sulfamethoxazole", "I, mW/cm2": "2.9", "T, oC": "21"}, "tool": "search_value", "answer": {"pH": "4.5"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What pH level was used for {} when the light intensity was {} mW/cm² and temperature {}°C?"}
{"question": "What is the C2 production yield at a methane conversion percentage of 17,6%?", "refer_dataset": "table27", "column names": ["C2 yield(%)", "CH4 Conv(%)"], "condition_column": ["C2 yield(%)"], "answer_column": ["CH4 Conv(%)"], "condition": {"C2 yield(%)": "17,6"}, "tool": "search_value", "answer": {"CH4 Conv(%)": "35,7"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the C2 production yield at a methane conversion percentage of {}%?"}
{"question": "At which methane-to-oxygen molar ratio is the C₂ selectivity 27.7%?", "refer_dataset": "table23", "column names": ["C2 selectivity (%)", "CH4/O2 (mol/mol)"], "condition_column": ["C2 selectivity (%)"], "answer_column": ["CH4/O2 (mol/mol)"], "condition": {"C2 selectivity (%)": "27.7"}, "tool": "search_value", "answer": {"CH4/O2 (mol/mol)": "2.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At which methane-to-oxygen molar ratio is the C₂ selectivity {}%?"}
{"question": "What is the BP86 Scharber PCE if the BP86 HOMO is -0.162, LUMO is -0.126, and gap is 0.036?", "refer_dataset": "table51", "column names": ["bp86_homo", "bp86_lumo", "bp86_gap", "bp86_scharber_pce"], "condition_column": ["bp86_homo", "bp86_lumo", "bp86_gap"], "answer_column": ["bp86_scharber_pce"], "condition": {"bp86_homo": "-0.162", "bp86_lumo": "-0.126", "bp86_gap": "0.036"}, "tool": "search_value", "answer": {"bp86_scharber_pce": "-3.99912672016"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the BP86 Scharber PCE if the BP86 HOMO is {}, LUMO is {}, and gap is {}?"}
{"question": "What is the activation energy (eV) for element Pt on the -111 surface with adsorbed species CH*?", "refer_dataset": "table18", "column names": ["AA", "surfaces", "ab", "activation_energy"], "condition_column": ["AA", "surfaces", "ab"], "answer_column": ["activation_energy"], "condition": {"AA": "Pt", "surfaces": "-111", "ab": "CH*"}, "tool": "search_value", "answer": {"activation_energy": "1.87"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the activation energy (eV) for element {} on the {} surface with adsorbed species {}?"}
{"question": "Provide the slope in CSM analysis for the compound [(LOEt)Ho((R,R)-5-Cl-Salcy)]· CH3OH·1/8H2O within the 1100.0 sub-family.", "refer_dataset": "table34", "column names": ["compound", "sub_family", "slope_CSM"], "condition_column": ["compound", "sub_family"], "answer_column": ["slope_CSM"], "condition": {"compound": "[(LOEt)Ho((R,R)-5-Cl-Salcy)]· CH3OH·1/8H2O", "sub_family": "1100.0"}, "tool": "search_value", "answer": {"slope_CSM": "-1.7"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the slope in CSM analysis for the compound {} within the {} sub-family."}
{"question": "What is the mean number of bonds (num_bonds_mean_0) associated with SMILES C(CC[N+]12CCC(CC1)CC2)CC[N+]12CCC(CC1)CC2?", "refer_dataset": "table41", "column names": ["osda smiles", "num_bonds_mean_0"], "condition_column": ["osda smiles"], "answer_column": ["num_bonds_mean_0"], "condition": {"osda smiles": "C(CC[N+]12CCC(CC1)CC2)CC[N+]12CCC(CC1)CC2"}, "tool": "search_value", "answer": {"num_bonds_mean_0": "24"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the mean number of bonds (num_bonds_mean_0) associated with SMILES {}?"}
{"question": "Find the entry ID(s) of materials with an energy difference from stability of 0.35674995435345.", "refer_dataset": "table57", "column names": ["_oqmd_delta_e", "_oqmd_entry_id"], "condition_column": ["_oqmd_delta_e"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_delta_e": "0.35674995435345"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "472983.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the entry ID(s) of materials with an energy difference from stability of {}."}
{"question": "Provide the entry ID for a material that has a stability metric of 0.226107440851378 and band gap of 0.0.", "refer_dataset": "table57", "column names": ["_oqmd_stability", "_oqmd_band_gap", "_oqmd_entry_id"], "condition_column": ["_oqmd_stability", "_oqmd_band_gap"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_stability": "0.226107440851378", "_oqmd_band_gap": "0.0"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "472978.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the entry ID for a material that has a stability metric of {} and band gap of {}."}
{"question": "Determine the ionic contribution to the dielectric constant (diel_ion) where the source is 3.73473 and the GGA band gap energy is Huan_etal:SciDat(submitted) eV.", "refer_dataset": "table58", "column names": ["diel_ion", "src", "gga_gap"], "condition_column": ["diel_ion", "src"], "answer_column": ["gga_gap"], "condition": {"diel_ion": "3.73473", "src": "Huan_etal:SciDat(submitted)"}, "tool": "search_value", "answer": {"gga_gap": "3.7017"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the ionic contribution to the dielectric constant (diel_ion) where the source is {} and the GGA band gap energy is {} eV."}
{"question": "Which space group symbol corresponds to space group number 90?", "refer_dataset": "table48", "column names": ["spg_number", "spg_symbol"], "condition_column": ["spg_number"], "answer_column": ["spg_symbol"], "condition": {"spg_number": "90"}, "tool": "search_value", "answer": {"spg_symbol": "P42_12"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which space group symbol corresponds to space group number {}?"}
{"question": "What is the unit cell formula of the material with a density of 3.501149800046778?", "refer_dataset": "table55", "column names": ["density", "unit_cell_formula"], "condition_column": ["density"], "answer_column": ["unit_cell_formula"], "condition": {"density": "3.501149800046778"}, "tool": "search_value", "answer": {"unit_cell_formula": "{'Mn': 3.0, 'Co': 1.0, 'Ni': 2.0, 'P': 6.0, 'O': 24.0}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unit cell formula of the material with a density of {}?"}
{"question": "Determine the DFT functional used for the material with job ID JVASP-14014 and formation energy per atom of -0.45468 eV.", "refer_dataset": "table47", "column names": ["jid", "formation_energy_peratom", "func"], "condition_column": ["jid", "formation_energy_peratom"], "answer_column": ["func"], "condition": {"jid": "JVASP-14014", "formation_energy_peratom": "-0.45468"}, "tool": "search_value", "answer": {"func": "OptB88vdW"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the DFT functional used for the material with job ID {} and formation energy per atom of {} eV."}
{"question": "What is the direct band gap energy (eV) for the material identified by agm005671431?", "refer_dataset": "table44", "column names": ["mat_id", "band_gap_dir"], "condition_column": ["mat_id"], "answer_column": ["band_gap_dir"], "condition": {"mat_id": "agm005671431"}, "tool": "search_value", "answer": {"band_gap_dir": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the direct band gap energy (eV) for the material identified by {}?"}
{"question": "Identify the total calculated energy for the compound stored in folder '/rk2/knc6/UniveralTB/julia_data/Mg_F_kspace/POSCAR_distort_vnscf_vol_3', having 4 atoms and an indirect band gap of 0.0?", "refer_dataset": "table59", "column names": ["source_folder", "natoms", "indir_gap", "final_energy"], "condition_column": ["source_folder", "natoms", "indir_gap"], "answer_column": ["final_energy"], "condition": {"source_folder": "'/rk2/knc6/UniveralTB/julia_data/Mg_F_kspace/POSCAR_distort_vnscf_vol_3'", "natoms": "4", "indir_gap": "0.0"}, "tool": "search_value", "answer": {"final_energy": "-173.7782531821513"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the total calculated energy for the compound stored in folder {}, having {} atoms and an indirect band gap of {}?"}
{"question": "What license type governs the distribution of Polymer Quantum Mechanics and its Continuum Limit?", "refer_dataset": "table45", "column names": ["title", "license"], "condition_column": ["title"], "answer_column": ["license"], "condition": {"title": "Polymer Quantum Mechanics and its Continuum Limit"}, "tool": "search_value", "answer": {"license": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What license type governs the distribution of {}?"}
{"question": "How much elastic anisotropy does the material with the formula Hf2S exhibit?", "refer_dataset": "table54", "column names": ["formula", "elastic anisotropy"], "condition_column": ["formula"], "answer_column": ["elastic anisotropy"], "condition": {"formula": "Hf2S"}, "tool": "search_value", "answer": {"elastic anisotropy": "0.353098671453079"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How much elastic anisotropy does the material with the formula {} exhibit?"}
{"question": "What is the C2 production yield at a methane conversion percentage of 18,6%?", "refer_dataset": "table27", "column names": ["C2 yield(%)", "CH4 Conv(%)"], "condition_column": ["C2 yield(%)"], "answer_column": ["CH4 Conv(%)"], "condition": {"C2 yield(%)": "18,6"}, "tool": "search_value", "answer": {"CH4 Conv(%)": "48,8"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the C2 production yield at a methane conversion percentage of {}%?"}
{"question": "What license type governs the distribution of Sparsity-certifying Graph Decompositions?", "refer_dataset": "table45", "column names": ["title", "license"], "condition_column": ["title"], "answer_column": ["license"], "condition": {"title": "Sparsity-certifying Graph Decompositions"}, "tool": "search_value", "answer": {"license": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What license type governs the distribution of {}?"}
{"question": "Which primary metal (M1) is used with the support material Pb?", "refer_dataset": "table28", "column names": ["Support", "M1"], "condition_column": ["Support"], "answer_column": ["M1"], "condition": {"Support": "Pb"}, "tool": "search_value", "answer": {"M1": "none"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which primary metal (M1) is used with the support material {}?"}
{"question": "If the A-site oxygen property is 2.695, B-site s-orbital unfilled range is 0, and Goldschmidt TF is 0.987384857667, what is the A_B ratio?", "refer_dataset": "table37", "column names": ["A_O", "Bsite_NsUnfilled_range", "goldschmidt_TF", "A_B"], "condition_column": ["A_O", "Bsite_NsUnfilled_range", "goldschmidt_TF"], "answer_column": ["A_B"], "condition": {"A_O": "2.695", "Bsite_NsUnfilled_range": "0", "goldschmidt_TF": "0.987384857667"}, "tool": "search_value", "answer": {"A_B": "1.825"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If the A-site oxygen property is {}, B-site s-orbital unfilled range is {}, and Goldschmidt TF is {}, what is the A_B ratio?"}
{"question": "What is the energy difference from thermodynamic stability for the material with entry ID 472983.0?", "refer_dataset": "table57", "column names": ["_oqmd_entry_id", "_oqmd_delta_e"], "condition_column": ["_oqmd_entry_id"], "answer_column": ["_oqmd_delta_e"], "condition": {"_oqmd_entry_id": "472983.0"}, "tool": "search_value", "answer": {"_oqmd_delta_e": "0.35674995435345"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy difference from thermodynamic stability for the material with entry ID {}?"}
{"question": "What is the HM symbol for the compound with the abbreviation Lu3?", "refer_dataset": "table31", "column names": ["1", "9"], "condition_column": ["1"], "answer_column": ["9"], "condition": {"1": "Lu3"}, "tool": "search_value", "answer": {"9": "R-3m"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HM symbol for the compound with the abbreviation {}?"}
{"question": "What is the radiation wavelength used in the structure determination of file 1000006?", "refer_dataset": "table38", "column names": ["file", "wavelength"], "condition_column": ["file"], "answer_column": ["wavelength"], "condition": {"file": "1000006"}, "tool": "search_value", "answer": {"wavelength": "0.6883"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the radiation wavelength used in the structure determination of file {}?"}
{"question": "What is the measured numerical value for the composition ThFe_11C_1.5?", "refer_dataset": "table32", "column names": ["composition", "value"], "condition_column": ["composition"], "answer_column": ["value"], "condition": {"composition": "ThFe_11C_1.5"}, "tool": "search_value", "answer": {"value": "419"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the measured numerical value for the composition {}?"}
{"question": "If a perovskite’s similarity score is 0.28946, what is the value of feature 24 if feature 7 is 0.036582?", "refer_dataset": "table14", "column names": ["similarity", "7", "24"], "condition_column": ["similarity", "7"], "answer_column": ["24"], "condition": {"similarity": "0.28946", "7": "0.036582"}, "tool": "search_value", "answer": {"24": "-0.007"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If a perovskite’s similarity score is {}, what is the value of feature 24 if feature 7 is {}?"}
{"question": "Calculate the conduction band minimum (surf_cbm) for material ThSbRh and surface Surface-JVASP-1699_miller_1_1_0_thickness_16_VASP_PBE_noDP when the average maximum potential is 3.8725956694557992.", "refer_dataset": "table66", "column names": ["formula", "name", "avg_max", "surf_cbm"], "condition_column": ["formula", "name", "avg_max"], "answer_column": ["surf_cbm"], "condition": {"formula": "ThSbRh", "name": "Surface-JVASP-1699_miller_1_1_0_thickness_16_VASP_PBE_noDP", "avg_max": "3.8725956694557992"}, "tool": "search_value", "answer": {"surf_cbm": "2.8125"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the conduction band minimum (surf_cbm) for material {} and surface {} when the average maximum potential is {}."}
{"question": "For the material with net magnetic moment 80.0 and source CSD, provide its DOI.", "refer_dataset": "table62", "column names": ["net_magmom", "source", "doi"], "condition_column": ["net_magmom", "source"], "answer_column": ["doi"], "condition": {"net_magmom": "80.0", "source": "CSD"}, "tool": "search_value", "answer": {"doi": "https://doi.org/10.1039/C3DT52190G"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with net magnetic moment {} and source {}, provide its DOI."}
{"question": "Determine the optimal solvent percentage for Ca ion 295 mM, CO3 ion 260 mM, and stirring speed 0 rpm.", "refer_dataset": "table42", "column names": ["Ca ion, mM", "CO3 ion, mM", "Stirring, rpm", "Solvent, % vol."], "condition_column": ["Ca ion, mM", "CO3 ion, mM", "Stirring, rpm"], "answer_column": ["Solvent, % vol."], "condition": {"Ca ion, mM": "295", "CO3 ion, mM": "260", "Stirring, rpm": "0"}, "tool": "search_value", "answer": {"Solvent, % vol.": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the optimal solvent percentage for Ca ion {} mM, CO3 ion {} mM, and stirring speed {} rpm."}
{"question": "What is the CH4/O2 molar ratio required for 32.1% methane conversion at a temperature of 900.0℃ with Support MgO?", "refer_dataset": "table23", "column names": ["CH4 conversion (%)", "Temp. (℃)", "Support", "CH4/O2 (mol/mol)"], "condition_column": ["CH4 conversion (%)", "Temp. (℃)", "Support"], "answer_column": ["CH4/O2 (mol/mol)"], "condition": {"CH4 conversion (%)": "32.1", "Temp. (℃)": "900.0", "Support": "MgO"}, "tool": "search_value", "answer": {"CH4/O2 (mol/mol)": "6.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CH4/O2 molar ratio required for {}% methane conversion at a temperature of {}℃ with Support {}?"}
{"question": "Identify the unit cell volume (ų) for a material with element D as H, lattice parameter 4.1920602095 Å, and En value 2.", "refer_dataset": "table22", "column names": ["D", "Lattice", "En", "Volume"], "condition_column": ["D", "Lattice", "En"], "answer_column": ["Volume"], "condition": {"D": "H", "Lattice": "4.1920602095", "En": "2"}, "tool": "search_value", "answer": {"Volume": "73.6686200925"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the unit cell volume (ų) for a material with element D as {}, lattice parameter {} Å, and En value {}."}
{"question": "What is the tertiary metal (M3) in the catalyst with primary metal Zn and methane conversion efficiency of 19.24849384%?", "refer_dataset": "table21", "column names": ["M1", "CH4 conversion (%)", "M3"], "condition_column": ["M1", "CH4 conversion (%)"], "answer_column": ["M3"], "condition": {"M1": "Zn", "CH4 conversion (%)": "19.24849384"}, "tool": "search_value", "answer": {"M3": "Hf"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tertiary metal (M3) in the catalyst with primary metal {} and methane conversion efficiency of {}%?"}
{"question": "Which space group number (sgNumber) corresponds to the file identifier 1000031?", "refer_dataset": "table38", "column names": ["file", "sgNumber"], "condition_column": ["file"], "answer_column": ["sgNumber"], "condition": {"file": "1000031"}, "tool": "search_value", "answer": {"sgNumber": "65.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which space group number (sgNumber) corresponds to the file identifier {}?"}
{"question": "For the Mg-F compound with job ID JQE-209, what are the stress tensor components?", "refer_dataset": "table59", "column names": ["jid", "stress"], "condition_column": ["jid"], "answer_column": ["stress"], "condition": {"jid": "JQE-209"}, "tool": "search_value", "answer": {"stress": "[[0.0010782221740506493, 0.0, 0.0], [0.0, 0.0009447864252640191, 0.0], [0.0, 0.0, 0.005778474378896387]]"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the Mg-F compound with job ID {}, what are the stress tensor components?"}
{"question": "Determine the reaction temperature needed for a catalyst with primary cation 22.0 and secondary anion 0.0 to achieve a C₂ selectivity abbreviation of 44.1.", "refer_dataset": "table20", "column names": ["Cation1", "Anion2", "C2selec", "Temperature"], "condition_column": ["Cation1", "Anion2", "C2selec"], "answer_column": ["Temperature"], "condition": {"Cation1": "22.0", "Anion2": "0.0", "C2selec": "44.1"}, "tool": "search_value", "answer": {"Temperature": "1073.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the reaction temperature needed for a catalyst with primary cation {} and secondary anion {} to achieve a C₂ selectivity abbreviation of {}."}
{"question": "Reveal the bulk modulus (Kv) of the material with formula InS and functional OptB88vdW?", "refer_dataset": "table48", "column names": ["formula", "func", "bulk_modulus_kv"], "condition_column": ["formula", "func"], "answer_column": ["bulk_modulus_kv"], "condition": {"formula": "InS", "func": "OptB88vdW"}, "tool": "search_value", "answer": {"bulk_modulus_kv": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Reveal the bulk modulus (Kv) of the material with formula {} and functional {}?"}
{"question": "What entry ID has a BP86 Scharber Jsc of 288.755697568, a BP86 HOMO of -0.173, and an M06 gap of 0.135?", "refer_dataset": "table51", "column names": ["bp86_scharber_jsc", "bp86_homo", "m06_gap", "id"], "condition_column": ["bp86_scharber_jsc", "bp86_homo", "m06_gap"], "answer_column": ["id"], "condition": {"bp86_scharber_jsc": "288.755697568", "bp86_homo": "-0.173", "m06_gap": "0.135"}, "tool": "search_value", "answer": {"id": "43"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What entry ID has a BP86 Scharber Jsc of {}, a BP86 HOMO of {}, and an M06 gap of {}?"}
{"question": "What is the bulk modulus (Voigt average) recorded under job ID JLMP-1107?", "refer_dataset": "table53", "column names": ["jid", "kv"], "condition_column": ["jid"], "answer_column": ["kv"], "condition": {"jid": "JLMP-1107"}, "tool": "search_value", "answer": {"kv": "5.81"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk modulus (Voigt average) recorded under job ID {}?"}
{"question": "Find the surface valence band maximum (surf_vbm) for the material ErSbPd.", "refer_dataset": "table66", "column names": ["formula", "surf_vbm"], "condition_column": ["formula"], "answer_column": ["surf_vbm"], "condition": {"formula": "ErSbPd"}, "tool": "search_value", "answer": {"surf_vbm": "1.8401"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the surface valence band maximum (surf_vbm) for the material {}."}
{"question": "What is the CO₂ adsorption pressure (bar) for an MOF with absolute adsorption of [0.012105, 0.0494431, 0.206808, 0.8691749999999999, 2.87034]?", "refer_dataset": "table50", "column names": ["co2_absp", "co2_pressures"], "condition_column": ["co2_absp"], "answer_column": ["co2_pressures"], "condition": {"co2_absp": "[0.012105, 0.0494431, 0.206808, 0.8691749999999999, 2.87034]"}, "tool": "search_value", "answer": {"co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CO₂ adsorption pressure (bar) for an MOF with absolute adsorption of {}?"}
{"question": "Which material’s Tc matches the value 0.1? Provide its formula.", "refer_dataset": "table65", "column names": ["Tc", "formula"], "condition_column": ["Tc"], "answer_column": ["formula"], "condition": {"Tc": "0.1"}, "tool": "search_value", "answer": {"formula": "Ca0.31Sr0.7Ti1O3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which material’s Tc matches the value {}? Provide its formula."}
{"question": "What is the product of the reaction catalyzed by OD-Cu+ Sn material with multiphase 0.0 and electric field 0.0?", "refer_dataset": "table12", "column names": ["Material", "Multiphase", "Electric field", "Product"], "condition_column": ["Material", "Multiphase", "Electric field"], "answer_column": ["Product"], "condition": {"Material": "OD-Cu+ Sn", "Multiphase": "0.0", "Electric field": "0.0"}, "tool": "search_value", "answer": {"Product": "CO"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the product of the reaction catalyzed by {} material with multiphase {} and electric field {}?"}
{"question": "What is the chemical formula for the crystal structure stored in file 1000039?", "refer_dataset": "table38", "column names": ["file", "formula"], "condition_column": ["file"], "answer_column": ["formula"], "condition": {"file": "1000039"}, "tool": "search_value", "answer": {"formula": "- Al6 Ca9 O18 -"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula for the crystal structure stored in file {}?"}
{"question": "What is the unique identifier for the material composed of Pr0.91La1Ce0.09Cu1O4 and exhibiting a Tc of 24.6?", "refer_dataset": "table65", "column names": ["formula", "Tc", "id"], "condition_column": ["formula", "Tc"], "answer_column": ["id"], "condition": {"formula": "Pr0.91La1Ce0.09Cu1O4", "Tc": "24.6"}, "tool": "search_value", "answer": {"id": "4010"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unique identifier for the material composed of {} and exhibiting a Tc of {}?"}
{"question": "Determine the bandgap of the material associated with material ID 2dm-10.", "refer_dataset": "table67", "column names": ["material_id", "bandgap"], "condition_column": ["material_id"], "answer_column": ["bandgap"], "condition": {"material_id": "2dm-10"}, "tool": "search_value", "answer": {"bandgap": "0.2086000000000005"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the bandgap of the material associated with material ID {}."}
{"question": "At what pH does material MIL-101 achieve 70.0% degradation efficiency with illumination time 15 minutes?", "refer_dataset": "table6", "column names": ["Material", "Degradation efficiency (%)", "Illumination time (min)", "pH"], "condition_column": ["Material", "Degradation efficiency (%)", "Illumination time (min)"], "answer_column": ["pH"], "condition": {"Material": "MIL-101", "Degradation efficiency (%)": "70.0", "Illumination time (min)": "15"}, "tool": "search_value", "answer": {"pH": "4.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what pH does material {} achieve {}% degradation efficiency with illumination time {} minutes?"}
{"question": "What is the polarizability (alpha) for a material that has dipole moment 0.0 and Gibbs free energy -15.862632751464844?", "refer_dataset": "table60", "column names": ["mu", "G", "alpha"], "condition_column": ["mu", "G"], "answer_column": ["alpha"], "condition": {"mu": "0.0", "G": "-15.862632751464844"}, "tool": "search_value", "answer": {"alpha": "16.280000686645508"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the polarizability (alpha) for a material that has dipole moment {} and Gibbs free energy {}?"}
{"question": "Find the bandgap value for the material with a material ID of 2dm-1 and exfoliation energy per atom of 0.23461665999999992.", "refer_dataset": "table67", "column names": ["material_id", "exfoliation_energy_per_atom", "bandgap"], "condition_column": ["material_id", "exfoliation_energy_per_atom"], "answer_column": ["bandgap"], "condition": {"material_id": "2dm-1", "exfoliation_energy_per_atom": "0.23461665999999992"}, "tool": "search_value", "answer": {"bandgap": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the bandgap value for the material with a material ID of {} and exfoliation energy per atom of {}."}
{"question": "What is the entry ID of a material with delta_e -0.0561393731465509 and band gap 0.0?", "refer_dataset": "table57", "column names": ["_oqmd_delta_e", "_oqmd_band_gap", "_oqmd_entry_id"], "condition_column": ["_oqmd_delta_e", "_oqmd_band_gap"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_delta_e": "-0.0561393731465509", "_oqmd_band_gap": "0.0"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "472981.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the entry ID of a material with delta_e {} and band gap {}?"}
{"question": "Determine the lattice parameter (Å) when the unit cell volume is 68.0188498248, element E has an atomic number of 8, and Dn is 0?", "refer_dataset": "table22", "column names": ["Volume", "E_AtomN", "Dn", "Lattice"], "condition_column": ["Volume", "E_AtomN", "Dn"], "answer_column": ["Lattice"], "condition": {"Volume": "68.0188498248", "E_AtomN": "8", "Dn": "0"}, "tool": "search_value", "answer": {"Lattice": "4.0820322165"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the lattice parameter (Å) when the unit cell volume is {}, element E has an atomic number of {}, and Dn is {}?"}
{"question": "Find the Wyckoff position notation for the chemical element symbol Hg in material entry JVASP-25273_Hg_a.", "refer_dataset": "table68", "column names": ["symbol", "id", "wycoff"], "condition_column": ["symbol", "id"], "answer_column": ["wycoff"], "condition": {"symbol": "Hg", "id": "JVASP-25273_Hg_a"}, "tool": "search_value", "answer": {"wycoff": "a"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Wyckoff position notation for the chemical element symbol {} in material entry {}."}
{"question": "Which preparation method (PM) yields a desorption temperature of 110℃ and SSA of 19.0 m²/g?", "refer_dataset": "table11", "column names": ["DT (℃)", "SSA (m2 g -1 )", "PM"], "condition_column": ["DT (℃)", "SSA (m2 g -1 )"], "answer_column": ["PM"], "condition": {"DT (℃)": "110", "SSA (m2 g -1 )": "19.0"}, "tool": "search_value", "answer": {"PM": "3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which preparation method (PM) yields a desorption temperature of {}℃ and SSA of {} m²/g?"}
{"question": "What is the chemical potential value recorded for the entry ID JVASP-867_Cu_a?", "refer_dataset": "table68", "column names": ["id", "chem_pot"], "condition_column": ["id"], "answer_column": ["chem_pot"], "condition": {"id": "JVASP-867_Cu_a"}, "tool": "search_value", "answer": {"chem_pot": "0.56289955"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical potential value recorded for the entry ID {}?"}
{"question": "Which perovskite compound has a value of 0.002394 in feature 30 and a similarity score of 0.28946?", "refer_dataset": "table14", "column names": ["30", "similarity", "Perovskite"], "condition_column": ["30", "similarity"], "answer_column": ["Perovskite"], "condition": {"30": "0.002394", "similarity": "0.28946"}, "tool": "search_value", "answer": {"Perovskite": "BaZrO3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which perovskite compound has a value of {} in feature 30 and a similarity score of {}?"}
{"question": "What is the solution concentration recorded for the compound [Pc2Tb]TBA?", "refer_dataset": "table34", "column names": ["compound", "concentration"], "condition_column": ["compound"], "answer_column": ["concentration"], "condition": {"compound": "[Pc2Tb]TBA"}, "tool": "search_value", "answer": {"concentration": "100.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the solution concentration recorded for the compound {}?"}
{"question": "Determine the publication year for compounds with a CSM value of 0.167 and axial distortion of 1.035098.", "refer_dataset": "table34", "column names": ["CSM", "axial_distortion", "pub_year"], "condition_column": ["CSM", "axial_distortion"], "answer_column": ["pub_year"], "condition": {"CSM": "0.167", "axial_distortion": "1.035098"}, "tool": "search_value", "answer": {"pub_year": "2009"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the publication year for compounds with a CSM value of {} and axial distortion of {}."}
{"question": "What is the Fermi energy level of the surface structure Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP?", "refer_dataset": "table66", "column names": ["name", "efermi"], "condition_column": ["name"], "answer_column": ["efermi"], "condition": {"name": "Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"efermi": "-2.48784608"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Fermi energy level of the surface structure {}?"}
{"question": "What is the primary material of the catalyst labeled Carbon Monoxide Dehydrogenase from Carboxydothermus hydrogenoformans?", "refer_dataset": "table12", "column names": ["Catalyst label", "Material"], "condition_column": ["Catalyst label"], "answer_column": ["Material"], "condition": {"Catalyst label": "Carbon Monoxide Dehydrogenase from Carboxydothermus hydrogenoformans"}, "tool": "search_value", "answer": {"Material": "Enzyme"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the primary material of the catalyst labeled {}?"}
{"question": "What is the unique identifier (id) of a material with formula SnS, shear modulus -4.318653419191119, and elastic anisotropy 14.004436456547142?", "refer_dataset": "table54", "column names": ["formula", "shear modulus", "elastic anisotropy", "id"], "condition_column": ["formula", "shear modulus", "elastic anisotropy"], "answer_column": ["id"], "condition": {"formula": "SnS", "shear modulus": "-4.318653419191119", "elastic anisotropy": "14.004436456547142"}, "tool": "search_value", "answer": {"id": "mp-10013"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unique identifier (id) of a material with formula {}, shear modulus {}, and elastic anisotropy {}?"}
{"question": "What is the exfoliation energy per atom for the material with source identifier mp-23309?", "refer_dataset": "table67", "column names": ["source_id", "exfoliation_energy_per_atom"], "condition_column": ["source_id"], "answer_column": ["exfoliation_energy_per_atom"], "condition": {"source_id": "mp-23309"}, "tool": "search_value", "answer": {"exfoliation_energy_per_atom": "0.0520959224999995"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the exfoliation energy per atom for the material with source identifier {}?"}
{"question": "Given the optimized structure O (SMILES_relaxed) and a Gibbs free energy (G) of 6.53867256157596, what is its primary vibrational frequency (omega1)?", "refer_dataset": "table61", "column names": ["SMILES_relaxed", "G", "omega1"], "condition_column": ["SMILES_relaxed", "G"], "answer_column": ["omega1"], "condition": {"SMILES_relaxed": "O", "G": "6.53867256157596"}, "tool": "search_value", "answer": {"omega1": "1.51212077045889"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given the optimized structure {} (SMILES_relaxed) and a Gibbs free energy (G) of {}, what is its primary vibrational frequency (omega1)?"}
{"question": "Find the mean OSDA axis 1 (axes_mean_0) for the SMILES C(CCCC[N+]12CCC(CC1)CC2)CCC[N+]12CCC(CC1)CC2.", "refer_dataset": "table41", "column names": ["osda smiles", "axes_mean_0"], "condition_column": ["osda smiles"], "answer_column": ["axes_mean_0"], "condition": {"osda smiles": "C(CCCC[N+]12CCC(CC1)CC2)CCC[N+]12CCC(CC1)CC2"}, "tool": "search_value", "answer": {"axes_mean_0": "4.911552669092809"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the mean OSDA axis 1 (axes_mean_0) for the SMILES {}."}
{"question": "What journal was the paper titled Numerical solution of shock and ramp compression for general material\n  properties published in?", "refer_dataset": "table45", "column names": ["title", "journal-ref"], "condition_column": ["title"], "answer_column": ["journal-ref"], "condition": {"title": "Numerical solution of shock and ramp compression for general material\n  properties"}, "tool": "search_value", "answer": {"journal-ref": "Journal of Applied Physics, vol 104, 073536 (2008)"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What journal was the paper titled {} published in?"}
{"question": "What initial concentration (mg/L) of Phenol correlates with reference 1.0?", "refer_dataset": "table9", "column names": ["OC", "C0, mg/L", "Ref"], "condition_column": ["OC", "C0, mg/L"], "answer_column": ["Ref"], "condition": {"OC": "Phenol", "C0, mg/L": "1.0"}, "tool": "search_value", "answer": {"Ref": "17"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What initial concentration (mg/L) of {} correlates with reference {}?"}
{"question": "What is the ionic dielectric contribution (diel_ion) for the entry with atomic energy 3.73473 and label -5.60422?", "refer_dataset": "table58", "column names": ["diel_ion", "atom_en", "label"], "condition_column": ["diel_ion", "atom_en"], "answer_column": ["label"], "condition": {"diel_ion": "3.73473", "atom_en": "-5.60422"}, "tool": "search_value", "answer": {"label": "Cd-based_polymer"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ionic dielectric contribution (diel_ion) for the entry with atomic energy {} and label {}?"}
{"question": "What comments are associated with the paper authored by Paolo Di Vecchia and report number NORDITA-2007-13?", "refer_dataset": "table45", "column names": ["authors", "report-no", "comments"], "condition_column": ["authors", "report-no"], "answer_column": ["comments"], "condition": {"authors": "Paolo Di Vecchia", "report-no": "NORDITA-2007-13"}, "tool": "search_value", "answer": {"comments": "Latex 60 pages, 2 figures, uses svmult.cls. Contribution to the\n  volume \"String theory and fundamental interactions\", dedicated to Gabriele\n  Veneziano on his 65th birthday."}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What comments are associated with the paper authored by {} and report number {}?"}
{"question": "Which bulk formula corresponds to job identifier JVASP-14604 after achieving chemical potential 0.32495403?", "refer_dataset": "table68", "column names": ["jid", "chem_pot", "bulk_formula"], "condition_column": ["jid", "chem_pot"], "answer_column": ["bulk_formula"], "condition": {"jid": "JVASP-14604", "chem_pot": "0.32495403"}, "tool": "search_value", "answer": {"bulk_formula": "Ba"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which bulk formula corresponds to job identifier {} after achieving chemical potential {}?"}
{"question": "Given a valence band maximum (VBM) of 3.9299 and a band alignment offset of 0.1705275340169199, determine the total optimized energy.", "refer_dataset": "table52", "column names": ["optb88vdw_vbm", "offset", "final_energy"], "condition_column": ["optb88vdw_vbm", "offset"], "answer_column": ["final_energy"], "condition": {"optb88vdw_vbm": "3.9299", "offset": "0.1705275340169199"}, "tool": "search_value", "answer": {"final_energy": "-94.22629209"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a valence band maximum (VBM) of {} and a band alignment offset of {}, determine the total optimized energy."}
{"question": "What polymer weight percentage corresponds to a Ca ion concentration of 249 mM?", "refer_dataset": "table42", "column names": ["Ca ion, mM", "Polymer, % wt."], "condition_column": ["Ca ion, mM"], "answer_column": ["Polymer, % wt."], "condition": {"Ca ion, mM": "249"}, "tool": "search_value", "answer": {"Polymer, % wt.": "0.08"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What polymer weight percentage corresponds to a Ca ion concentration of {} mM?"}
{"question": "Determine the mean Bertz complexity index for the molecule with SMILES C(CCC[N+]12CCC(CC1)CC2)CC[N+]12CCC(CC1)CC2.", "refer_dataset": "table41", "column names": ["osda smiles", "bertz_ct_mean_0"], "condition_column": ["osda smiles"], "answer_column": ["bertz_ct_mean_0"], "condition": {"osda smiles": "C(CCC[N+]12CCC(CC1)CC2)CC[N+]12CCC(CC1)CC2"}, "tool": "search_value", "answer": {"bertz_ct_mean_0": "1570.1172757693082"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the mean Bertz complexity index for the molecule with SMILES {}."}
{"question": "Which perovskite material has a value of SrCoO3 in feature 10?", "refer_dataset": "table14", "column names": ["Perovskite", "10"], "condition_column": ["Perovskite"], "answer_column": ["10"], "condition": {"Perovskite": "SrCoO3"}, "tool": "search_value", "answer": {"10": "-0.00934"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which perovskite material has a value of {} in feature 10?"}
{"question": "Which space group does the material with Materials Project ID mp-11279 belong to?", "refer_dataset": "table55", "column names": ["material_id", "spacegroup"], "condition_column": ["material_id"], "answer_column": ["spacegroup"], "condition": {"material_id": "mp-11279"}, "tool": "search_value", "answer": {"spacegroup": "{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Pm-3m', 'number': 221, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': '-P 4 2 3'}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which space group does the material with Materials Project ID {} belong to?"}
{"question": "What is the exfoliation energy per atom for the material with source identifier mp-1115?", "refer_dataset": "table67", "column names": ["source_id", "exfoliation_energy_per_atom"], "condition_column": ["source_id"], "answer_column": ["exfoliation_energy_per_atom"], "condition": {"source_id": "mp-1115"}, "tool": "search_value", "answer": {"exfoliation_energy_per_atom": "0.10932832333333353"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the exfoliation energy per atom for the material with source identifier {}?"}
{"question": "What is the surface area (m²/g) of the MOF identified by ID hMOF-23232?", "refer_dataset": "table50", "column names": ["id", "surface_area_m2g"], "condition_column": ["id"], "answer_column": ["surface_area_m2g"], "condition": {"id": "hMOF-23232"}, "tool": "search_value", "answer": {"surface_area_m2g": "3400.7"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the surface area (m²/g) of the MOF identified by ID {}?"}
{"question": "What is the bulk modulus (Voigt average) for materials containing -Pd when using the PdAgH_HybridPd3Ag.eam.alloy potential?", "refer_dataset": "table53", "column names": ["search", "func", "kv"], "condition_column": ["search", "func"], "answer_column": ["kv"], "condition": {"search": "-Pd", "func": "PdAgH_HybridPd3Ag.eam.alloy"}, "tool": "search_value", "answer": {"kv": "42.64200000000001"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk modulus (Voigt average) for materials containing {} when using the {} potential?"}
{"question": "Determine the atomic number of element E if material volume is 64.4121955981 ų, lattice parameter is 4.0085690381 Å, and element D is H.", "refer_dataset": "table22", "column names": ["Volume", "Lattice", "D", "E_AtomN"], "condition_column": ["Volume", "Lattice", "D"], "answer_column": ["E_AtomN"], "condition": {"Volume": "64.4121955981", "Lattice": "4.0085690381", "D": "H"}, "tool": "search_value", "answer": {"E_AtomN": "8"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the atomic number of element E if material volume is {} ų, lattice parameter is {} Å, and element D is {}."}
{"question": "Determine the post-simulation atomic structure (final_atoms) for surface material BeTe.", "refer_dataset": "table66", "column names": ["formula", "final_atoms"], "condition_column": ["formula"], "answer_column": ["final_atoms"], "condition": {"formula": "BeTe"}, "tool": "search_value", "answer": {"final_atoms": "{'lattice_mat': [[8.00292141, 0.0, 0.0], [0.0, 5.65892, 0.0], [0.0, 0.0, 24.00438212]], 'coords': [[-1.64e-06, 0.55949428, 0.07600698], [0.49999658, 0.62950481, 0.21366333], [-1.34e-06, 0.62584928, 0.36201391], [0.7500032, 0.13192405, 0.13600528], [0.25000348, 0.13198531, 0.29566347], [0.75001729, 0.08025652, 0.42164777], [0.24998896, 0.13192336, 0.13600595], [0.75000374, 0.1319788, 0.29566189], [0.24998589, 0.08027091, 0.42164454], [0.49999101, 0.55949703, 0.07600737], [-5.29e-06, 0.629493, 0.21366654], [0.50000369, 0.62587167, 0.362022], [0.24999542, 0.36247006, 0.05105005], [0.74999762, 0.38780338, 0.2168637], [0.2500016, 0.41330016, 0.37172344], [-5.7e-06, 0.88902797, 0.13490498], [0.50000822, 0.89500332, 0.28858174], [1.03e-06, 0.89332962, 0.43242953], [0.49999439, 0.88903679, 0.13490226], [7.84e-06, 0.89500809, 0.2885825], [0.50000195, 0.89336629, 0.43242279], [0.75000512, 0.3624909, 0.05104537], [0.25000365, 0.38780162, 0.21685733], [0.75000327, 0.41331276, 0.37172208]], 'elements': ['Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te'], 'abc': [8.00292, 5.65892, 24.00438], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the post-simulation atomic structure (final_atoms) for surface material {}."}
{"question": "What is the oxygen conversion percentage with a resource type of 21,1?", "refer_dataset": "table27", "column names": ["O2 Conv(%)", "Resource"], "condition_column": ["O2 Conv(%)"], "answer_column": ["Resource"], "condition": {"O2 Conv(%)": "21,1"}, "tool": "search_value", "answer": {"Resource": "Refernce"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the oxygen conversion percentage with a resource type of {}?"}
{"question": "Identify materials where GGA_optical < HSE_optical by more than 2.266085 eV, while exhibiting 3.294992 magnetic state.", "refer_dataset": "table63", "column names": ["Band_gap_GGA_optical", "Band_gap_HSE_optical", "Magnetic_ordering"], "condition_column": ["Band_gap_GGA_optical", "Band_gap_HSE_optical"], "answer_column": ["Magnetic_ordering"], "condition": {"Band_gap_GGA_optical": "2.266085", "Band_gap_HSE_optical": "3.294992"}, "tool": "search_value", "answer": {"Magnetic_ordering": "NM"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify materials where GGA_optical < HSE_optical by more than {} eV, while exhibiting {} magnetic state."}
{"question": "What is the unique entry ID for the material with bulk energy -4.21728 and formation energy 1.10018?", "refer_dataset": "table68", "column names": ["bulk_energy", "ef", "id"], "condition_column": ["bulk_energy", "ef"], "answer_column": ["id"], "condition": {"bulk_energy": "-4.21728", "ef": "1.10018"}, "tool": "search_value", "answer": {"id": "JVASP-25104_Cl_f"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unique entry ID for the material with bulk energy {} and formation energy {}?"}
{"question": "What is the polarizability (alpha) for a material that has dipole moment 0.7156000137329102 and Gibbs free energy -27.37781143188477?", "refer_dataset": "table60", "column names": ["mu", "G", "alpha"], "condition_column": ["mu", "G"], "answer_column": ["alpha"], "condition": {"mu": "0.7156000137329102", "G": "-27.37781143188477"}, "tool": "search_value", "answer": {"alpha": "28.780000686645508"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the polarizability (alpha) for a material that has dipole moment {} and Gibbs free energy {}?"}
{"question": "Determine the thermodynamic stability for materials with a band gap energy of 0.595000000000001.", "refer_dataset": "table57", "column names": ["_oqmd_band_gap", "_oqmd_stability"], "condition_column": ["_oqmd_band_gap"], "answer_column": ["_oqmd_stability"], "condition": {"_oqmd_band_gap": "0.595000000000001"}, "tool": "search_value", "answer": {"_oqmd_stability": "0.000223355000001"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the thermodynamic stability for materials with a band gap energy of {}."}
{"question": "What is the bulk modulus (Voigt average) recorded under job ID JLMP-100?", "refer_dataset": "table53", "column names": ["jid", "kv"], "condition_column": ["jid"], "answer_column": ["kv"], "condition": {"jid": "JLMP-100"}, "tool": "search_value", "answer": {"kv": "126.06733333333332"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk modulus (Voigt average) recorded under job ID {}?"}
{"question": "Find the ionic radius (Å) for the element with atomic number 0.91.", "refer_dataset": "table36", "column names": ["Atomic Radius (Å)", "Ionic Radius (angstroms)"], "condition_column": ["Atomic Radius (Å)"], "answer_column": ["Ionic Radius (angstroms)"], "condition": {"Atomic Radius (Å)": "0.91"}, "tool": "search_value", "answer": {"Ionic Radius (angstroms)": "0.16"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the ionic radius (Å) for the element with atomic number {}."}
{"question": "How many atoms are present in the Mg-F compound with the job identifier JQE-209?", "refer_dataset": "table59", "column names": ["jid", "natoms"], "condition_column": ["jid"], "answer_column": ["natoms"], "condition": {"jid": "JQE-209"}, "tool": "search_value", "answer": {"natoms": "3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many atoms are present in the Mg-F compound with the job identifier {}?"}
{"question": "What is the Digital Object Identifier (DOI) for Bosonic characters of atomic Cooper pairs across resonance?", "refer_dataset": "table45", "column names": ["title", "doi"], "condition_column": ["title"], "answer_column": ["doi"], "condition": {"title": "Bosonic characters of atomic Cooper pairs across resonance"}, "tool": "search_value", "answer": {"doi": "10.1103/PhysRevA.75.043613"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Digital Object Identifier (DOI) for {}?"}
{"question": "What is the ethylene yield percentage when M1 is 11,8, M2 is Na, and support material is Mn?", "refer_dataset": "table27", "column names": ["C2H4 yield(%)", "M1", "M2", "Support"], "condition_column": ["C2H4 yield(%)", "M1", "M2"], "answer_column": ["Support"], "condition": {"C2H4 yield(%)": "11,8", "M1": "Na", "M2": "Mn"}, "tool": "search_value", "answer": {"Support": "SiO2"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ethylene yield percentage when M1 is {}, M2 is {}, and support material is {}?"}
{"question": "Which authors contributed to the paper titled Ileana Streinu and Louis Theran?", "refer_dataset": "table45", "column names": ["authors", "title"], "condition_column": ["authors"], "answer_column": ["title"], "condition": {"authors": "Ileana Streinu and Louis Theran"}, "tool": "search_value", "answer": {"title": "Sparsity-certifying Graph Decompositions"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which authors contributed to the paper titled {}?"}
{"question": "What is the formation energy per atom for the material with chemical composition TiBr3?", "refer_dataset": "table48", "column names": ["formula", "formation_energy_peratom"], "condition_column": ["formula"], "answer_column": ["formation_energy_peratom"], "condition": {"formula": "TiBr3"}, "tool": "search_value", "answer": {"formation_energy_peratom": "-1.18448"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy per atom for the material with chemical composition {}?"}
{"question": "Find the value of feature 40 for a perovskite with similarity 0.318801 and feature 10 set to 0.016905.", "refer_dataset": "table14", "column names": ["similarity", "10", "40"], "condition_column": ["similarity", "10"], "answer_column": ["40"], "condition": {"similarity": "0.318801", "10": "0.016905"}, "tool": "search_value", "answer": {"40": "-0.01322"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the value of feature 40 for a perovskite with similarity {} and feature 10 set to {}."}
{"question": "What is the feature 55 value when perovskite SrFeO3 has a similarity score of 0.288779?", "refer_dataset": "table14", "column names": ["Perovskite", "similarity", "55"], "condition_column": ["Perovskite", "similarity"], "answer_column": ["55"], "condition": {"Perovskite": "SrFeO3", "similarity": "0.288779"}, "tool": "search_value", "answer": {"55": "0.00626"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the feature 55 value when perovskite {} has a similarity score of {}?"}
{"question": "What is the space group symbol for the material with job ID JVASP-14014?", "refer_dataset": "table47", "column names": ["jid", "spg_symbol"], "condition_column": ["jid"], "answer_column": ["spg_symbol"], "condition": {"jid": "JVASP-14014"}, "tool": "search_value", "answer": {"spg_symbol": "Pnma"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the space group symbol for the material with job ID {}?"}
{"question": "Find the energy per atom of the material with the source identifier mp-620029.", "refer_dataset": "table67", "column names": ["source_id", "energy_per_atom"], "condition_column": ["source_id"], "answer_column": ["energy_per_atom"], "condition": {"source_id": "mp-620029"}, "tool": "search_value", "answer": {"energy_per_atom": "-5.522549199166666"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the energy per atom of the material with the source identifier {}."}
{"question": "What is the energy gap (gap) for the material identified by 7.0?", "refer_dataset": "table60", "column names": ["id", "gap"], "condition_column": ["id"], "answer_column": ["gap"], "condition": {"id": "7.0"}, "tool": "search_value", "answer": {"gap": "9.352553367614746"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy gap (gap) for the material identified by {}?"}
{"question": "For adsorbed species CO* and hydrogen species CO, what is the reaction energy (eV) on surface -110?", "refer_dataset": "table18", "column names": ["ab", "a", "surfaces", "reaction_energy"], "condition_column": ["ab", "a", "surfaces"], "answer_column": ["reaction_energy"], "condition": {"ab": "CO*", "a": "CO", "surfaces": "-110"}, "tool": "search_value", "answer": {"reaction_energy": "1.627"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For adsorbed species {} and hydrogen species {}, what is the reaction energy (eV) on surface {}?"}
{"question": "What is the Gibbs free energy (G) of a material with dipole moment 0.7156000137329102 and polarizability 28.780000686645508?", "refer_dataset": "table60", "column names": ["mu", "alpha", "G"], "condition_column": ["mu", "alpha"], "answer_column": ["G"], "condition": {"mu": "0.7156000137329102", "alpha": "28.780000686645508"}, "tool": "search_value", "answer": {"G": "-27.37781143188477"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Gibbs free energy (G) of a material with dipole moment {} and polarizability {}?"}
{"question": "What La concentration occurs when Y is 0.0 and J.uAcm2_0.80_fromCV is 911.356?", "refer_dataset": "table16", "column names": ["Y", "J.uAcm2_0.80_fromCV", "La"], "condition_column": ["Y", "J.uAcm2_0.80_fromCV"], "answer_column": ["La"], "condition": {"Y": "0.0", "J.uAcm2_0.80_fromCV": "911.356"}, "tool": "search_value", "answer": {"La": "0.4"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What La concentration occurs when Y is {} and J.uAcm2_0.80_fromCV is {}?"}
{"question": "Provide the GGA band gap energy (gga_gap) for the material labeled 3.639 with a unit cell volume of Cd-based_polymer cubic angstroms.", "refer_dataset": "table58", "column names": ["gga_gap", "label", "vol"], "condition_column": ["gga_gap", "label"], "answer_column": ["vol"], "condition": {"gga_gap": "3.639", "label": "Cd-based_polymer"}, "tool": "search_value", "answer": {"vol": "95.7759"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the GGA band gap energy (gga_gap) for the material labeled {} with a unit cell volume of {} cubic angstroms."}
{"question": "Find the Zeolite phase identifier (Zeo2) when the Silicon molar ratio (Si) is MFI, Germanium molar ratio (Ge) is 1, and Aluminum molar ratio (Al) is 1.0.", "refer_dataset": "table40", "column names": ["Zeo2", "Si", "Ge", "Al"], "condition_column": ["Zeo2", "Si", "Ge"], "answer_column": ["Al"], "condition": {"Zeo2": "MFI", "Si": "1", "Ge": "1.0"}, "tool": "search_value", "answer": {"Al": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Zeolite phase identifier (Zeo2) when the Silicon molar ratio (Si) is {}, Germanium molar ratio (Ge) is {}, and Aluminum molar ratio (Al) is {}."}
{"question": "What is the electron affinity of element A (EAa) when composition AgTa0.6Nb0.4O3 has a bandgap (Eg) of 2.9 eV and density of A (ρa) is 10.5?", "refer_dataset": "table2", "column names": ["Materials", "Eg(eV)", "ρa", "EAa"], "condition_column": ["Materials", "Eg(eV)", "ρa"], "answer_column": ["EAa"], "condition": {"Materials": "AgTa0.6Nb0.4O3", "Eg(eV)": "2.9", "ρa": "10.5"}, "tool": "search_value", "answer": {"EAa": "125.6"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electron affinity of element A (EAa) when composition {} has a bandgap (Eg) of {} eV and density of A (ρa) is {}?"}
{"question": "For a material with B3LYP gap 0.088, PBE0 LUMO -0.113, and BP86 HOMO -0.183, determine the id.", "refer_dataset": "table51", "column names": ["b3lyp_gap", "pbe0_lumo", "bp86_homo", "id"], "condition_column": ["b3lyp_gap", "pbe0_lumo", "bp86_homo"], "answer_column": ["id"], "condition": {"b3lyp_gap": "0.088", "pbe0_lumo": "-0.113", "bp86_homo": "-0.183"}, "tool": "search_value", "answer": {"id": "21"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a material with B3LYP gap {}, PBE0 LUMO {}, and BP86 HOMO {}, determine the id."}
{"question": "Retrieve the formula_energy of the compound with ID 1917 and formula AsO4Sc.", "refer_dataset": "table64", "column names": ["id", "formula", "formula_energy"], "condition_column": ["id", "formula"], "answer_column": ["formula_energy"], "condition": {"id": "1917", "formula": "AsO4Sc"}, "tool": "search_value", "answer": {"formula_energy": "-2.47536769923"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the formula_energy of the compound with ID {} and formula {}."}
{"question": "What is the source (src) of the entry where the electronic dielectric contribution (diel_elec) is Huan_etal:SciDat(submitted) and the atomic energy is 3.34732?", "refer_dataset": "table58", "column names": ["src", "diel_elec", "atom_en"], "condition_column": ["src", "diel_elec"], "answer_column": ["atom_en"], "condition": {"src": "Huan_etal:SciDat(submitted)", "diel_elec": "3.34732"}, "tool": "search_value", "answer": {"atom_en": "-5.88521"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the source (src) of the entry where the electronic dielectric contribution (diel_elec) is {} and the atomic energy is {}?"}
{"question": "What is the band gap (gap pbe) of the compound BaN2?", "refer_dataset": "table54", "column names": ["formula", "gap pbe"], "condition_column": ["formula"], "answer_column": ["gap pbe"], "condition": {"formula": "BaN2"}, "tool": "search_value", "answer": {"gap pbe": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band gap (gap pbe) of the compound {}?"}
{"question": "What is the AFLOWLIB Uniform Resource Locator (AURL) for the entry with the AFLOWLIB Unique Identifier (auid) 185e329bf1e88217?", "refer_dataset": "table43", "column names": ["auid", "aurl"], "condition_column": ["auid"], "answer_column": ["aurl"], "condition": {"auid": "185e329bf1e88217"}, "tool": "search_value", "answer": {"aurl": "aflowlib.duke.edu:AFLOWDATA/LIB2_RAW/AgPd_pv/309"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the AFLOWLIB Uniform Resource Locator (AURL) for the entry with the AFLOWLIB Unique Identifier (auid) {}?"}
{"question": "Find the primary support molar percentage when the secondary cation is 57.0 and the C₂ yield classification is 3.0.", "refer_dataset": "table20", "column names": ["Cation2", "C2-yield-class", "Support1-mol"], "condition_column": ["Cation2", "C2-yield-class"], "answer_column": ["Support1-mol"], "condition": {"Cation2": "57.0", "C2-yield-class": "3.0"}, "tool": "search_value", "answer": {"Support1-mol": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the primary support molar percentage when the secondary cation is {} and the C₂ yield classification is {}."}
{"question": "Which substitution anion X1 accompanies primary element B Ti and surface area 1.9 m²/g?", "refer_dataset": "table4", "column names": ["B", "Surface Area(m2/g)", "X1"], "condition_column": ["B", "Surface Area(m2/g)"], "answer_column": ["X1"], "condition": {"B": "Ti", "Surface Area(m2/g)": "1.9"}, "tool": "search_value", "answer": {"X1": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which substitution anion X1 accompanies primary element B {} and surface area {} m²/g?"}
{"question": "What is the formula of the material assigned ID 4837?", "refer_dataset": "table65", "column names": ["id", "formula"], "condition_column": ["id"], "answer_column": ["formula"], "condition": {"id": "4837"}, "tool": "search_value", "answer": {"formula": "La1.85Ca0.989Sr0.161Cu2O5.93"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formula of the material assigned ID {}?"}
{"question": "Which material’s Tc matches the value 7.31? Provide its formula.", "refer_dataset": "table65", "column names": ["Tc", "formula"], "condition_column": ["Tc"], "answer_column": ["formula"], "condition": {"Tc": "7.31"}, "tool": "search_value", "answer": {"formula": "Er1Ni1.965Fe0.035B2C1"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which material’s Tc matches the value {}? Provide its formula."}
{"question": "Determine the GGA band gap energy (gga_gap) for the material labeled 2.9104.", "refer_dataset": "table58", "column names": ["gga_gap", "label"], "condition_column": ["gga_gap"], "answer_column": ["label"], "condition": {"gga_gap": "2.9104"}, "tool": "search_value", "answer": {"label": "SnF2-based_polymer"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the GGA band gap energy (gga_gap) for the material labeled {}."}
{"question": "Identify the thermodynamic stability of materials where delta_e is 0.22276803810345.", "refer_dataset": "table57", "column names": ["_oqmd_delta_e", "_oqmd_stability"], "condition_column": ["_oqmd_delta_e"], "answer_column": ["_oqmd_stability"], "condition": {"_oqmd_delta_e": "0.22276803810345"}, "tool": "search_value", "answer": {"_oqmd_stability": "0.63348814435345"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the thermodynamic stability of materials where delta_e is {}."}
{"question": "What is the direct bandgap energy (eV) for a composition with A_AtomN 49, B element He, and Cn value 1?", "refer_dataset": "table22", "column names": ["A_AtomN", "B", "Cn", "Direct_Band"], "condition_column": ["A_AtomN", "B", "Cn"], "answer_column": ["Direct_Band"], "condition": {"A_AtomN": "49", "B": "He", "Cn": "1"}, "tool": "search_value", "answer": {"Direct_Band": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the direct bandgap energy (eV) for a composition with A_AtomN {}, B element {}, and Cn value {}?"}
{"question": "What is the secondary anion molar percentage when the primary cation is 48.0 and the oxygen pressure is 0.084?", "refer_dataset": "table20", "column names": ["Cation1", "O2-pressure", "Anion2-mol"], "condition_column": ["Cation1", "O2-pressure"], "answer_column": ["Anion2-mol"], "condition": {"Cation1": "48.0", "O2-pressure": "0.084"}, "tool": "search_value", "answer": {"Anion2-mol": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary anion molar percentage when the primary cation is {} and the oxygen pressure is {}?"}
{"question": "What is the magnetic moment (mu_b) for ID mp-1000 with shear modulus -52.72219089789422?", "refer_dataset": "table56", "column names": ["id", "shear modulus", "mu_b"], "condition_column": ["id", "shear modulus"], "answer_column": ["mu_b"], "condition": {"id": "mp-1000", "shear modulus": "-52.72219089789422"}, "tool": "search_value", "answer": {"mu_b": "7.9e-06"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the magnetic moment (mu_b) for ID {} with shear modulus {}?"}
{"question": "What is the aging time (AH) for the molecular formula LaCrO3 prepared via method 3?", "refer_dataset": "table11", "column names": ["Molecular formulas", "PM", "AH (h)"], "condition_column": ["Molecular formulas", "PM"], "answer_column": ["AH (h)"], "condition": {"Molecular formulas": "LaCrO3", "PM": "3"}, "tool": "search_value", "answer": {"AH (h)": "5"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the aging time (AH) for the molecular formula {} prepared via method {}?"}
{"question": "What additional catalyst components are present in experiments with synthesis time 38.0 hours?", "refer_dataset": "table7", "column names": ["Synthesis_Time", "Additional"], "condition_column": ["Synthesis_Time"], "answer_column": ["Additional"], "condition": {"Synthesis_Time": "38.0"}, "tool": "search_value", "answer": {"Additional": "none"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What additional catalyst components are present in experiments with synthesis time {} hours?"}
{"question": "Calculate the conduction band minimum (surf_cbm) for material BeTe and surface Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP when the average maximum potential is 13.323995191034284.", "refer_dataset": "table66", "column names": ["formula", "name", "avg_max", "surf_cbm"], "condition_column": ["formula", "name", "avg_max"], "answer_column": ["surf_cbm"], "condition": {"formula": "BeTe", "name": "Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP", "avg_max": "13.323995191034284"}, "tool": "search_value", "answer": {"surf_cbm": "-2.201"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the conduction band minimum (surf_cbm) for material {} and surface {} when the average maximum potential is {}."}
{"question": "What is the energy above convex hull (e_hull) for the compound with the formula BaTe?", "refer_dataset": "table54", "column names": ["formula", "e_hull"], "condition_column": ["formula"], "answer_column": ["e_hull"], "condition": {"formula": "BaTe"}, "tool": "search_value", "answer": {"e_hull": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the energy above convex hull (e_hull) for the compound with the formula {}?"}
{"question": "What is the chemical formula (species) of the compound with numerical identifier 0?", "refer_dataset": "table46", "column names": ["name", "species"], "condition_column": ["name"], "answer_column": ["species"], "condition": {"name": "0"}, "tool": "search_value", "answer": {"species": "NH3NH3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula (species) of the compound with numerical identifier {}?"}
{"question": "Determine the calcination temperature (CT) required for the molecular formula LaFeO3 to achieve a specific surface area of 1.08 m²/g.", "refer_dataset": "table11", "column names": ["Molecular formulas", "SSA (m2 g -1 )", "CT (℃)"], "condition_column": ["Molecular formulas", "SSA (m2 g -1 )"], "answer_column": ["CT (℃)"], "condition": {"Molecular formulas": "LaFeO3", "SSA (m2 g -1 )": "1.08"}, "tool": "search_value", "answer": {"CT (℃)": "900"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the calcination temperature (CT) required for the molecular formula {} to achieve a specific surface area of {} m²/g."}
{"question": "Determine the ID for the material whose formula is B2Th1.", "refer_dataset": "table65", "column names": ["formula", "id"], "condition_column": ["formula"], "answer_column": ["id"], "condition": {"formula": "B2Th1"}, "tool": "search_value", "answer": {"id": "14309"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the ID for the material whose formula is {}."}
{"question": "Provide the reference identifier for the perovskite compound Sr2Sb2O7 that has primary A site Sr and cycle3 measurement 26.", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "A site", "cycle3", "Ref"], "condition_column": ["Full Name of Perovskite", "A site", "cycle3"], "answer_column": ["Ref"], "condition": {"Full Name of Perovskite": "Sr2Sb2O7", "A site": "Sr", "cycle3": "26"}, "tool": "search_value", "answer": {"Ref": "[A75]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the reference identifier for the perovskite compound {} that has primary A site {} and cycle3 measurement {}."}
{"question": "What is the first ionization energy of element B (I1b) in a material with electronegativity of A (χpa) 1.93, electron affinity of B (EAb) 42.12, and molar mass (M) 319.2?", "refer_dataset": "table2", "column names": ["χpa", "EAb", "M", "I1b"], "condition_column": ["χpa", "EAb", "M"], "answer_column": ["I1b"], "condition": {"χpa": "1.93", "EAb": "42.12", "M": "319.2"}, "tool": "search_value", "answer": {"I1b": "7.391"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the first ionization energy of element B (I1b) in a material with electronegativity of A (χpa) {}, electron affinity of B (EAb) {}, and molar mass (M) {}?"}
{"question": "Determine the temperature needed for solvent type Methyl alcohol, polymer weight 0.0 kDa, and surfactant type Sodium dodecylsulfate.", "refer_dataset": "table42", "column names": ["Solvent type", "Polymer Mwt, kDa", "Surfactant type", "Temperature, C"], "condition_column": ["Solvent type", "Polymer Mwt, kDa", "Surfactant type"], "answer_column": ["Temperature, C"], "condition": {"Solvent type": "Methyl alcohol", "Polymer Mwt, kDa": "0.0", "Surfactant type": "Sodium dodecylsulfate"}, "tool": "search_value", "answer": {"Temperature, C": "26"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the temperature needed for solvent type {}, polymer weight {} kDa, and surfactant type {}."}
{"question": "Which anion element is present in the crystal structure of the material composition Ba2Ca6Fe8O24?", "refer_dataset": "table35", "column names": ["Material Composition", "X site"], "condition_column": ["Material Composition"], "answer_column": ["X site"], "condition": {"Material Composition": "Ba2Ca6Fe8O24"}, "tool": "search_value", "answer": {"X site": "O"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which anion element is present in the crystal structure of the material composition {}?"}
{"question": "Report the number of sites for a material with Hubbard U values {'Na': 0.0, 'Mn': 3.9, 'C': 0.0, 'S': 0.0, 'O': 0.0} and oxide type oxide.", "refer_dataset": "table55", "column names": ["hubbards", "oxide_type", "nsites"], "condition_column": ["hubbards", "oxide_type"], "answer_column": ["nsites"], "condition": {"hubbards": "{'Na': 0.0, 'Mn': 3.9, 'C': 0.0, 'S': 0.0, 'O': 0.0}", "oxide_type": "oxide"}, "tool": "search_value", "answer": {"nsites": "54"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the number of sites for a material with Hubbard U values {} and oxide type {}."}
{"question": "Which element maps to the reference ID mvc-11034?", "refer_dataset": "table53", "column names": ["ref", "search"], "condition_column": ["ref"], "answer_column": ["search"], "condition": {"ref": "mvc-11034"}, "tool": "search_value", "answer": {"search": "-Cu-O-Ti"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which element maps to the reference ID {}?"}
{"question": "What synthesis duration is required for polymer type PVP, surfactant type Myristyltrimethylammonium bromide, and temperature 58 C?", "refer_dataset": "table42", "column names": ["Polymer type", "Surfactant type", "Temperature, C", "Synthesis time"], "condition_column": ["Polymer type", "Surfactant type", "Temperature, C"], "answer_column": ["Synthesis time"], "condition": {"Polymer type": "PVP", "Surfactant type": "Myristyltrimethylammonium bromide", "Temperature, C": "58"}, "tool": "search_value", "answer": {"Synthesis time": "89 min 0 sec"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What synthesis duration is required for polymer type {}, surfactant type {}, and temperature {} C?"}
{"question": "What is the Base element present in the Composition BeLi?", "refer_dataset": "table24", "column names": ["Composition", "Base"], "condition_column": ["Composition"], "answer_column": ["Base"], "condition": {"Composition": "BeLi"}, "tool": "search_value", "answer": {"Base": "Be"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Base element present in the Composition {}?"}
{"question": "What is the shear modulus (Gv) of a material with exfoliation energy 77.18 and Poisson’s ratio na?", "refer_dataset": "table48", "column names": ["exfoliation_energy", "poisson", "shear_modulus_gv"], "condition_column": ["exfoliation_energy", "poisson"], "answer_column": ["shear_modulus_gv"], "condition": {"exfoliation_energy": "77.18", "poisson": "na"}, "tool": "search_value", "answer": {"shear_modulus_gv": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the shear modulus (Gv) of a material with exfoliation energy {} and Poisson’s ratio {}?"}
{"question": "What pH level was used for Sulfadiazine natrium salt when the light intensity was 2.9 mW/cm² and temperature 21°C?", "refer_dataset": "table9", "column names": ["OC", "I, mW/cm2", "T, oC", "pH"], "condition_column": ["OC", "I, mW/cm2", "T, oC"], "answer_column": ["pH"], "condition": {"OC": "Sulfadiazine natrium salt", "I, mW/cm2": "2.9", "T, oC": "21"}, "tool": "search_value", "answer": {"pH": "6.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What pH level was used for {} when the light intensity was {} mW/cm² and temperature {}°C?"}
{"question": "Calculate the Methane adsorption energy (CH4Ead) for the Base Be combined with Dope N.", "refer_dataset": "table24", "column names": ["Base", "Dope", "CH4Ead"], "condition_column": ["Base", "Dope"], "answer_column": ["CH4Ead"], "condition": {"Base": "Be", "Dope": "N"}, "tool": "search_value", "answer": {"CH4Ead": "0.1343645818"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the Methane adsorption energy (CH4Ead) for the Base {} combined with Dope {}."}
{"question": "At what calcination temperature (K) was a reaction solution of 353.0 used?", "refer_dataset": "table1", "column names": ["Calcination temperature(K)", "Reaction solution"], "condition_column": ["Calcination temperature(K)"], "answer_column": ["Reaction solution"], "condition": {"Calcination temperature(K)": "353.0"}, "tool": "search_value", "answer": {"Reaction solution": "5/22 v/v CH3OH"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what calcination temperature (K) was a reaction solution of {} used?"}
{"question": "What is the hydrogen production rate (RH2) for the photocatalyst with molecular formula La0.85Sr0.15FeO3?", "refer_dataset": "table1", "column names": ["Molecular formula", "RH2(µmol h-1 g-1)"], "condition_column": ["Molecular formula"], "answer_column": ["RH2(µmol h-1 g-1)"], "condition": {"Molecular formula": "La0.85Sr0.15FeO3"}, "tool": "search_value", "answer": {"RH2(µmol h-1 g-1)": "30.7"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the hydrogen production rate (RH2) for the photocatalyst with molecular formula {}?"}
{"question": "Determine the cycle1 performance for a material with primary B site Ti, secondary B2 site Rh, and reference ID [A85].", "refer_dataset": "table5", "column names": ["B site", "B2 site", "Ref", "cycle1"], "condition_column": ["B site", "B2 site", "Ref"], "answer_column": ["cycle1"], "condition": {"B site": "Ti", "B2 site": "Rh", "Ref": "[A85]"}, "tool": "search_value", "answer": {"cycle1": "238.3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the cycle1 performance for a material with primary B site {}, secondary B2 site {}, and reference ID {}."}
{"question": "Identify the reference identifier for a material with primary B site Ti, secondary B2 site Nb, and cycle3 performance 350.", "refer_dataset": "table5", "column names": ["B site", "B2 site", "cycle3", "Ref"], "condition_column": ["B site", "B2 site", "cycle3"], "answer_column": ["Ref"], "condition": {"B site": "Ti", "B2 site": "Nb", "cycle3": "350"}, "tool": "search_value", "answer": {"Ref": "[A152]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the reference identifier for a material with primary B site {}, secondary B2 site {}, and cycle3 performance {}."}
{"question": "Determine the Reaction energy (ReactionE) for a material with Base Be and Dope B.", "refer_dataset": "table24", "column names": ["Base", "Dope", "ReactionE"], "condition_column": ["Base", "Dope"], "answer_column": ["ReactionE"], "condition": {"Base": "Be", "Dope": "B"}, "tool": "search_value", "answer": {"ReactionE": "-0.1687564622"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the Reaction energy (ReactionE) for a material with Base {} and Dope {}."}
{"question": "Identify the OER warning flag status for the article from Peoples R China (Country) with an alkaline overpotential of 95.45.", "refer_dataset": "table13", "column names": ["Country", "Alkaline_OVP", "Warning_OER.1"], "condition_column": ["Country", "Alkaline_OVP"], "answer_column": ["Warning_OER.1"], "condition": {"Country": "Peoples R China", "Alkaline_OVP": "95.45"}, "tool": "search_value", "answer": {"Warning_OER.1": "0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the OER warning flag status for the article from {} (Country) with an alkaline overpotential of {}."}
{"question": "What is the chemical formula for the material containing the element -Pt?", "refer_dataset": "table53", "column names": ["search", "formula"], "condition_column": ["search"], "answer_column": ["formula"], "condition": {"search": "-Pt"}, "tool": "search_value", "answer": {"formula": "Pt"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula for the material containing the element {}?"}
{"question": "Given material ID mp-1000, what is its e_hull value?", "refer_dataset": "table56", "column names": ["id", "e_hull"], "condition_column": ["id"], "answer_column": ["e_hull"], "condition": {"id": "mp-1000"}, "tool": "search_value", "answer": {"e_hull": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given material ID {}, what is its e_hull value?"}
{"question": "Identify the desorption temperature (DT) of a perovskite oxide with SSA of 1.05 m²/g and calcination temperature of 900℃.", "refer_dataset": "table11", "column names": ["SSA (m2 g -1 )", "CT (℃)", "DT (℃)"], "condition_column": ["SSA (m2 g -1 )", "CT (℃)"], "answer_column": ["DT (℃)"], "condition": {"SSA (m2 g -1 )": "1.05", "CT (℃)": "900"}, "tool": "search_value", "answer": {"DT (℃)": "120"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the desorption temperature (DT) of a perovskite oxide with SSA of {} m²/g and calcination temperature of {}℃."}
{"question": "What geometric shape (polyhedron) surrounds the lanthanide ion in compound [Pc2Dy]TBA:[Pc2Y]TBA = 1/4?", "refer_dataset": "table34", "column names": ["compound", "closest_polyhedron"], "condition_column": ["compound"], "answer_column": ["closest_polyhedron"], "condition": {"compound": "[Pc2Dy]TBA:[Pc2Y]TBA = 1/4"}, "tool": "search_value", "answer": {"closest_polyhedron": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What geometric shape (polyhedron) surrounds the lanthanide ion in compound {}?"}
{"question": "Which authors contributed to the paper titled Dohoon Choi?", "refer_dataset": "table45", "column names": ["authors", "title"], "condition_column": ["authors"], "answer_column": ["title"], "condition": {"authors": "Dohoon Choi"}, "tool": "search_value", "answer": {"title": "Distribution of integral Fourier Coefficients of a Modular Form of Half\n  Integral Weight Modulo Primes"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which authors contributed to the paper titled {}?"}
{"question": "Which research facility in Serbia contributed to this study?", "refer_dataset": "table13", "column names": ["Country", "Facility"], "condition_column": ["Country"], "answer_column": ["Facility"], "condition": {"Country": "Serbia"}, "tool": "search_value", "answer": {"Facility": "Univ Belgrade"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which research facility in {} contributed to this study?"}
{"question": "What is the M06 Scharber Voc for the entry where the M06 gap is 0.2?", "refer_dataset": "table51", "column names": ["m06_gap", "m06_scharber_voc"], "condition_column": ["m06_gap"], "answer_column": ["m06_scharber_voc"], "condition": {"m06_gap": "0.2"}, "tool": "search_value", "answer": {"m06_scharber_voc": "1.9579436645"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the M06 Scharber Voc for the entry where the M06 gap is {}?"}
{"question": "What is the enthalpy of formation at 0K (kJ/mol) for the compound with species H2OCH3OH and HOMO energy level -0.26909 eV?", "refer_dataset": "table46", "column names": ["species", "homo", "enthalpy_formation_0K"], "condition_column": ["species", "homo"], "answer_column": ["enthalpy_formation_0K"], "condition": {"species": "H2OCH3OH", "homo": "-0.26909"}, "tool": "search_value", "answer": {"enthalpy_formation_0K": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the enthalpy of formation at 0K (kJ/mol) for the compound with species {} and HOMO energy level {} eV?"}
{"question": "What is the largest cavity diameter for an MOF with maximum CO₂ adsorption capacity of 3.79473?", "refer_dataset": "table50", "column names": ["max_co2_adsp", "lcd"], "condition_column": ["max_co2_adsp"], "answer_column": ["lcd"], "condition": {"max_co2_adsp": "3.79473"}, "tool": "search_value", "answer": {"lcd": "13.75"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the largest cavity diameter for an MOF with maximum CO₂ adsorption capacity of {}?"}
{"question": "What is the Fermi energy level (efermi) of surface Surface-JVASP-1699_miller_1_1_0_thickness_16_VASP_PBE_noDP composed of ThSbRh when the SCF conduction band minimum is 7.767?", "refer_dataset": "table66", "column names": ["name", "formula", "scf_cbm", "efermi"], "condition_column": ["name", "formula", "scf_cbm"], "answer_column": ["efermi"], "condition": {"name": "Surface-JVASP-1699_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "ThSbRh", "scf_cbm": "7.767"}, "tool": "search_value", "answer": {"efermi": "2.70629021"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Fermi energy level (efermi) of surface {} composed of {} when the SCF conduction band minimum is {}?"}
{"question": "What unit is associated with a measured value of 419?", "refer_dataset": "table32", "column names": ["value", "unit"], "condition_column": ["value"], "answer_column": ["unit"], "condition": {"value": "419"}, "tool": "search_value", "answer": {"unit": "K"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What unit is associated with a measured value of {}?"}
{"question": "Find the reference number for the experiment on 1,4-Dioxane at temperature 20°C and pH 3.0.", "refer_dataset": "table9", "column names": ["OC", "T, oC", "pH", "Ref"], "condition_column": ["OC", "T, oC", "pH"], "answer_column": ["Ref"], "condition": {"OC": "1,4-Dioxane", "T, oC": "20", "pH": "3.0"}, "tool": "search_value", "answer": {"Ref": "18"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the reference number for the experiment on {} at temperature {}°C and pH {}."}
{"question": "For the compound with InChI InChI=1S/C2H8O2/c1-4(2)5-3/h3H,1-2H3, what is the LUMO energy level (eV)?", "refer_dataset": "table46", "column names": ["inchi", "lumo"], "condition_column": ["inchi"], "answer_column": ["lumo"], "condition": {"inchi": "InChI=1S/C2H8O2/c1-4(2)5-3/h3H,1-2H3"}, "tool": "search_value", "answer": {"lumo": "0.0739"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the compound with InChI {}, what is the LUMO energy level (eV)?"}
{"question": "What is the Primary dense phase material (Dense1) when the Silicon molar ratio (Si) is ICMM-8?", "refer_dataset": "table40", "column names": ["Dense1", "Si"], "condition_column": ["Dense1"], "answer_column": ["Si"], "condition": {"Dense1": "ICMM-8"}, "tool": "search_value", "answer": {"Si": "0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Primary dense phase material (Dense1) when the Silicon molar ratio (Si) is {}?"}
{"question": "Find the total magnetization for the material where the exfoliation energy per atom is 0.09579424083333343 and the bandgap is 0.9814000000000004?", "refer_dataset": "table67", "column names": ["exfoliation_energy_per_atom", "bandgap", "total_magnetization"], "condition_column": ["exfoliation_energy_per_atom", "bandgap"], "answer_column": ["total_magnetization"], "condition": {"exfoliation_energy_per_atom": "0.09579424083333343", "bandgap": "0.9814000000000004"}, "tool": "search_value", "answer": {"total_magnetization": "-0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the total magnetization for the material where the exfoliation energy per atom is {} and the bandgap is {}?"}
{"question": "What is the melting temperature of element B (B_Tm) in the material BaTi0.97Mo0.03O3?", "refer_dataset": "table3", "column names": ["Materials", "B_Tm"], "condition_column": ["Materials"], "answer_column": ["B_Tm"], "condition": {"Materials": "BaTi0.97Mo0.03O3"}, "tool": "search_value", "answer": {"B_Tm": "1698.56"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the melting temperature of element B (B_Tm) in the material {}?"}
{"question": "Provide the entry date (date) for the COD CIF file 1000028?", "refer_dataset": "table38", "column names": ["file", "date"], "condition_column": ["file"], "answer_column": ["date"], "condition": {"file": "1000028"}, "tool": "search_value", "answer": {"date": "2020/10/21"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the entry date (date) for the COD CIF file {}?"}
{"question": "Find the current density at 0.63 V (secondCA) for a material with In set to 0.7 and Fe set to 0.3.", "refer_dataset": "table16", "column names": ["In", "Fe", "J.uAcm2_0.63_secondCA"], "condition_column": ["In", "Fe"], "answer_column": ["J.uAcm2_0.63_secondCA"], "condition": {"In": "0.7", "Fe": "0.3"}, "tool": "search_value", "answer": {"J.uAcm2_0.63_secondCA": "334.2401"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the current density at 0.63 V (secondCA) for a material with In set to {} and Fe set to {}."}
{"question": "Given a conduction band minimum (CBM) of 5.4775, what is the total energy after optimization?", "refer_dataset": "table52", "column names": ["optb88vdw_cbm", "final_energy"], "condition_column": ["optb88vdw_cbm"], "answer_column": ["final_energy"], "condition": {"optb88vdw_cbm": "5.4775"}, "tool": "search_value", "answer": {"final_energy": "-155.44689227"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a conduction band minimum (CBM) of {}, what is the total energy after optimization?"}
{"question": "Determine the journal impact factor for an article published by the institution Univ Bradford in England country.", "refer_dataset": "table13", "column names": ["Facility", "Country", "IF"], "condition_column": ["Facility", "Country"], "answer_column": ["IF"], "condition": {"Facility": "Univ Bradford", "Country": "England"}, "tool": "search_value", "answer": {"IF": "19.069"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the journal impact factor for an article published by the institution {} in {} country."}
{"question": "What is the formation energy per atom for the Mg-F compound with job ID JQE-208?", "refer_dataset": "table59", "column names": ["jid", "f_enp"], "condition_column": ["jid"], "answer_column": ["f_enp"], "condition": {"jid": "JQE-208"}, "tool": "search_value", "answer": {"f_enp": "-3.0107"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy per atom for the Mg-F compound with job ID {}?"}
{"question": "What is the chemical family classification for the compound with the formula [Pc2Ho]TBA?", "refer_dataset": "table34", "column names": ["compound", "chemical_family"], "condition_column": ["compound"], "answer_column": ["chemical_family"], "condition": {"compound": "[Pc2Ho]TBA"}, "tool": "search_value", "answer": {"chemical_family": "LnPc2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical family classification for the compound with the formula {}?"}
{"question": "Determine the cycle4 performance for the perovskite referenced as [A111] with secondary A site La and primary B site Ta.", "refer_dataset": "table5", "column names": ["Ref", "A2 site", "B site", "cycle4"], "condition_column": ["Ref", "A2 site", "B site"], "answer_column": ["cycle4"], "condition": {"Ref": "[A111]", "A2 site": "La", "B site": "Ta"}, "tool": "search_value", "answer": {"cycle4": "-"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the cycle4 performance for the perovskite referenced as {} with secondary A site {} and primary B site {}."}
{"question": "What is the cycle1 measurement for perovskites with primary A site Sr, secondary B2 site Nb, and cycle duration of 13.0 hours?", "refer_dataset": "table5", "column names": ["A site", "B2 site", "Duration of cycles (h)", "cycle1"], "condition_column": ["A site", "B2 site", "Duration of cycles (h)"], "answer_column": ["cycle1"], "condition": {"A site": "Sr", "B2 site": "Nb", "Duration of cycles (h)": "13.0"}, "tool": "search_value", "answer": {"cycle1": "0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the cycle1 measurement for perovskites with primary A site {}, secondary B2 site {}, and cycle duration of {} hours?"}
{"question": "What is the mean number of bonds (num_bonds_mean_0) associated with SMILES C(CCC[N+]12CCN(CC1)CC2)CCC[N+]12CCN(CC1)CC2?", "refer_dataset": "table41", "column names": ["osda smiles", "num_bonds_mean_0"], "condition_column": ["osda smiles"], "answer_column": ["num_bonds_mean_0"], "condition": {"osda smiles": "C(CCC[N+]12CCN(CC1)CC2)CCC[N+]12CCN(CC1)CC2"}, "tool": "search_value", "answer": {"num_bonds_mean_0": "26"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the mean number of bonds (num_bonds_mean_0) associated with SMILES {}?"}
{"question": "What chemical environment (1=electrolyte, 2=pressure) is used for a 0.0 co-catalyst at pH 7.0 with N-doped carbon material?", "refer_dataset": "table12", "column names": ["Co catalyst", "pH", "Material", "Chemical Environment 1=electrolyte 2=pressure"], "condition_column": ["Co catalyst", "pH", "Material"], "answer_column": ["Chemical Environment 1=electrolyte 2=pressure"], "condition": {"Co catalyst": "0.0", "pH": "7.0", "Material": "N-doped carbon"}, "tool": "search_value", "answer": {"Chemical Environment 1=electrolyte 2=pressure": "1.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What chemical environment (1=electrolyte, 2=pressure) is used for a {} co-catalyst at pH {} with {} material?"}
{"question": "Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of -11.24600315093994 and heat capacity (Cv) of 6.315999984741211.", "refer_dataset": "table60", "column names": ["G", "Cv", "zpve"], "condition_column": ["G", "Cv"], "answer_column": ["zpve"], "condition": {"G": "-11.24600315093994", "Cv": "6.315999984741211"}, "tool": "search_value", "answer": {"zpve": "0.9349287748336792"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of {} and heat capacity (Cv) of {}."}
{"question": "At what calcination temperature (CT) was the perovskite oxide LaMg0.2Cr0.8O3 synthesized?", "refer_dataset": "table11", "column names": ["Molecular formulas", "CT (℃)"], "condition_column": ["Molecular formulas"], "answer_column": ["CT (℃)"], "condition": {"Molecular formulas": "LaMg0.2Cr0.8O3"}, "tool": "search_value", "answer": {"CT (℃)": "600"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what calcination temperature (CT) was the perovskite oxide {} synthesized?"}
{"question": "What is the nanostructuring status (0=no, 1=yes) of a OD-Cu catalyst published in 2012.0 with Coulombic efficiency above 45.0%?", "refer_dataset": "table12", "column names": ["Catalyst label", "Year", "C.E. %", "Nanostructuring"], "condition_column": ["Catalyst label", "Year", "C.E. %"], "answer_column": ["Nanostructuring"], "condition": {"Catalyst label": "OD-Cu", "Year": "2012.0", "C.E. %": "45.0"}, "tool": "search_value", "answer": {"Nanostructuring": "1.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the nanostructuring status (0=no, 1=yes) of a {} catalyst published in {} with Coulombic efficiency above {}%?"}
{"question": "What illumination time (min) is required for material MIL-101 at pH 4.1 to reach 25.0% degradation efficiency?", "refer_dataset": "table6", "column names": ["Material", "pH", "Degradation efficiency (%)", "Illumination time (min)"], "condition_column": ["Material", "pH", "Degradation efficiency (%)"], "answer_column": ["Illumination time (min)"], "condition": {"Material": "MIL-101", "pH": "4.1", "Degradation efficiency (%)": "25.0"}, "tool": "search_value", "answer": {"Illumination time (min)": "0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What illumination time (min) is required for material {} at pH {} to reach {}% degradation efficiency?"}
{"question": "Identify the Reaction energy (ReactionE) for a Composition of BeNe and Base Be.", "refer_dataset": "table24", "column names": ["Composition", "Base", "ReactionE"], "condition_column": ["Composition", "Base"], "answer_column": ["ReactionE"], "condition": {"Composition": "BeNe", "Base": "Be"}, "tool": "search_value", "answer": {"ReactionE": "0.1354608824"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the Reaction energy (ReactionE) for a Composition of {} and Base {}."}
{"question": "Retrieve the chemical composition formula for the material with ID 14511 and a recorded Tc of 55.0.", "refer_dataset": "table65", "column names": ["id", "Tc", "formula"], "condition_column": ["id", "Tc"], "answer_column": ["formula"], "condition": {"id": "14511", "Tc": "55.0"}, "tool": "search_value", "answer": {"formula": "Pb0.5Ca1Sr2Y0.5Cu2O6.97"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the chemical composition formula for the material with ID {} and a recorded Tc of {}."}
{"question": "What is the primary material of the catalyst labeled Au nanoporous?", "refer_dataset": "table12", "column names": ["Catalyst label", "Material"], "condition_column": ["Catalyst label"], "answer_column": ["Material"], "condition": {"Catalyst label": "Au nanoporous"}, "tool": "search_value", "answer": {"Material": "Ag"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the primary material of the catalyst labeled {}?"}
{"question": "What is the chemical formula of the compound with job ID JQE-6?", "refer_dataset": "table59", "column names": ["jid", "formula"], "condition_column": ["jid"], "answer_column": ["formula"], "condition": {"jid": "JQE-6"}, "tool": "search_value", "answer": {"formula": "Li"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula of the compound with job ID {}?"}
{"question": "Report the PBE bandgap for a material with mu_b 5.6e-06 and ID mp-10004:", "refer_dataset": "table56", "column names": ["mu_b", "id", "gap pbe"], "condition_column": ["mu_b", "id"], "answer_column": ["gap pbe"], "condition": {"mu_b": "5.6e-06", "id": "mp-10004"}, "tool": "search_value", "answer": {"gap pbe": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the PBE bandgap for a material with mu_b {} and ID {}:"}
{"question": "What is the bulk energy value for the material with job identifier JVASP-987?", "refer_dataset": "table68", "column names": ["jid", "bulk_energy"], "condition_column": ["jid"], "answer_column": ["bulk_energy"], "condition": {"jid": "JVASP-987"}, "tool": "search_value", "answer": {"bulk_energy": "-215.68428"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk energy value for the material with job identifier {}?"}
{"question": "Given a valence band maximum (VBM) of 6.4261 and a band alignment offset of 0.8230729226123605, determine the total optimized energy.", "refer_dataset": "table52", "column names": ["optb88vdw_vbm", "offset", "final_energy"], "condition_column": ["optb88vdw_vbm", "offset"], "answer_column": ["final_energy"], "condition": {"optb88vdw_vbm": "6.4261", "offset": "0.8230729226123605"}, "tool": "search_value", "answer": {"final_energy": "-201.02516344"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a valence band maximum (VBM) of {} and a band alignment offset of {}, determine the total optimized energy."}
{"question": "Which solvent type is paired with a surfactant percentage of 0.195 wt.%?", "refer_dataset": "table42", "column names": ["Surfactant, % wt.", "Solvent type"], "condition_column": ["Surfactant, % wt."], "answer_column": ["Solvent type"], "condition": {"Surfactant, % wt.": "0.195"}, "tool": "search_value", "answer": {"Solvent type": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which solvent type is paired with a surfactant percentage of {} wt.%?"}
{"question": "At what calcination temperature (CT) was the perovskite oxide ZnTiO3 synthesized?", "refer_dataset": "table11", "column names": ["Molecular formulas", "CT (℃)"], "condition_column": ["Molecular formulas"], "answer_column": ["CT (℃)"], "condition": {"Molecular formulas": "ZnTiO3"}, "tool": "search_value", "answer": {"CT (℃)": "900"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what calcination temperature (CT) was the perovskite oxide {} synthesized?"}
{"question": "What unit is associated with a measured value of 285?", "refer_dataset": "table32", "column names": ["value", "unit"], "condition_column": ["value"], "answer_column": ["unit"], "condition": {"value": "285"}, "tool": "search_value", "answer": {"unit": "mT"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What unit is associated with a measured value of {}?"}
{"question": "With Ag dopant and 75.0 catalyst/pollutant ratio, what is the required Illumination time(min)?", "refer_dataset": "table8", "column names": ["Dopant", "Catalyst/Pollutant mass ratio", "Illumination time(min)"], "condition_column": ["Dopant", "Catalyst/Pollutant mass ratio"], "answer_column": ["Illumination time(min)"], "condition": {"Dopant": "Ag", "Catalyst/Pollutant mass ratio": "75.0"}, "tool": "search_value", "answer": {"Illumination time(min)": "180"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "With {} dopant and {} catalyst/pollutant ratio, what is the required Illumination time(min)?"}
{"question": "Determine the boiling temperature of component A (A_Tb) if the melting temperatures of A (A_Tm) and B (B_Tm) are 918.0 and 1557.8, respectively, with a radius ratio (Ra/Rb) of 1.817.", "refer_dataset": "table2", "column names": ["A_Tm", "B_Tm", "Ra/Rb", "A_Tb"], "condition_column": ["A_Tm", "B_Tm", "Ra/Rb"], "answer_column": ["A_Tb"], "condition": {"A_Tm": "918.0", "B_Tm": "1557.8", "Ra/Rb": "1.817"}, "tool": "search_value", "answer": {"A_Tb": "3464.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the boiling temperature of component A (A_Tb) if the melting temperatures of A (A_Tm) and B (B_Tm) are {} and {}, respectively, with a radius ratio (Ra/Rb) of {}."}
{"question": "Identify the support material used with primary metal Li, secondary metal Mg, and a conversion yield of 10.8%?", "refer_dataset": "table28", "column names": ["M1", "M2", "C2y", "Support"], "condition_column": ["M1", "M2", "C2y"], "answer_column": ["Support"], "condition": {"M1": "Li", "M2": "Mg", "C2y": "10.8"}, "tool": "search_value", "answer": {"Support": "Si"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the support material used with primary metal {}, secondary metal {}, and a conversion yield of {}%?"}
{"question": "Find the LUMO energy level (eV) of the compound with HOMO energy level -0.28146 eV and species H2OHCOOH.", "refer_dataset": "table46", "column names": ["homo", "species", "lumo"], "condition_column": ["homo", "species"], "answer_column": ["lumo"], "condition": {"homo": "-0.28146", "species": "H2OHCOOH"}, "tool": "search_value", "answer": {"lumo": "-0.0116"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the LUMO energy level (eV) of the compound with HOMO energy level {} eV and species {}."}
{"question": "Determine the void fraction of the MOF with pore limiting diameter 0.25 Å.", "refer_dataset": "table50", "column names": ["pld", "void_fraction"], "condition_column": ["pld"], "answer_column": ["void_fraction"], "condition": {"pld": "0.25"}, "tool": "search_value", "answer": {"void_fraction": "7.07e-09"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the void fraction of the MOF with pore limiting diameter {} Å."}
{"question": "At what pH does material MIL-101 achieve 50.0% degradation efficiency with illumination time 10 minutes?", "refer_dataset": "table6", "column names": ["Material", "Degradation efficiency (%)", "Illumination time (min)", "pH"], "condition_column": ["Material", "Degradation efficiency (%)", "Illumination time (min)"], "answer_column": ["pH"], "condition": {"Material": "MIL-101", "Degradation efficiency (%)": "50.0", "Illumination time (min)": "10"}, "tool": "search_value", "answer": {"pH": "4.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what pH does material {} achieve {}% degradation efficiency with illumination time {} minutes?"}
{"question": "What is the BET surface area (m²/g) of the catalyst titled \"6%NiPt(99:1)/Al2O3Active\"؟", "refer_dataset": "table29", "column names": ["title", "SBET(m2/g)"], "condition_column": ["title"], "answer_column": ["SBET(m2/g)"], "condition": {"title": "6%NiPt(99:1)/Al2O3Active"}, "tool": "search_value", "answer": {"SBET(m2/g)": "nodata"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the BET surface area (m²/g) of the catalyst titled \"{}\"؟"}
{"question": "Identify the OER warning flag status for the article from South Korea (Country) with an alkaline overpotential of 99.8.", "refer_dataset": "table13", "column names": ["Country", "Alkaline_OVP", "Warning_OER.1"], "condition_column": ["Country", "Alkaline_OVP"], "answer_column": ["Warning_OER.1"], "condition": {"Country": "South Korea", "Alkaline_OVP": "99.8"}, "tool": "search_value", "answer": {"Warning_OER.1": "0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the OER warning flag status for the article from {} (Country) with an alkaline overpotential of {}."}
{"question": "At what process temperature (°C) does a catalyst with M1 as Li, support material Al, and methane partial pressure (Pch4) of 0.6 yield the highest conversion?", "refer_dataset": "table28", "column names": ["M1", "Support", "Pch4", "Temperature"], "condition_column": ["M1", "Support", "Pch4"], "answer_column": ["Temperature"], "condition": {"M1": "Li", "Support": "Al", "Pch4": "0.6"}, "tool": "search_value", "answer": {"Temperature": "671"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what process temperature (°C) does a catalyst with M1 as {}, support material {}, and methane partial pressure (Pch4) of {} yield the highest conversion?"}
{"question": "What is the electron affinity of element B (EAb) when its first ionization energy (I1b) is 6.833?", "refer_dataset": "table2", "column names": ["I1b", "EAb"], "condition_column": ["I1b"], "answer_column": ["EAb"], "condition": {"I1b": "6.833"}, "tool": "search_value", "answer": {"EAb": "8.89"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electron affinity of element B (EAb) when its first ionization energy (I1b) is {}?"}
{"question": "For material Perov-9, what is the HSE mixing energy?", "refer_dataset": "table49", "column names": ["id", "HSE_mix_energy"], "condition_column": ["id"], "answer_column": ["HSE_mix_energy"], "condition": {"id": "Perov-9"}, "tool": "search_value", "answer": {"HSE_mix_energy": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For material {}, what is the HSE mixing energy?"}
{"question": "Identify the minimum CO₂ adsorption capacity for an MOF with largest cavity diameter 17.25 Å, pore limiting diameter 15.25 Å, and pressure [0.01, 0.05, 0.1, 0.5, 2.5] bar.", "refer_dataset": "table50", "column names": ["lcd", "pld", "co2_pressures", "min_co2_adsp"], "condition_column": ["lcd", "pld", "co2_pressures"], "answer_column": ["min_co2_adsp"], "condition": {"lcd": "17.25", "pld": "15.25", "co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "tool": "search_value", "answer": {"min_co2_adsp": "0.0147283999999999"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the minimum CO₂ adsorption capacity for an MOF with largest cavity diameter {} Å, pore limiting diameter {} Å, and pressure {} bar."}
{"question": "For the perovskite compound SrIn0.5Nb0.5O3, what is the cycle5 performance when the primary A site is Sr and the primary B site is In?", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "A site", "B site", "cycle5"], "condition_column": ["Full Name of Perovskite", "A site", "B site"], "answer_column": ["cycle5"], "condition": {"Full Name of Perovskite": "SrIn0.5Nb0.5O3", "A site": "Sr", "B site": "In"}, "tool": "search_value", "answer": {"cycle5": "-"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the perovskite compound {}, what is the cycle5 performance when the primary A site is {} and the primary B site is {}?"}
{"question": "What is the partial pressure of methane (Pch4) at an oxygen partial pressure (Po2) of 0.26?", "refer_dataset": "table28", "column names": ["Pch4", "Po2"], "condition_column": ["Pch4"], "answer_column": ["Po2"], "condition": {"Pch4": "0.26"}, "tool": "search_value", "answer": {"Po2": "0.05"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the partial pressure of methane (Pch4) at an oxygen partial pressure (Po2) of {}?"}
{"question": "What is the molecular weight of the OSDA molecule with SMILES notation BrCCCCBr?", "refer_dataset": "table41", "column names": ["osda smiles", "mol_weight"], "condition_column": ["osda smiles"], "answer_column": ["mol_weight"], "condition": {"osda smiles": "BrCCCCBr"}, "tool": "search_value", "answer": {"mol_weight": "215.916"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the molecular weight of the OSDA molecule with SMILES notation {}?"}
{"question": "What Bohr magnetons per formula unit (µ_B/f.u.) are reported for sentence number 140?", "refer_dataset": "table32", "column names": ["sentence", "µ_B/f.u."], "condition_column": ["sentence"], "answer_column": ["µ_B/f.u."], "condition": {"sentence": "140"}, "tool": "search_value", "answer": {"µ_B/f.u.": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What Bohr magnetons per formula unit (µ_B/f.u.) are reported for sentence number {}?"}
{"question": "Retrieve the formula_energy of the compound with ID 1759 and formula PbTe.", "refer_dataset": "table64", "column names": ["id", "formula", "formula_energy"], "condition_column": ["id", "formula"], "answer_column": ["formula_energy"], "condition": {"id": "1759", "formula": "PbTe"}, "tool": "search_value", "answer": {"formula_energy": "-0.355585666576"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the formula_energy of the compound with ID {} and formula {}."}
{"question": "Which parsed authors correspond to papers in hep-ex category published in Phys.Rev.D76:052005,2007 journal?", "refer_dataset": "table45", "column names": ["categories", "journal-ref", "authors_parsed"], "condition_column": ["categories", "journal-ref"], "answer_column": ["authors_parsed"], "condition": {"categories": "hep-ex", "journal-ref": "Phys.Rev.D76:052005,2007"}, "tool": "search_value", "answer": {"authors_parsed": "[['The BABAR Collaboration', '', ''], ['Aubert', 'B.', '']]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which parsed authors correspond to papers in {} category published in {} journal?"}
{"question": "Determine the ID for the material whose formula is La1.85Ca0.989Sr0.161Cu2O5.93.", "refer_dataset": "table65", "column names": ["formula", "id"], "condition_column": ["formula"], "answer_column": ["id"], "condition": {"formula": "La1.85Ca0.989Sr0.161Cu2O5.93"}, "tool": "search_value", "answer": {"id": "4837"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the ID for the material whose formula is {}."}
{"question": "Retrieve the internal energy (U) of a material where the zero-point vibrational energy is 2.028391122817993 and enthalpy is -29.481576919555664.", "refer_dataset": "table60", "column names": ["zpve", "H", "U"], "condition_column": ["zpve", "H"], "answer_column": ["U"], "condition": {"zpve": "2.028391122817993", "H": "-29.481576919555664"}, "tool": "search_value", "answer": {"U": "-29.30160140991211"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the internal energy (U) of a material where the zero-point vibrational energy is {} and enthalpy is {}."}
{"question": "Which primary metal (M1) is used with the support material Ag?", "refer_dataset": "table28", "column names": ["Support", "M1"], "condition_column": ["Support"], "answer_column": ["M1"], "condition": {"Support": "Ag"}, "tool": "search_value", "answer": {"M1": "none"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which primary metal (M1) is used with the support material {}?"}
{"question": "How many atoms are present in the Mg-F compound with the job identifier JQE-10?", "refer_dataset": "table59", "column names": ["jid", "natoms"], "condition_column": ["jid"], "answer_column": ["natoms"], "condition": {"jid": "JQE-10"}, "tool": "search_value", "answer": {"natoms": "4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many atoms are present in the Mg-F compound with the job identifier {}?"}
{"question": "What is the formation energy per atom for the material mp-1179088 (Materials Project ID)?", "refer_dataset": "table55", "column names": ["material_id", "formation_energy_per_atom"], "condition_column": ["material_id"], "answer_column": ["formation_energy_per_atom"], "condition": {"material_id": "mp-1179088"}, "tool": "search_value", "answer": {"formation_energy_per_atom": "-0.0186775009375006"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy per atom for the material {} (Materials Project ID)?"}
{"question": "Which reference tested organic compound 1,4-Dioxane under both light intensity 1.4 mW/cm² and dose 0.5 g/L?", "refer_dataset": "table9", "column names": ["OC", "I, mW/cm2", "D, g/L", "Ref"], "condition_column": ["OC", "I, mW/cm2", "D, g/L"], "answer_column": ["Ref"], "condition": {"OC": "1,4-Dioxane", "I, mW/cm2": "1.4", "D, g/L": "0.5"}, "tool": "search_value", "answer": {"Ref": "18"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which reference tested organic compound {} under both light intensity {} mW/cm² and dose {} g/L?"}
{"question": "Which country's institution is associated with the article having DOI 10.1002/cctc.202001343?", "refer_dataset": "table13", "column names": ["DOI", "Country"], "condition_column": ["DOI"], "answer_column": ["Country"], "condition": {"DOI": "10.1002/cctc.202001343"}, "tool": "search_value", "answer": {"Country": "Peoples R China"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which country's institution is associated with the article having DOI {}?"}
{"question": "For ICSD_number 10017, what lattice-derived space group correlates with the 189 eV GGA optical band gap?", "refer_dataset": "table63", "column names": ["ICSD_number", "Space_group_rlx", "Band_gap_GGA_optical"], "condition_column": ["ICSD_number", "Space_group_rlx"], "answer_column": ["Band_gap_GGA_optical"], "condition": {"ICSD_number": "10017", "Space_group_rlx": "189"}, "tool": "search_value", "answer": {"Band_gap_GGA_optical": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For ICSD_number {}, what lattice-derived space group correlates with the {} eV GGA optical band gap?"}
{"question": "Which database entry corresponds to a material with a band gap of 0.915?", "refer_dataset": "table57", "column names": ["_oqmd_band_gap", "_oqmd_entry_id"], "condition_column": ["_oqmd_band_gap"], "answer_column": ["_oqmd_entry_id"], "condition": {"_oqmd_band_gap": "0.915"}, "tool": "search_value", "answer": {"_oqmd_entry_id": "326579.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which database entry corresponds to a material with a band gap of {}?"}
{"question": "What desorption temperature (DT) is associated with the molecular formula LaMg0.4Cr0.6O3 aged for 5 hours?", "refer_dataset": "table11", "column names": ["Molecular formulas", "AH (h)", "DT (℃)"], "condition_column": ["Molecular formulas", "AH (h)"], "answer_column": ["DT (℃)"], "condition": {"Molecular formulas": "LaMg0.4Cr0.6O3", "AH (h)": "5"}, "tool": "search_value", "answer": {"DT (℃)": "100"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What desorption temperature (DT) is associated with the molecular formula {} aged for {} hours?"}
{"question": "What is the Cobalt content (%) when the Nickel content is 84.0%?", "refer_dataset": "table39", "column names": ["Co", "Ni"], "condition_column": ["Co"], "answer_column": ["Ni"], "condition": {"Co": "84.0"}, "tool": "search_value", "answer": {"Ni": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Cobalt content (%) when the Nickel content is {}%?"}
{"question": "What is the melting temperature of component B (B_Tm) when element B’s density (ρb) is 4.68, boiling temperature (B_Tb) is 3327.56, and electron affinity (EAb) is 9.53?", "refer_dataset": "table2", "column names": ["ρb", "B_Tb", "EAb", "B_Tm"], "condition_column": ["ρb", "B_Tb", "EAb"], "answer_column": ["B_Tm"], "condition": {"ρb": "4.68", "B_Tb": "3327.56", "EAb": "9.53"}, "tool": "search_value", "answer": {"B_Tm": "1698.56"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the melting temperature of component B (B_Tm) when element B’s density (ρb) is {}, boiling temperature (B_Tb) is {}, and electron affinity (EAb) is {}?"}
{"question": "What perovskite has a value of -0.00476 in feature 17 and a similarity score of 0.318801?", "refer_dataset": "table14", "column names": ["17", "similarity", "Perovskite"], "condition_column": ["17", "similarity"], "answer_column": ["Perovskite"], "condition": {"17": "-0.00476", "similarity": "0.318801"}, "tool": "search_value", "answer": {"Perovskite": "LaCoO3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What perovskite has a value of {} in feature 17 and a similarity score of {}?"}
{"question": "What is the HSE-calculated bandgap for the material with a PBE lattice constant of 5.93 Å and a tolerance factor of 1.032?", "refer_dataset": "table49", "column names": ["PBE_latt_const", "Tol", "HSE_gap"], "condition_column": ["PBE_latt_const", "Tol"], "answer_column": ["HSE_gap"], "condition": {"PBE_latt_const": "5.93", "Tol": "1.032"}, "tool": "search_value", "answer": {"HSE_gap": "3.32"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HSE-calculated bandgap for the material with a PBE lattice constant of {} Å and a tolerance factor of {}?"}
{"question": "What is the Fermi energy level (efermi) of surface Surface-JVASP-1750_miller_1_1_0_thickness_16_VASP_PBE_noDP composed of ErSbPd when the SCF conduction band minimum is 6.88?", "refer_dataset": "table66", "column names": ["name", "formula", "scf_cbm", "efermi"], "condition_column": ["name", "formula", "scf_cbm"], "answer_column": ["efermi"], "condition": {"name": "Surface-JVASP-1750_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "ErSbPd", "scf_cbm": "6.88"}, "tool": "search_value", "answer": {"efermi": "1.88141586"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Fermi energy level (efermi) of surface {} composed of {} when the SCF conduction band minimum is {}?"}
{"question": "Determine the OptB88vdW-derived bandgap of the material with formula TiBr3?", "refer_dataset": "table48", "column names": ["formula", "optb88vdw_bandgap"], "condition_column": ["formula"], "answer_column": ["optb88vdw_bandgap"], "condition": {"formula": "TiBr3"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the OptB88vdW-derived bandgap of the material with formula {}?"}
{"question": "How many hours of aging (AH) are recorded for the perovskite oxide composition ZnTiO3?", "refer_dataset": "table11", "column names": ["Molecular formulas", "AH (h)"], "condition_column": ["Molecular formulas"], "answer_column": ["AH (h)"], "condition": {"Molecular formulas": "ZnTiO3"}, "tool": "search_value", "answer": {"AH (h)": "2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many hours of aging (AH) are recorded for the perovskite oxide composition {}?"}
{"question": "What B3LYP Scharber Jsc corresponds to an entry where B3LYP gap is 0.087 and id is 4?", "refer_dataset": "table51", "column names": ["b3lyp_gap", "id", "b3lyp_scharber_jsc"], "condition_column": ["b3lyp_gap", "id"], "answer_column": ["b3lyp_scharber_jsc"], "condition": {"b3lyp_gap": "0.087", "id": "4"}, "tool": "search_value", "answer": {"b3lyp_scharber_jsc": "51.7516465031"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What B3LYP Scharber Jsc corresponds to an entry where B3LYP gap is {} and id is {}?"}
{"question": "Identify the SCF conduction band minimum for the surface structure identifier Surface-JVASP-15348_miller_1_1_0_thickness_16_VASP_PBE_noDP.", "refer_dataset": "table66", "column names": ["name", "scf_cbm"], "condition_column": ["name"], "answer_column": ["scf_cbm"], "condition": {"name": "Surface-JVASP-15348_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"scf_cbm": "7.286"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the SCF conduction band minimum for the surface structure identifier {}."}
{"question": "Identify the C2 hydrocarbon selectivity (C2s) for a catalyst with a secondary metal (M2) of Na, tertiary metal (M3) of W, and CO selectivity (COs) of 84.95.", "refer_dataset": "table17", "column names": ["M2", "M3", "COs", "C2s"], "condition_column": ["M2", "M3", "COs"], "answer_column": ["C2s"], "condition": {"M2": "Na", "M3": "W", "COs": "84.95"}, "tool": "search_value", "answer": {"C2s": "16.15"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the C2 hydrocarbon selectivity (C2s) for a catalyst with a secondary metal (M2) of {}, tertiary metal (M3) of {}, and CO selectivity (COs) of {}."}
{"question": "What is the formation energy value associated with the unique job identifier JVASP-25213?", "refer_dataset": "table68", "column names": ["jid", "ef"], "condition_column": ["jid"], "answer_column": ["ef"], "condition": {"jid": "JVASP-25213"}, "tool": "search_value", "answer": {"ef": "0.27474"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy value associated with the unique job identifier {}?"}
{"question": "How many elements are present in the compound with the formula Gd1Pt2?", "refer_dataset": "table31", "column names": ["0", "3"], "condition_column": ["0"], "answer_column": ["3"], "condition": {"0": "Gd1Pt2"}, "tool": "search_value", "answer": {"3": "2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many elements are present in the compound with the formula {}?"}
{"question": "Report the tertiary B site element for the compound Ba2Gd6Fe8O24.", "refer_dataset": "table35", "column names": ["Material Composition", "B site #3"], "condition_column": ["Material Composition"], "answer_column": ["B site #3"], "condition": {"Material Composition": "Ba2Gd6Fe8O24"}, "tool": "search_value", "answer": {"B site #3": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the tertiary B site element for the compound {}."}
{"question": "What is the Tc of the superconducting material identified by 1721 and formula Nb1Re3?", "refer_dataset": "table65", "column names": ["id", "formula", "Tc"], "condition_column": ["id", "formula"], "answer_column": ["Tc"], "condition": {"id": "1721", "formula": "Nb1Re3"}, "tool": "search_value", "answer": {"Tc": "5.27"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Tc of the superconducting material identified by {} and formula {}?"}
{"question": "What Water content (H2O) corresponds to a Hydroxide ion concentration (OH) of 84.375?", "refer_dataset": "table40", "column names": ["H2O", "OH"], "condition_column": ["H2O"], "answer_column": ["OH"], "condition": {"H2O": "84.375"}, "tool": "search_value", "answer": {"OH": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What Water content (H2O) corresponds to a Hydroxide ion concentration (OH) of {}?"}
{"question": "What is the nanoparticle dose (g/L) applied for 1,4-Dioxane under pH 9.0?", "refer_dataset": "table9", "column names": ["OC", "pH", "D, g/L"], "condition_column": ["OC", "pH"], "answer_column": ["D, g/L"], "condition": {"OC": "1,4-Dioxane", "pH": "9.0"}, "tool": "search_value", "answer": {"D, g/L": "0.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the nanoparticle dose (g/L) applied for {} under pH {}?"}
{"question": "What job ID investigates shear modulus (Voigt) values for the element -Cd-Se-Zn?", "refer_dataset": "table53", "column names": ["search", "jid"], "condition_column": ["search"], "answer_column": ["jid"], "condition": {"search": "-Cd-Se-Zn"}, "tool": "search_value", "answer": {"jid": "JLMP-2819"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What job ID investigates shear modulus (Voigt) values for the element {}?"}
{"question": "What is the elastic anisotropy value for the material identified as Hf2S by formula?", "refer_dataset": "table56", "column names": ["formula", "elastic anisotropy"], "condition_column": ["formula"], "answer_column": ["elastic anisotropy"], "condition": {"formula": "Hf2S"}, "tool": "search_value", "answer": {"elastic anisotropy": "0.353098671453079"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the elastic anisotropy value for the material identified as {} by formula?"}
{"question": "For a system with a final energy of -207.57252903 and bandgap of -0.6938999999999993, what is the valence band maximum (VBM) via OptB88-vdW?", "refer_dataset": "table52", "column names": ["final_energy", "optb88vdw_bandgap", "optb88vdw_vbm"], "condition_column": ["final_energy", "optb88vdw_bandgap"], "answer_column": ["optb88vdw_vbm"], "condition": {"final_energy": "-207.57252903", "optb88vdw_bandgap": "-0.6938999999999993"}, "tool": "search_value", "answer": {"optb88vdw_vbm": "6.1195"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a system with a final energy of {} and bandgap of {}, what is the valence band maximum (VBM) via OptB88-vdW?"}
{"question": "What bicarbonate (HCO3) ion concentration results from Ca ion 49 mM, solvent type Dimethylformamide, and synthesis time 44 min 50 sec?", "refer_dataset": "table42", "column names": ["Ca ion, mM", "Solvent type", "Synthesis time", "HCO3 ion, mM"], "condition_column": ["Ca ion, mM", "Solvent type", "Synthesis time"], "answer_column": ["HCO3 ion, mM"], "condition": {"Ca ion, mM": "49", "Solvent type": "Dimethylformamide", "Synthesis time": "44 min 50 sec"}, "tool": "search_value", "answer": {"HCO3 ion, mM": "243"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What bicarbonate (HCO3) ion concentration results from Ca ion {} mM, solvent type {}, and synthesis time {}?"}
{"question": "What is the total ab initio energy per atom for the material with Bader net charges of [-0.3077, -0.264, -0.3068, -0.3895, -0.3439, -0.3457, 1.2213, 1.2216, 1.375, -0.1579, -0.1699, -0.1695, -0.1538, -0.1684, -0.1568, -0.3968, -0.2935, -0.1938]?", "refer_dataset": "table43", "column names": ["bader_net_charges", "energy_atom"], "condition_column": ["bader_net_charges"], "answer_column": ["energy_atom"], "condition": {"bader_net_charges": "[-0.3077, -0.264, -0.3068, -0.3895, -0.3439, -0.3457, 1.2213, 1.2216, 1.375, -0.1579, -0.1699, -0.1695, -0.1538, -0.1684, -0.1568, -0.3968, -0.2935, -0.1938]"}, "tool": "search_value", "answer": {"energy_atom": "-4.25749"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total ab initio energy per atom for the material with Bader net charges of {}?"}
{"question": "Determine the electronic polarizability (alpha) for a sample identified by 8 with a HOMO-LUMO gap of 1.94216821965969.", "refer_dataset": "table61", "column names": ["id", "gap", "alpha"], "condition_column": ["id", "gap"], "answer_column": ["alpha"], "condition": {"id": "8", "gap": "1.94216821965969"}, "tool": "search_value", "answer": {"alpha": "-7.13461980636636"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the electronic polarizability (alpha) for a sample identified by {} with a HOMO-LUMO gap of {}."}
{"question": "What tertiary metal (M3) is used when the secondary metal (M2) is Cr?", "refer_dataset": "table28", "column names": ["M2", "M3"], "condition_column": ["M2"], "answer_column": ["M3"], "condition": {"M2": "Cr"}, "tool": "search_value", "answer": {"M3": "none"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What tertiary metal (M3) is used when the secondary metal (M2) is {}?"}
{"question": "Identify the ITQ zeolite presence (ITQ) for parameters: HF quantity (HF) no, Water content (H2O) 0.312, and Secondary dense phase material (Dense2) 10.0.", "refer_dataset": "table40", "column names": ["ITQ", "HF", "H2O", "Dense2"], "condition_column": ["ITQ", "HF", "H2O"], "answer_column": ["Dense2"], "condition": {"ITQ": "no", "HF": "0.312", "H2O": "10.0"}, "tool": "search_value", "answer": {"Dense2": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the ITQ zeolite presence (ITQ) for parameters: HF quantity (HF) {}, Water content (H2O) {}, and Secondary dense phase material (Dense2) {}."}
{"question": "Find the ionic radius (Å) for the element with atomic number 0.5.", "refer_dataset": "table36", "column names": ["Atomic Radius (Å)", "Ionic Radius (angstroms)"], "condition_column": ["Atomic Radius (Å)"], "answer_column": ["Ionic Radius (angstroms)"], "condition": {"Atomic Radius (Å)": "0.5"}, "tool": "search_value", "answer": {"Ionic Radius (angstroms)": " "}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the ionic radius (Å) for the element with atomic number {}."}
{"question": "Provide the GGA band gap energy (gga_gap) for the material labeled 3.7017 with a unit cell volume of Cd-based_polymer cubic angstroms.", "refer_dataset": "table58", "column names": ["gga_gap", "label", "vol"], "condition_column": ["gga_gap", "label"], "answer_column": ["vol"], "condition": {"gga_gap": "3.7017", "label": "Cd-based_polymer"}, "tool": "search_value", "answer": {"vol": "135.667"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the GGA band gap energy (gga_gap) for the material labeled {} with a unit cell volume of {} cubic angstroms."}
{"question": "Identify the Reaction energy (ReactionE) for a Composition of BeO and Base Be.", "refer_dataset": "table24", "column names": ["Composition", "Base", "ReactionE"], "condition_column": ["Composition", "Base"], "answer_column": ["ReactionE"], "condition": {"Composition": "BeO", "Base": "Be"}, "tool": "search_value", "answer": {"ReactionE": "-0.1679881735"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the Reaction energy (ReactionE) for a Composition of {} and Base {}."}
{"question": "What is the melting point (in Kelvin) of the element with symbol Li?", "refer_dataset": "table36", "column names": ["Symbol", "MP (K)"], "condition_column": ["Symbol"], "answer_column": ["MP (K)"], "condition": {"Symbol": "Li"}, "tool": "search_value", "answer": {"MP (K)": "453.7"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the melting point (in Kelvin) of the element with symbol {}?"}
{"question": "Calculate the melting temperature of element A (A_Tm) for materials with Ra = 113.5 Å and density (ρa) = 4.79 g/cm³.", "refer_dataset": "table3", "column names": ["Ra", "ρa", "A_Tm"], "condition_column": ["Ra", "ρa"], "answer_column": ["A_Tm"], "condition": {"Ra": "113.5", "ρa": "4.79"}, "tool": "search_value", "answer": {"A_Tm": "625.32"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the melting temperature of element A (A_Tm) for materials with Ra = {} Å and density (ρa) = {} g/cm³."}
{"question": "What surface energy values are measured for the material TiO4?", "refer_dataset": "table53", "column names": ["formula", "surf_dat"], "condition_column": ["formula"], "answer_column": ["surf_dat"], "condition": {"formula": "TiO4"}, "tool": "search_value", "answer": {"surf_dat": "na"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What surface energy values are measured for the material {}?"}
{"question": "What is the optimized molecular structure (SMILES_relaxed) of a molecule with HOMO energy -0.7643322709248 and LUMO energy 1.51686422304909?", "refer_dataset": "table61", "column names": ["HOMO", "LUMO", "SMILES_relaxed"], "condition_column": ["HOMO", "LUMO"], "answer_column": ["SMILES_relaxed"], "condition": {"HOMO": "-0.7643322709248", "LUMO": "1.51686422304909"}, "tool": "search_value", "answer": {"SMILES_relaxed": "N"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the optimized molecular structure (SMILES_relaxed) of a molecule with HOMO energy {} and LUMO energy {}?"}
{"question": "Find the sulfate ion relationships: What CO3 ion concentration occurs at polymer type PEG, temperature 47 C, and surfactant 0.0%?", "refer_dataset": "table42", "column names": ["Polymer type", "Temperature, C", "Surfactant, % wt.", "CO3 ion, mM"], "condition_column": ["Polymer type", "Temperature, C", "Surfactant, % wt."], "answer_column": ["CO3 ion, mM"], "condition": {"Polymer type": "PEG", "Temperature, C": "47", "Surfactant, % wt.": "0.0"}, "tool": "search_value", "answer": {"CO3 ion, mM": "23"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the sulfate ion relationships: What CO3 ion concentration occurs at polymer type {}, temperature {} C, and surfactant {}%?"}
{"question": "Which space group is assigned to the material with the chemical formula AlCu?", "refer_dataset": "table53", "column names": ["formula", "spg"], "condition_column": ["formula"], "answer_column": ["spg"], "condition": {"formula": "AlCu"}, "tool": "search_value", "answer": {"spg": "C2/m"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which space group is assigned to the material with the chemical formula {}?"}
{"question": "Find the HSE band gap energy (hse_gap) of the material classified as 5.4439 processed using the Cd-based_polymer method.", "refer_dataset": "table58", "column names": ["hse_gap", "label", "method"], "condition_column": ["hse_gap", "label"], "answer_column": ["method"], "condition": {"hse_gap": "5.4439", "label": "Cd-based_polymer"}, "tool": "search_value", "answer": {"method": "minima-hopping"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the HSE band gap energy (hse_gap) of the material classified as {} processed using the {} method."}
{"question": "Find the sulfate ion relationships: What CO3 ion concentration occurs at polymer type PSS, temperature 28 C, and surfactant 0.0%?", "refer_dataset": "table42", "column names": ["Polymer type", "Temperature, C", "Surfactant, % wt.", "CO3 ion, mM"], "condition_column": ["Polymer type", "Temperature, C", "Surfactant, % wt."], "answer_column": ["CO3 ion, mM"], "condition": {"Polymer type": "PSS", "Temperature, C": "28", "Surfactant, % wt.": "0.0"}, "tool": "search_value", "answer": {"CO3 ion, mM": "77"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the sulfate ion relationships: What CO3 ion concentration occurs at polymer type {}, temperature {} C, and surfactant {}%?"}
{"question": "If the OptB88-vdW bandgap is 0.8818999999999999, what is the valence band maximum (VBM)?", "refer_dataset": "table52", "column names": ["optb88vdw_bandgap", "optb88vdw_vbm"], "condition_column": ["optb88vdw_bandgap"], "answer_column": ["optb88vdw_vbm"], "condition": {"optb88vdw_bandgap": "0.8818999999999999"}, "tool": "search_value", "answer": {"optb88vdw_vbm": "6.1399"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If the OptB88-vdW bandgap is {}, what is the valence band maximum (VBM)?"}
{"question": "For entry ID 10, what is the B3LYP Scharber Jsc value?", "refer_dataset": "table51", "column names": ["id", "b3lyp_scharber_jsc"], "condition_column": ["id"], "answer_column": ["b3lyp_scharber_jsc"], "condition": {"id": "10"}, "tool": "search_value", "answer": {"b3lyp_scharber_jsc": "51.7516465031"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For entry ID {}, what is the B3LYP Scharber Jsc value?"}
{"question": "Which element occupies the primary B site position in the compound Ba1Sr7V8O24?", "refer_dataset": "table35", "column names": ["Material Composition", "B site #1"], "condition_column": ["Material Composition"], "answer_column": ["B site #1"], "condition": {"Material Composition": "Ba1Sr7V8O24"}, "tool": "search_value", "answer": {"B site #1": "V"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which element occupies the primary B site position in the compound {}?"}
{"question": "What is the bulk modulus of the material designated by ID mp-1000588?", "refer_dataset": "table56", "column names": ["id", "bulk modulus"], "condition_column": ["id"], "answer_column": ["bulk modulus"], "condition": {"id": "mp-1000588"}, "tool": "search_value", "answer": {"bulk modulus": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bulk modulus of the material designated by ID {}?"}
{"question": "What perovskite has a value of -0.05311 in feature 17 and a similarity score of 0.288779?", "refer_dataset": "table14", "column names": ["17", "similarity", "Perovskite"], "condition_column": ["17", "similarity"], "answer_column": ["Perovskite"], "condition": {"17": "-0.05311", "similarity": "0.288779"}, "tool": "search_value", "answer": {"Perovskite": "SrFeO3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What perovskite has a value of {} in feature 17 and a similarity score of {}?"}
{"question": "What overpotential (V) is required for the catalyst Au nanoporous to function?", "refer_dataset": "table12", "column names": ["Catalyst label", "overpotential V"], "condition_column": ["Catalyst label"], "answer_column": ["overpotential V"], "condition": {"Catalyst label": "Au nanoporous"}, "tool": "search_value", "answer": {"overpotential V": "0.394"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What overpotential (V) is required for the catalyst {} to function?"}
{"question": "What is the reference number for the experiment testing 1,4-Dioxane with nanoparticle dose 1.5 g/L?", "refer_dataset": "table9", "column names": ["OC", "D, g/L", "Ref"], "condition_column": ["OC", "D, g/L"], "answer_column": ["Ref"], "condition": {"OC": "1,4-Dioxane", "D, g/L": "1.5"}, "tool": "search_value", "answer": {"Ref": "18"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the reference number for the experiment testing {} with nanoparticle dose {} g/L?"}
{"question": "What is the CH4/O2 molar ratio required for 27.1% methane conversion at a temperature of 850.0℃ with Support MgO?", "refer_dataset": "table23", "column names": ["CH4 conversion (%)", "Temp. (℃)", "Support", "CH4/O2 (mol/mol)"], "condition_column": ["CH4 conversion (%)", "Temp. (℃)", "Support"], "answer_column": ["CH4/O2 (mol/mol)"], "condition": {"CH4 conversion (%)": "27.1", "Temp. (℃)": "850.0", "Support": "MgO"}, "tool": "search_value", "answer": {"CH4/O2 (mol/mol)": "2.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CH4/O2 molar ratio required for {}% methane conversion at a temperature of {}℃ with Support {}?"}
{"question": "What is the temperature in Kelvin corresponding to a magnetic flux density of 1.0 mT?", "refer_dataset": "table32", "column names": ["mT", "K"], "condition_column": ["mT"], "answer_column": ["K"], "condition": {"mT": "1.0"}, "tool": "search_value", "answer": {"K": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the temperature in Kelvin corresponding to a magnetic flux density of {} mT?"}
{"question": "List the elements present in the material with formula Ac stored at extra/batch-001/Ac/Ac/xxx_02a-00_agm003157159_spg225?", "refer_dataset": "table44", "column names": ["formula", "location", "elements"], "condition_column": ["formula", "location"], "answer_column": ["elements"], "condition": {"formula": "Ac", "location": "extra/batch-001/Ac/Ac/xxx_02a-00_agm003157159_spg225"}, "tool": "search_value", "answer": {"elements": "['Ac']"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "List the elements present in the material with formula {} stored at {}?"}
{"question": "Which bulk formula corresponds to job identifier JVASP-922 after achieving chemical potential -5.64031724137931?", "refer_dataset": "table68", "column names": ["jid", "chem_pot", "bulk_formula"], "condition_column": ["jid", "chem_pot"], "answer_column": ["bulk_formula"], "condition": {"jid": "JVASP-922", "chem_pot": "-5.64031724137931"}, "tool": "search_value", "answer": {"bulk_formula": "Mn"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which bulk formula corresponds to job identifier {} after achieving chemical potential {}?"}
{"question": "What is the report number for the paper submitted by Christian Stahn in the hep-th category?", "refer_dataset": "table45", "column names": ["submitter", "categories", "report-no"], "condition_column": ["submitter", "categories"], "answer_column": ["report-no"], "condition": {"submitter": "Christian Stahn", "categories": "hep-th"}, "tool": "search_value", "answer": {"report-no": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the report number for the paper submitted by {} in the {} category?"}
{"question": "Determine the aging time (h) for an alloy aged at 1024.0°C.", "refer_dataset": "table39", "column names": ["时效时间t (h)", "时效温度T (℃)"], "condition_column": ["时效时间t (h)"], "answer_column": ["时效温度T (℃)"], "condition": {"时效时间t (h)": "1024.0"}, "tool": "search_value", "answer": {"时效温度T (℃)": "600.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the aging time (h) for an alloy aged at {}°C."}
{"question": "Find the defective energy value for the job identifier JVASP-25104 and its Wyckoff position f.", "refer_dataset": "table68", "column names": ["jid", "wycoff", "defective_energy"], "condition_column": ["jid", "wycoff"], "answer_column": ["defective_energy"], "condition": {"jid": "JVASP-25104", "wycoff": "f"}, "tool": "search_value", "answer": {"defective_energy": "-2.98530497"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the defective energy value for the job identifier {} and its Wyckoff position {}."}
{"question": "For material BeTe, surface identifier Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP, and initial atomic structure {'lattice_mat': [[8.00292141, 0.0, 0.0], [0.0, 5.65892, 0.0], [0.0, 0.0, 24.00438212]], 'coords': [[0.99999982, 0.625, 0.04167423], [0.49999991, 0.625, 0.20837134], [0.0, 0.625, 0.37506845], [0.74999996, 0.125, 0.12502279], [0.25000004, 0.125, 0.29171989], [0.75000013, 0.125, 0.458417], [0.24999987, 0.125, 0.12502279], [0.74999996, 0.125, 0.29171989], [0.25000004, 0.125, 0.458417], [0.49999991, 0.625, 0.04167423], [0.0, 0.625, 0.20837134], [0.50000009, 0.625, 0.37506845], [0.24999987, 0.375, 0.04167423], [0.74999996, 0.375, 0.20837134], [0.25000004, 0.375, 0.37506845], [0.0, 0.875, 0.12502279], [0.50000009, 0.875, 0.29171989], [1.8e-07, 0.875, 0.458417], [0.49999991, 0.875, 0.12502279], [0.0, 0.875, 0.29171989], [0.50000009, 0.875, 0.458417], [0.74999996, 0.375, 0.04167423], [0.25000004, 0.375, 0.20837134], [0.75000013, 0.375, 0.37506845]], 'elements': ['Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te'], 'abc': [8.00292, 5.65892, 24.00438], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}, find the SCF conduction band minimum (scf_cbm).", "refer_dataset": "table66", "column names": ["formula", "name", "initial_atoms", "scf_cbm"], "condition_column": ["formula", "name", "initial_atoms"], "answer_column": ["scf_cbm"], "condition": {"formula": "BeTe", "name": "Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP", "initial_atoms": "{'lattice_mat': [[8.00292141, 0.0, 0.0], [0.0, 5.65892, 0.0], [0.0, 0.0, 24.00438212]], 'coords': [[0.99999982, 0.625, 0.04167423], [0.49999991, 0.625, 0.20837134], [0.0, 0.625, 0.37506845], [0.74999996, 0.125, 0.12502279], [0.25000004, 0.125, 0.29171989], [0.75000013, 0.125, 0.458417], [0.24999987, 0.125, 0.12502279], [0.74999996, 0.125, 0.29171989], [0.25000004, 0.125, 0.458417], [0.49999991, 0.625, 0.04167423], [0.0, 0.625, 0.20837134], [0.50000009, 0.625, 0.37506845], [0.24999987, 0.375, 0.04167423], [0.74999996, 0.375, 0.20837134], [0.25000004, 0.375, 0.37506845], [0.0, 0.875, 0.12502279], [0.50000009, 0.875, 0.29171989], [1.8e-07, 0.875, 0.458417], [0.49999991, 0.875, 0.12502279], [0.0, 0.875, 0.29171989], [0.50000009, 0.875, 0.458417], [0.74999996, 0.375, 0.04167423], [0.25000004, 0.375, 0.20837134], [0.75000013, 0.375, 0.37506845]], 'elements': ['Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te'], 'abc': [8.00292, 5.65892, 24.00438], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}"}, "tool": "search_value", "answer": {"scf_cbm": "4.428"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For material {}, surface identifier {}, and initial atomic structure {}, find the SCF conduction band minimum (scf_cbm)."}
{"question": "What is the methane conversion (%) for a catalyst containing M1 component Na, M2 component Eu, and Support MgO?", "refer_dataset": "table23", "column names": ["M1", "M2", "Support", "CH4 conversion (%)"], "condition_column": ["M1", "M2", "Support"], "answer_column": ["CH4 conversion (%)"], "condition": {"M1": "Na", "M2": "Eu", "Support": "MgO"}, "tool": "search_value", "answer": {"CH4 conversion (%)": "35.6"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the methane conversion (%) for a catalyst containing M1 component {}, M2 component {}, and Support {}?"}
{"question": "Which DFT functional was used for the material with formula TbMnSi?", "refer_dataset": "table47", "column names": ["formula", "func"], "condition_column": ["formula"], "answer_column": ["func"], "condition": {"formula": "TbMnSi"}, "tool": "search_value", "answer": {"func": "OptB88vdW"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which DFT functional was used for the material with formula {}?"}
{"question": "For a material with HSE decomposition energy of -0.18 eV and an electronic permittivity (Eps_elec) of 4.53, what is the PBE bandgap?", "refer_dataset": "table49", "column names": ["HSE_decomp_energy", "Eps_elec", "PBE_gap"], "condition_column": ["HSE_decomp_energy", "Eps_elec"], "answer_column": ["PBE_gap"], "condition": {"HSE_decomp_energy": "-0.18", "Eps_elec": "4.53"}, "tool": "search_value", "answer": {"PBE_gap": "1.26"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a material with HSE decomposition energy of {} eV and an electronic permittivity (Eps_elec) of {}, what is the PBE bandgap?"}
{"question": "For a Ni composition of 0.2 and Ca composition of 0.8, determine J.uAcm2_0.63_initialCA.", "refer_dataset": "table16", "column names": ["Ni", "Ca", "J.uAcm2_0.63_initialCA"], "condition_column": ["Ni", "Ca"], "answer_column": ["J.uAcm2_0.63_initialCA"], "condition": {"Ni": "0.2", "Ca": "0.8"}, "tool": "search_value", "answer": {"J.uAcm2_0.63_initialCA": "1135.911"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a Ni composition of {} and Ca composition of {}, determine J.uAcm2_0.63_initialCA."}
{"question": "Determine the formation energy (e_form) for the material with stability (e_hull) 0.0039807824999997 and magnetic moment (mu_b) -7.829999999999999e-05.", "refer_dataset": "table54", "column names": ["e_hull", "mu_b", "e_form"], "condition_column": ["e_hull", "mu_b"], "answer_column": ["e_form"], "condition": {"e_hull": "0.0039807824999997", "mu_b": "-7.829999999999999e-05"}, "tool": "search_value", "answer": {"e_form": "-0.3607627800000004"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the formation energy (e_form) for the material with stability (e_hull) {} and magnetic moment (mu_b) {}."}
{"question": "What is the feature 55 value when perovskite SrCoO3 has a similarity score of 0.323249?", "refer_dataset": "table14", "column names": ["Perovskite", "similarity", "55"], "condition_column": ["Perovskite", "similarity"], "answer_column": ["55"], "condition": {"Perovskite": "SrCoO3", "similarity": "0.323249"}, "tool": "search_value", "answer": {"55": "-0.03636"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the feature 55 value when perovskite {} has a similarity score of {}?"}
{"question": "Calculate the ethylene yield for a catalyst with M4 element Mn, support BaO, and CO yield 2.1%?", "refer_dataset": "table26", "column names": ["M4", "Support", "CO yield (%)", "C2H4 yield (%)"], "condition_column": ["M4", "Support", "CO yield (%)"], "answer_column": ["C2H4 yield (%)"], "condition": {"M4": "Mn", "Support": "BaO", "CO yield (%)": "2.1"}, "tool": "search_value", "answer": {"C2H4 yield (%)": "5.7"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the ethylene yield for a catalyst with M4 element {}, support {}, and CO yield {}%?"}
{"question": "Report the average maximum potential (avg_max) for surface Surface-JVASP-64917_miller_1_1_0_thickness_16_VASP_PBE_noDP composed of Be2FeW when the SCF valence band maximum (scf_vbm) is 7.36.", "refer_dataset": "table66", "column names": ["name", "formula", "scf_vbm", "avg_max"], "condition_column": ["name", "formula", "scf_vbm"], "answer_column": ["avg_max"], "condition": {"name": "Surface-JVASP-64917_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "Be2FeW", "scf_vbm": "7.36"}, "tool": "search_value", "answer": {"avg_max": "4.90124480902507"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the average maximum potential (avg_max) for surface {} composed of {} when the SCF valence band maximum (scf_vbm) is {}."}
{"question": "What is the MBJ bandgap for the material with formula SrFeO3 and space group number 221?", "refer_dataset": "table47", "column names": ["formula", "spg_number", "mbj_bandgap"], "condition_column": ["formula", "spg_number"], "answer_column": ["mbj_bandgap"], "condition": {"formula": "SrFeO3", "spg_number": "221"}, "tool": "search_value", "answer": {"mbj_bandgap": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the MBJ bandgap for the material with formula {} and space group number {}?"}
{"question": "For the optimized molecular structure C, what is the HOMO-LUMO energy gap (gap)?", "refer_dataset": "table61", "column names": ["SMILES_relaxed", "gap"], "condition_column": ["SMILES_relaxed"], "answer_column": ["gap"], "condition": {"SMILES_relaxed": "C"}, "tool": "search_value", "answer": {"gap": "5.35591684810335"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the optimized molecular structure {}, what is the HOMO-LUMO energy gap (gap)?"}
{"question": "Identify the LUMO energy value associated with a HOMO energy level of -8.881796836853027.", "refer_dataset": "table60", "column names": ["homo", "lumo"], "condition_column": ["homo"], "answer_column": ["lumo"], "condition": {"homo": "-8.881796836853027"}, "tool": "search_value", "answer": {"lumo": "1.0231480598449707"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the LUMO energy value associated with a HOMO energy level of {}."}
{"question": "What is the density (g/cm³) of the compound with the formula Dy1Zn5?", "refer_dataset": "table31", "column names": ["0", "6"], "condition_column": ["0"], "answer_column": ["6"], "condition": {"0": "Dy1Zn5"}, "tool": "search_value", "answer": {"6": "0.00000g/cm3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the density (g/cm³) of the compound with the formula {}?"}
{"question": "What is the atomic radius of element A (Ra) in the material BaTi0.99Mo0.01O3?", "refer_dataset": "table3", "column names": ["Materials", "Ra"], "condition_column": ["Materials"], "answer_column": ["Ra"], "condition": {"Materials": "BaTi0.99Mo0.01O3"}, "tool": "search_value", "answer": {"Ra": "135.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the atomic radius of element A (Ra) in the material {}?"}
{"question": "For the Mg-F compound with job ID JQE-10, what are the stress tensor components?", "refer_dataset": "table59", "column names": ["jid", "stress"], "condition_column": ["jid"], "answer_column": ["stress"], "condition": {"jid": "JQE-10"}, "tool": "search_value", "answer": {"stress": "[[0.01516131614936426, 0.0007414110692190034, 3.874201874344208e-06], [0.0007414110692184534, 0.015981255127541977, -2.2884875297685064e-06], [3.874201874344215e-06, -2.288487529768501e-06, 0.01745868369858433]]"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the Mg-F compound with job ID {}, what are the stress tensor components?"}
{"question": "Provide the atomic energy (atom_en) for the entry using the -5.37851 method.", "refer_dataset": "table58", "column names": ["atom_en", "method"], "condition_column": ["atom_en"], "answer_column": ["method"], "condition": {"atom_en": "-5.37851"}, "tool": "search_value", "answer": {"method": "minima-hopping"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the atomic energy (atom_en) for the entry using the {} method."}
{"question": "Under [0.01, 0.05, 0.1, 0.5, 2.5] bar pressure, what is the absolute adsorption for an MOF with ID hMOF-16554 and void fraction 0.805618?", "refer_dataset": "table50", "column names": ["co2_pressures", "id", "void_fraction", "co2_absp"], "condition_column": ["co2_pressures", "id", "void_fraction"], "answer_column": ["co2_absp"], "condition": {"co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]", "id": "hMOF-16554", "void_fraction": "0.805618"}, "tool": "search_value", "answer": {"co2_absp": "[0.0239195, 0.11422199999999999, 0.24851199999999998, 1.21076, 4.18618]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Under {} bar pressure, what is the absolute adsorption for an MOF with ID {} and void fraction {}?"}
{"question": "What is the Gibbs free energy (G) of the molecule with the optimized structure O?", "refer_dataset": "table61", "column names": ["SMILES_relaxed", "G"], "condition_column": ["SMILES_relaxed"], "answer_column": ["G"], "condition": {"SMILES_relaxed": "O"}, "tool": "search_value", "answer": {"G": "6.53867256157596"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the Gibbs free energy (G) of the molecule with the optimized structure {}?"}
{"question": "List the elements present in the material with formula Ac10(GePb)3 stored at cgat_comp_2/ternaries/A3B3C10/runs/batch-001/Ge/Ge3Pb3Ac10/xxx_02a-00_agm005668244_spg189?", "refer_dataset": "table44", "column names": ["formula", "location", "elements"], "condition_column": ["formula", "location"], "answer_column": ["elements"], "condition": {"formula": "Ac10(GePb)3", "location": "cgat_comp_2/ternaries/A3B3C10/runs/batch-001/Ge/Ge3Pb3Ac10/xxx_02a-00_agm005668244_spg189"}, "tool": "search_value", "answer": {"elements": "['Ac', 'Ge', 'Pb']"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "List the elements present in the material with formula {} stored at {}?"}
{"question": "What is the chemical formula of the material with ID 14309 and a superconducting transition temperature of 0.0?", "refer_dataset": "table65", "column names": ["id", "Tc", "formula"], "condition_column": ["id", "Tc"], "answer_column": ["formula"], "condition": {"id": "14309", "Tc": "0.0"}, "tool": "search_value", "answer": {"formula": "B2Th1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula of the material with ID {} and a superconducting transition temperature of {}?"}
{"question": "What is the prototype structure identifier for the material with ID agm005572787?", "refer_dataset": "table44", "column names": ["mat_id", "prototype_id"], "condition_column": ["mat_id"], "answer_column": ["prototype_id"], "condition": {"mat_id": "agm005572787"}, "tool": "search_value", "answer": {"prototype_id": "A2B3C10_58_spg12"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the prototype structure identifier for the material with ID {}?"}
{"question": "What is the radius of element B (Rb) for composition NaNb0.5Ta0.5O3 with a tolerance factor (t) of 0.931 and electronegativity of B (χpb) 1.55?", "refer_dataset": "table2", "column names": ["Materials", "t", "χpb", "Rb"], "condition_column": ["Materials", "t", "χpb"], "answer_column": ["Rb"], "condition": {"Materials": "NaNb0.5Ta0.5O3", "t": "0.931", "χpb": "1.55"}, "tool": "search_value", "answer": {"Rb": "72.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the radius of element B (Rb) for composition {} with a tolerance factor (t) of {} and electronegativity of B (χpb) {}?"}
{"question": "What are the vacancy formation factors for the material with bulk energy -4.21728 and job identifier JVASP-25104?", "refer_dataset": "table68", "column names": ["bulk_energy", "jid", "ff_vac"], "condition_column": ["bulk_energy", "jid"], "answer_column": ["ff_vac"], "condition": {"bulk_energy": "-4.21728", "jid": "JVASP-25104"}, "tool": "search_value", "answer": {"ff_vac": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What are the vacancy formation factors for the material with bulk energy {} and job identifier {}?"}
{"question": "At what pH does a Nanowires structure catalyst from the Carbon-based  material family with doping status 0.0 operate?", "refer_dataset": "table12", "column names": ["Structure", "Material Family", "Doping", "pH"], "condition_column": ["Structure", "Material Family", "Doping"], "answer_column": ["pH"], "condition": {"Structure": "Nanowires", "Material Family": "Carbon-based ", "Doping": "0.0"}, "tool": "search_value", "answer": {"pH": "7.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what pH does a {} structure catalyst from the {} material family with doping status {} operate?"}
{"question": "What is the reaction energy (eV) for adsorbed carbon CH2* and hydrogen CH2* on surface -1?", "refer_dataset": "table18", "column names": ["b", "a", "surfaces", "reaction_energy"], "condition_column": ["b", "a", "surfaces"], "answer_column": ["reaction_energy"], "condition": {"b": "CH2*", "a": "CH2*", "surfaces": "-1"}, "tool": "search_value", "answer": {"reaction_energy": "0.07"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the reaction energy (eV) for adsorbed carbon {} and hydrogen {} on surface {}?"}
{"question": "What comments are associated with the paper authored by Ignazio Licata and report number Published in Systemics of Emergence. Research and Development,\n  Minati G., Pessa E., Abram M., Springer, 2006, pages 723-734?", "refer_dataset": "table45", "column names": ["authors", "report-no", "comments"], "condition_column": ["authors", "report-no"], "answer_column": ["comments"], "condition": {"authors": "Ignazio Licata", "report-no": "Published in Systemics of Emergence. Research and Development,\n  Minati G., Pessa E., Abram M., Springer, 2006, pages 723-734"}, "tool": "search_value", "answer": {"comments": "12 pages,3 figures"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What comments are associated with the paper authored by {} and report number {}?"}
{"question": "What Methyl adsorption energy (CH3Ead) occurs in Composition BeO paired with Base Be?", "refer_dataset": "table24", "column names": ["Composition", "Base", "CH3Ead"], "condition_column": ["Composition", "Base"], "answer_column": ["CH3Ead"], "condition": {"Composition": "BeO", "Base": "Be"}, "tool": "search_value", "answer": {"CH3Ead": "-0.5133791665"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What Methyl adsorption energy (CH3Ead) occurs in Composition {} paired with Base {}?"}
{"question": "Determine the calcination temperature (CT) required for the molecular formula La0.5Bi0.2Ba0.2Mn0.1FeO3 to achieve a specific surface area of 5.91 m²/g.", "refer_dataset": "table11", "column names": ["Molecular formulas", "SSA (m2 g -1 )", "CT (℃)"], "condition_column": ["Molecular formulas", "SSA (m2 g -1 )"], "answer_column": ["CT (℃)"], "condition": {"Molecular formulas": "La0.5Bi0.2Ba0.2Mn0.1FeO3", "SSA (m2 g -1 )": "5.91"}, "tool": "search_value", "answer": {"CT (℃)": "800"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the calcination temperature (CT) required for the molecular formula {} to achieve a specific surface area of {} m²/g."}
{"question": "Which catalyst support material is used when the C₂ yield is 3.6%?", "refer_dataset": "table23", "column names": ["C2 yield (%)", "Support"], "condition_column": ["C2 yield (%)"], "answer_column": ["Support"], "condition": {"C2 yield (%)": "3.6"}, "tool": "search_value", "answer": {"Support": "MgO"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which catalyst support material is used when the C₂ yield is {}%?"}
{"question": "What is the bandgap (gap pbe) of the material with formula CrN and an e_hull of 0.1372651699999991?", "refer_dataset": "table56", "column names": ["formula", "e_hull", "gap pbe"], "condition_column": ["formula", "e_hull"], "answer_column": ["gap pbe"], "condition": {"formula": "CrN", "e_hull": "0.1372651699999991"}, "tool": "search_value", "answer": {"gap pbe": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bandgap (gap pbe) of the material with formula {} and an e_hull of {}?"}
{"question": "Find the LUMO energy level (eV) for the compound with species NHCHNH2.", "refer_dataset": "table46", "column names": ["species", "lumo"], "condition_column": ["species"], "answer_column": ["lumo"], "condition": {"species": "NHCHNH2"}, "tool": "search_value", "answer": {"lumo": "0.03841"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the LUMO energy level (eV) for the compound with species {}."}
{"question": "Who submitted the paper titled David Callan?", "refer_dataset": "table45", "column names": ["submitter", "title"], "condition_column": ["submitter"], "answer_column": ["title"], "condition": {"submitter": "David Callan"}, "tool": "search_value", "answer": {"title": "A determinant of Stirling cycle numbers counts unlabeled acyclic\n  single-source automata"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Who submitted the paper titled {}?"}
{"question": "Provide the ID for the material with formula BeH2 and formula_energy -0.0656403766667.", "refer_dataset": "table64", "column names": ["formula", "formula_energy", "id"], "condition_column": ["formula", "formula_energy"], "answer_column": ["id"], "condition": {"formula": "BeH2", "formula_energy": "-0.0656403766667"}, "tool": "search_value", "answer": {"id": "218"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the ID for the material with formula {} and formula_energy {}."}
{"question": "How many atoms are in the unit cell of the material with job ID JVASP-64906?", "refer_dataset": "table47", "column names": ["jid", "nat"], "condition_column": ["jid"], "answer_column": ["nat"], "condition": {"jid": "JVASP-64906"}, "tool": "search_value", "answer": {"nat": "4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many atoms are in the unit cell of the material with job ID {}?"}
{"question": "For the material with ID mp-10004, what is its stability (e_hull) metric?", "refer_dataset": "table54", "column names": ["id", "e_hull"], "condition_column": ["id"], "answer_column": ["e_hull"], "condition": {"id": "mp-10004"}, "tool": "search_value", "answer": {"e_hull": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with ID {}, what is its stability (e_hull) metric?"}
{"question": "What is the RH2 value for a photocatalyst synthesized via 422.7 at Flux-growth K with a light intensity of 1273.0 W?", "refer_dataset": "table1", "column names": ["RH2(µmol h-1 g-1)", "Preparation method", "Calcination temperature(K)", "Light intensity(W)"], "condition_column": ["RH2(µmol h-1 g-1)", "Preparation method", "Calcination temperature(K)"], "answer_column": ["Light intensity(W)"], "condition": {"RH2(µmol h-1 g-1)": "422.7", "Preparation method": "Flux-growth", "Calcination temperature(K)": "1273.0"}, "tool": "search_value", "answer": {"Light intensity(W)": "Xe lamp (300 W), λ > 420 nm"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the RH2 value for a photocatalyst synthesized via {} at {} K with a light intensity of {} W?"}
{"question": "What is the coordination number of the compound in the Crown Ether chemical family with 5.0 ligand molecules?", "refer_dataset": "table34", "column names": ["chemical_family", "number_of_ligands", "coordination_number"], "condition_column": ["chemical_family", "number_of_ligands"], "answer_column": ["coordination_number"], "condition": {"chemical_family": "Crown Ether", "number_of_ligands": "5.0"}, "tool": "search_value", "answer": {"coordination_number": "9.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the coordination number of the compound in the {} chemical family with {} ligand molecules?"}
{"question": "What reference (Ref) corresponds to a photocatalyst with molecular formula [2], calcination time of La0.85Sr0.15FeO3 h, and Eg of 10.0 eV?", "refer_dataset": "table1", "column names": ["Ref", "Molecular formula", "Calcination time(h)", "Eg(eV)"], "condition_column": ["Ref", "Molecular formula", "Calcination time(h)"], "answer_column": ["Eg(eV)"], "condition": {"Ref": "[2]", "Molecular formula": "La0.85Sr0.15FeO3", "Calcination time(h)": "10.0"}, "tool": "search_value", "answer": {"Eg(eV)": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reference (Ref) corresponds to a photocatalyst with molecular formula {}, calcination time of {} h, and Eg of {} eV?"}
{"question": "Determine the void fraction of the MOF with pore limiting diameter 23.75 Å.", "refer_dataset": "table50", "column names": ["pld", "void_fraction"], "condition_column": ["pld"], "answer_column": ["void_fraction"], "condition": {"pld": "23.75"}, "tool": "search_value", "answer": {"void_fraction": "0.932387"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the void fraction of the MOF with pore limiting diameter {} Å."}
{"question": "Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of -19.51924514770508 and heat capacity (Cv) of 8.75100040435791.", "refer_dataset": "table60", "column names": ["G", "Cv", "zpve"], "condition_column": ["G", "Cv"], "answer_column": ["zpve"], "condition": {"G": "-19.51924514770508", "Cv": "8.75100040435791"}, "tool": "search_value", "answer": {"zpve": "1.3934406042099"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of {} and heat capacity (Cv) of {}."}
{"question": "What is the CIF filename associated with structural data for compound [Pc2Tm]TBA?", "refer_dataset": "table34", "column names": ["compound", "CIF_file_name"], "condition_column": ["compound"], "answer_column": ["CIF_file_name"], "condition": {"compound": "[Pc2Tm]TBA"}, "tool": "search_value", "answer": {"CIF_file_name": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CIF filename associated with structural data for compound {}?"}
{"question": "What is the conduction band minimum (OptB88-vdW) for a system with a final optimized energy of -109.64061114?", "refer_dataset": "table52", "column names": ["final_energy", "optb88vdw_cbm"], "condition_column": ["final_energy"], "answer_column": ["optb88vdw_cbm"], "condition": {"final_energy": "-109.64061114"}, "tool": "search_value", "answer": {"optb88vdw_cbm": "3.6149"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the conduction band minimum (OptB88-vdW) for a system with a final optimized energy of {}?"}
{"question": "What is the DOI for the paper authored by Damian C. Swift and categorized under cond-mat.mtrl-sci?", "refer_dataset": "table45", "column names": ["authors", "categories", "doi"], "condition_column": ["authors", "categories"], "answer_column": ["doi"], "condition": {"authors": "Damian C. Swift", "categories": "cond-mat.mtrl-sci"}, "tool": "search_value", "answer": {"doi": "10.1063/1.2975338"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the DOI for the paper authored by {} and categorized under {}?"}
{"question": "What is the current density at 0.63 V (secondCA) when Mn is 0.1 and Fe is 0.9?", "refer_dataset": "table16", "column names": ["Mn", "Fe", "J.uAcm2_0.63_secondCA"], "condition_column": ["Mn", "Fe"], "answer_column": ["J.uAcm2_0.63_secondCA"], "condition": {"Mn": "0.1", "Fe": "0.9"}, "tool": "search_value", "answer": {"J.uAcm2_0.63_secondCA": "1159.105"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the current density at 0.63 V (secondCA) when Mn is {} and Fe is {}?"}
{"question": "At what temperature (°C) was the organic compound Iopromide tested?", "refer_dataset": "table9", "column names": ["OC", "T, oC"], "condition_column": ["OC"], "answer_column": ["T, oC"], "condition": {"OC": "Iopromide"}, "tool": "search_value", "answer": {"T, oC": "20"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what temperature (°C) was the organic compound {} tested?"}
{"question": "Identify the detailed chemical formula for the material identified by mp-1176979.", "refer_dataset": "table55", "column names": ["material_id", "full_formula"], "condition_column": ["material_id"], "answer_column": ["full_formula"], "condition": {"material_id": "mp-1176979"}, "tool": "search_value", "answer": {"full_formula": "Li6Fe1S4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the detailed chemical formula for the material identified by {}."}
{"question": "Identify the perovskite with a similarity score of LaCoO3.", "refer_dataset": "table14", "column names": ["Perovskite", "similarity"], "condition_column": ["Perovskite"], "answer_column": ["similarity"], "condition": {"Perovskite": "LaCoO3"}, "tool": "search_value", "answer": {"similarity": "0.318801"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the perovskite with a similarity score of {}."}
{"question": "If the OptB88-vdW bandgap is -0.3521999999999998, what is the valence band maximum (VBM)?", "refer_dataset": "table52", "column names": ["optb88vdw_bandgap", "optb88vdw_vbm"], "condition_column": ["optb88vdw_bandgap"], "answer_column": ["optb88vdw_vbm"], "condition": {"optb88vdw_bandgap": "-0.3521999999999998"}, "tool": "search_value", "answer": {"optb88vdw_vbm": "3.9299"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If the OptB88-vdW bandgap is {}, what is the valence band maximum (VBM)?"}
{"question": "What conversion yield (C2y) is achieved when the primary metal (M1) is Li, secondary metal (M2) is Mg, and process temperature is 671°C?", "refer_dataset": "table28", "column names": ["M1", "M2", "Temperature", "C2y"], "condition_column": ["M1", "M2", "Temperature"], "answer_column": ["C2y"], "condition": {"M1": "Li", "M2": "Mg", "Temperature": "671"}, "tool": "search_value", "answer": {"C2y": "11.5"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What conversion yield (C2y) is achieved when the primary metal (M1) is {}, secondary metal (M2) is {}, and process temperature is {}°C?"}
{"question": "What is the value recorded in feature 18 for LaCoO3 perovskite?", "refer_dataset": "table14", "column names": ["Perovskite", "18"], "condition_column": ["Perovskite"], "answer_column": ["18"], "condition": {"Perovskite": "LaCoO3"}, "tool": "search_value", "answer": {"18": "0.009115"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the value recorded in feature 18 for {} perovskite?"}
{"question": "What magnetic ordering is reported for the compound identified by ICSD_number 300020?", "refer_dataset": "table63", "column names": ["ICSD_number", "Magnetic_ordering"], "condition_column": ["ICSD_number"], "answer_column": ["Magnetic_ordering"], "condition": {"ICSD_number": "300020"}, "tool": "search_value", "answer": {"Magnetic_ordering": "FM"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What magnetic ordering is reported for the compound identified by ICSD_number {}?"}
{"question": "Identify the reference identifier for a material with primary B site Ti, secondary B2 site Nb, and cycle3 performance 386.7.", "refer_dataset": "table5", "column names": ["B site", "B2 site", "cycle3", "Ref"], "condition_column": ["B site", "B2 site", "cycle3"], "answer_column": ["Ref"], "condition": {"B site": "Ti", "B2 site": "Nb", "cycle3": "386.7"}, "tool": "search_value", "answer": {"Ref": "[A152]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the reference identifier for a material with primary B site {}, secondary B2 site {}, and cycle3 performance {}."}
{"question": "For surface structure Surface-JVASP-63938_miller_1_1_0_thickness_16_VASP_PBE_noDP, what is the SCF valence band maximum (scf_vbm) if composed of BaNaBr and exhibiting a surface valence band maximum of -0.38?", "refer_dataset": "table66", "column names": ["name", "formula", "surf_vbm", "scf_vbm"], "condition_column": ["name", "formula", "surf_vbm"], "answer_column": ["scf_vbm"], "condition": {"name": "Surface-JVASP-63938_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "BaNaBr", "surf_vbm": "-0.38"}, "tool": "search_value", "answer": {"scf_vbm": "1.924"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For surface structure {}, what is the SCF valence band maximum (scf_vbm) if composed of {} and exhibiting a surface valence band maximum of {}?"}
{"question": "Which material with elements ['Ac'] and space group 166 has the lowest energy above the convex hull?", "refer_dataset": "table44", "column names": ["elements", "spg", "e_above_hull"], "condition_column": ["elements", "spg"], "answer_column": ["e_above_hull"], "condition": {"elements": "['Ac']", "spg": "166"}, "tool": "search_value", "answer": {"e_above_hull": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which material with elements {} and space group {} has the lowest energy above the convex hull?"}
{"question": "What is the bandgap (gap pbe) of the material with formula CeAlO3 and an e_hull of 0.014698139?", "refer_dataset": "table56", "column names": ["formula", "e_hull", "gap pbe"], "condition_column": ["formula", "e_hull"], "answer_column": ["gap pbe"], "condition": {"formula": "CeAlO3", "e_hull": "0.014698139"}, "tool": "search_value", "answer": {"gap pbe": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bandgap (gap pbe) of the material with formula {} and an e_hull of {}?"}
{"question": "What is the specific magnetic moment (Am²/kg) for the document with doi 10.1016/j.msea.2019.02.082?", "refer_dataset": "table32", "column names": ["doi", "Am^2/kg"], "condition_column": ["doi"], "answer_column": ["Am^2/kg"], "condition": {"doi": "10.1016/j.msea.2019.02.082"}, "tool": "search_value", "answer": {"Am^2/kg": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the specific magnetic moment (Am²/kg) for the document with doi {}?"}
{"question": "Calculate the energy gap (gap) for a material with HOMO energy -6.993326187133789, LUMO energy 2.255823850631714, and ID 1.0.", "refer_dataset": "table60", "column names": ["homo", "lumo", "id", "gap"], "condition_column": ["homo", "lumo", "id"], "answer_column": ["gap"], "condition": {"homo": "-6.993326187133789", "lumo": "2.255823850631714", "id": "1.0"}, "tool": "search_value", "answer": {"gap": "9.249150276184082"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the energy gap (gap) for a material with HOMO energy {}, LUMO energy {}, and ID {}."}
{"question": "Determine the electronic spillage value for the material with formula Nb2O5 and shear modulus na?", "refer_dataset": "table48", "column names": ["formula", "shear_modulus_gv", "spillage"], "condition_column": ["formula", "shear_modulus_gv"], "answer_column": ["spillage"], "condition": {"formula": "Nb2O5", "shear_modulus_gv": "na"}, "tool": "search_value", "answer": {"spillage": "0.003"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the electronic spillage value for the material with formula {} and shear modulus {}?"}
{"question": "Convert the Extracted Value 845 with Units K to Normalised Units.", "refer_dataset": "table33", "column names": ["Extracted Value", "Extracted Units", "Normalised Value"], "condition_column": ["Extracted Value", "Extracted Units"], "answer_column": ["Normalised Value"], "condition": {"Extracted Value": "845", "Extracted Units": "K"}, "tool": "search_value", "answer": {"Normalised Value": "845"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Convert the Extracted Value {} with Units {} to Normalised Units."}
{"question": "What is the total energy after optimization (final_energy) for a system where the OptB88-vdW bandgap is -109.64061114?", "refer_dataset": "table52", "column names": ["final_energy", "optb88vdw_bandgap"], "condition_column": ["final_energy"], "answer_column": ["optb88vdw_bandgap"], "condition": {"final_energy": "-109.64061114"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "-0.1169999999999999"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total energy after optimization (final_energy) for a system where the OptB88-vdW bandgap is {}?"}
{"question": "Determine the material dimensionality classification for the entry with ID JVASP-14812_Sm_a.", "refer_dataset": "table68", "column names": ["id", "material_type"], "condition_column": ["id"], "answer_column": ["material_type"], "condition": {"id": "JVASP-14812_Sm_a"}, "tool": "search_value", "answer": {"material_type": "3D"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the material dimensionality classification for the entry with ID {}."}
{"question": "Which space group symbol corresponds to space group number 54?", "refer_dataset": "table48", "column names": ["spg_number", "spg_symbol"], "condition_column": ["spg_number"], "answer_column": ["spg_symbol"], "condition": {"spg_number": "54"}, "tool": "search_value", "answer": {"spg_symbol": "Pcca"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which space group symbol corresponds to space group number {}?"}
{"question": "How many elements are present in the compound with the formula Lu1S2?", "refer_dataset": "table31", "column names": ["0", "3"], "condition_column": ["0"], "answer_column": ["3"], "condition": {"0": "Lu1S2"}, "tool": "search_value", "answer": {"3": "2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many elements are present in the compound with the formula {}?"}
{"question": "Convert the Extracted Value ∼655 with Units K to Normalised Units.", "refer_dataset": "table33", "column names": ["Extracted Value", "Extracted Units", "Normalised Value"], "condition_column": ["Extracted Value", "Extracted Units"], "answer_column": ["Normalised Value"], "condition": {"Extracted Value": "∼655", "Extracted Units": "K"}, "tool": "search_value", "answer": {"Normalised Value": "∼655"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Convert the Extracted Value {} with Units {} to Normalised Units."}
{"question": "What is the bandgap (eV) of the material listed under reference [S18]?", "refer_dataset": "table4", "column names": ["Ref", "BandGap(eV)"], "condition_column": ["Ref"], "answer_column": ["BandGap(eV)"], "condition": {"Ref": "[S18]"}, "tool": "search_value", "answer": {"BandGap(eV)": "3.44"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the bandgap (eV) of the material listed under reference {}?"}
{"question": "Calculate the shear modulus for the material with formula Nb4CoSi and gap pbe value of 0.0064000000000001:", "refer_dataset": "table56", "column names": ["formula", "gap pbe", "shear modulus"], "condition_column": ["formula", "gap pbe"], "answer_column": ["shear modulus"], "condition": {"formula": "Nb4CoSi", "gap pbe": "0.0064000000000001"}, "tool": "search_value", "answer": {"shear modulus": "97.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the shear modulus for the material with formula {} and gap pbe value of {}:"}
{"question": "If the PBE0 Scharber Voc is 1.93073228, what is the PBE0 gap?", "refer_dataset": "table51", "column names": ["pbe0_scharber_voc", "pbe0_gap"], "condition_column": ["pbe0_scharber_voc"], "answer_column": ["pbe0_gap"], "condition": {"pbe0_scharber_voc": "1.93073228"}, "tool": "search_value", "answer": {"pbe0_gap": "0.224"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If the PBE0 Scharber Voc is {}, what is the PBE0 gap?"}
{"question": "Identify the carbon deficit percentage for resource type -13,2 at a furnace length of STD mm.", "refer_dataset": "table27", "column names": ["C missing(%)", "Resource", "furnace length(mm)"], "condition_column": ["C missing(%)", "Resource"], "answer_column": ["furnace length(mm)"], "condition": {"C missing(%)": "-13,2", "Resource": "STD"}, "tool": "search_value", "answer": {"furnace length(mm)": "270"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the carbon deficit percentage for resource type {} at a furnace length of {} mm."}
{"question": "Which document (DOI) contains the data for sentence number 14?", "refer_dataset": "table32", "column names": ["sentence", "doi"], "condition_column": ["sentence"], "answer_column": ["doi"], "condition": {"sentence": "14"}, "tool": "search_value", "answer": {"doi": "10.1016/j.jmmm.2019.166151"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which document (DOI) contains the data for sentence number {}?"}
{"question": "What chemical product is generated by the catalyst labeled Carbon Monoxide Dehydrogenase from Moorella thermoacetica?", "refer_dataset": "table12", "column names": ["Catalyst label", "Product"], "condition_column": ["Catalyst label"], "answer_column": ["Product"], "condition": {"Catalyst label": "Carbon Monoxide Dehydrogenase from Moorella thermoacetica"}, "tool": "search_value", "answer": {"Product": "CO"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What chemical product is generated by the catalyst labeled {}?"}
{"question": "For Composition BeH, what CH4Ead value is observed when the Dope element is H?", "refer_dataset": "table24", "column names": ["Composition", "Dope", "CH4Ead"], "condition_column": ["Composition", "Dope"], "answer_column": ["CH4Ead"], "condition": {"Composition": "BeH", "Dope": "H"}, "tool": "search_value", "answer": {"CH4Ead": "0.9920012573"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For Composition {}, what CH4Ead value is observed when the Dope element is {}?"}
{"question": "Which journal published the article with DOI 10.1016/j.electacta.2018.05.035?", "refer_dataset": "table13", "column names": ["DOI", "Journal_Name"], "condition_column": ["DOI"], "answer_column": ["Journal_Name"], "condition": {"DOI": "10.1016/j.electacta.2018.05.035"}, "tool": "search_value", "answer": {"Journal_Name": "ELECTROCHIMICA ACTA"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which journal published the article with DOI {}?"}
{"question": "What percentage of Gold (Au) is present in an HEA with Platinum (Pt) at 18.7%, Ruthenium (Ru) at 27.5%, and Onset potential of 0.508686 V?", "refer_dataset": "table15", "column names": ["Pt", "Ru", "Onset", "Au"], "condition_column": ["Pt", "Ru", "Onset"], "answer_column": ["Au"], "condition": {"Pt": "18.7", "Ru": "27.5", "Onset": "0.508686"}, "tool": "search_value", "answer": {"Au": "28.9"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What percentage of Gold (Au) is present in an HEA with Platinum (Pt) at {}%, Ruthenium (Ru) at {}%, and Onset potential of {} V?"}
{"question": "Provide the entry date (date) for the COD CIF file 1000030?", "refer_dataset": "table38", "column names": ["file", "date"], "condition_column": ["file"], "answer_column": ["date"], "condition": {"file": "1000030"}, "tool": "search_value", "answer": {"date": "2020/10/21"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the entry date (date) for the COD CIF file {}?"}
{"question": "What is the total energy after optimization (final_energy) for a system where the OptB88-vdW bandgap is -137.42710336?", "refer_dataset": "table52", "column names": ["final_energy", "optb88vdw_bandgap"], "condition_column": ["final_energy"], "answer_column": ["optb88vdw_bandgap"], "condition": {"final_energy": "-137.42710336"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "0.6234999999999999"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the total energy after optimization (final_energy) for a system where the OptB88-vdW bandgap is {}?"}
{"question": "What is the indirect band gap of the compound in the '/rk2/knc6/UniveralTB/julia_data/Li_kspace/POSCAR_As_221_vnscf_vol_1' source folder with a space group number of 221 and 2 atoms?", "refer_dataset": "table59", "column names": ["source_folder", "spacegroup_number", "natoms", "indir_gap"], "condition_column": ["source_folder", "spacegroup_number", "natoms"], "answer_column": ["indir_gap"], "condition": {"source_folder": "'/rk2/knc6/UniveralTB/julia_data/Li_kspace/POSCAR_As_221_vnscf_vol_1'", "spacegroup_number": "221", "natoms": "2"}, "tool": "search_value", "answer": {"indir_gap": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the indirect band gap of the compound in the {} source folder with a space group number of {} and {} atoms?"}
{"question": "At what calcination temperature (K) was a reaction solution of 423.0 used?", "refer_dataset": "table1", "column names": ["Calcination temperature(K)", "Reaction solution"], "condition_column": ["Calcination temperature(K)"], "answer_column": ["Reaction solution"], "condition": {"Calcination temperature(K)": "423.0"}, "tool": "search_value", "answer": {"Reaction solution": "20% v/v CH3OH"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "At what calcination temperature (K) was a reaction solution of {} used?"}
{"question": "Determine the atomic number of element E if material volume is 68.0188498248 ų, lattice parameter is 4.0820322165 Å, and element D is H.", "refer_dataset": "table22", "column names": ["Volume", "Lattice", "D", "E_AtomN"], "condition_column": ["Volume", "Lattice", "D"], "answer_column": ["E_AtomN"], "condition": {"Volume": "68.0188498248", "Lattice": "4.0820322165", "D": "H"}, "tool": "search_value", "answer": {"E_AtomN": "8"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the atomic number of element E if material volume is {} ų, lattice parameter is {} Å, and element D is {}."}
{"question": "What is the oxygen partial pressure (Po2) required for a process temperature of 720°C, argon partial pressure (Par) of 0.5, and data source type Literature?", "refer_dataset": "table28", "column names": ["Temperature", "Par", "Type", "Po2"], "condition_column": ["Temperature", "Par", "Type"], "answer_column": ["Po2"], "condition": {"Temperature": "720", "Par": "0.5", "Type": "Literature"}, "tool": "search_value", "answer": {"Po2": "0.1"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the oxygen partial pressure (Po2) required for a process temperature of {}°C, argon partial pressure (Par) of {}, and data source type {}?"}
{"question": "What is the unique entry ID for the material with bulk energy -166.64562 and formation energy 1.41749?", "refer_dataset": "table68", "column names": ["bulk_energy", "ef", "id"], "condition_column": ["bulk_energy", "ef"], "answer_column": ["id"], "condition": {"bulk_energy": "-166.64562", "ef": "1.41749"}, "tool": "search_value", "answer": {"id": "JVASP-14603_As_c"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unique entry ID for the material with bulk energy {} and formation energy {}?"}
{"question": "What is the delta_e for a material with entry ID 472980.0 and a band gap of 0.0?", "refer_dataset": "table57", "column names": ["_oqmd_entry_id", "_oqmd_band_gap", "_oqmd_delta_e"], "condition_column": ["_oqmd_entry_id", "_oqmd_band_gap"], "answer_column": ["_oqmd_delta_e"], "condition": {"_oqmd_entry_id": "472980.0", "_oqmd_band_gap": "0.0"}, "tool": "search_value", "answer": {"_oqmd_delta_e": "0.41234490060345"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the delta_e for a material with entry ID {} and a band gap of {}?"}
{"question": "Identify the tertiary element in the A site of the material composition Ba1Sr7V8O24.", "refer_dataset": "table35", "column names": ["Material Composition", "A site #3"], "condition_column": ["Material Composition"], "answer_column": ["A site #3"], "condition": {"Material Composition": "Ba1Sr7V8O24"}, "tool": "search_value", "answer": {"A site #3": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the tertiary element in the A site of the material composition {}."}
{"question": "What is the CH3Ead for the Composition BeLi?", "refer_dataset": "table24", "column names": ["Composition", "CH3Ead"], "condition_column": ["Composition"], "answer_column": ["CH3Ead"], "condition": {"Composition": "BeLi"}, "tool": "search_value", "answer": {"CH3Ead": "-0.0034702471"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CH3Ead for the Composition {}?"}
{"question": "For the material with ID mp-10003, what is its stability (e_hull) metric?", "refer_dataset": "table54", "column names": ["id", "e_hull"], "condition_column": ["id"], "answer_column": ["e_hull"], "condition": {"id": "mp-10003"}, "tool": "search_value", "answer": {"e_hull": "0.019272106249998"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with ID {}, what is its stability (e_hull) metric?"}
{"question": "Identify materials where GGA_optical < HSE_optical by more than 1.137147 eV, while exhibiting 2.166236 magnetic state.", "refer_dataset": "table63", "column names": ["Band_gap_GGA_optical", "Band_gap_HSE_optical", "Magnetic_ordering"], "condition_column": ["Band_gap_GGA_optical", "Band_gap_HSE_optical"], "answer_column": ["Magnetic_ordering"], "condition": {"Band_gap_GGA_optical": "1.137147", "Band_gap_HSE_optical": "2.166236"}, "tool": "search_value", "answer": {"Magnetic_ordering": "NM"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify materials where GGA_optical < HSE_optical by more than {} eV, while exhibiting {} magnetic state."}
{"question": "Determine the Primary dense phase material (Dense1) at a Germanium molar ratio (Ge) of quartz, ITQ zeolite presence (ITQ) of 1.499, and Reaction duration (Time) of no hours.", "refer_dataset": "table40", "column names": ["Dense1", "Ge", "ITQ", "Time"], "condition_column": ["Dense1", "Ge", "ITQ"], "answer_column": ["Time"], "condition": {"Dense1": "quartz", "Ge": "1.499", "ITQ": "no"}, "tool": "search_value", "answer": {"Time": "336.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the Primary dense phase material (Dense1) at a Germanium molar ratio (Ge) of {}, ITQ zeolite presence (ITQ) of {}, and Reaction duration (Time) of {} hours."}
{"question": "Report the total magnetization for the compound with ICSD ID [657422].", "refer_dataset": "table55", "column names": ["icsd_ids", "total_magnetization"], "condition_column": ["icsd_ids"], "answer_column": ["total_magnetization"], "condition": {"icsd_ids": "[657422]"}, "tool": "search_value", "answer": {"total_magnetization": "0.01972735"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the total magnetization for the compound with ICSD ID {}."}
{"question": "Which reference (Ref) documents a hydrogen production rate of [37] µmol h-1 g-1?", "refer_dataset": "table1", "column names": ["Ref", "RH2(µmol h-1 g-1)"], "condition_column": ["Ref"], "answer_column": ["RH2(µmol h-1 g-1)"], "condition": {"Ref": "[37]"}, "tool": "search_value", "answer": {"RH2(µmol h-1 g-1)": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which reference (Ref) documents a hydrogen production rate of {} µmol h-1 g-1?"}
{"question": "Identify the HSE decomposition energy for the material with ID Perov-9.", "refer_dataset": "table49", "column names": ["id", "HSE_decomp_energy"], "condition_column": ["id"], "answer_column": ["HSE_decomp_energy"], "condition": {"id": "Perov-9"}, "tool": "search_value", "answer": {"HSE_decomp_energy": "-0.13"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the HSE decomposition energy for the material with ID {}."}
{"question": "What is the initial concentration (mg/L) of n-Nitrosodimethylamine tested with nanoparticle dose 2.5 g/L?", "refer_dataset": "table9", "column names": ["OC", "D, g/L", "C0, mg/L"], "condition_column": ["OC", "D, g/L"], "answer_column": ["C0, mg/L"], "condition": {"OC": "n-Nitrosodimethylamine", "D, g/L": "2.5"}, "tool": "search_value", "answer": {"C0, mg/L": "2.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the initial concentration (mg/L) of {} tested with nanoparticle dose {} g/L?"}
{"question": "Determine the optimal solvent percentage for Ca ion 179 mM, CO3 ion 0 mM, and stirring speed 0 rpm.", "refer_dataset": "table42", "column names": ["Ca ion, mM", "CO3 ion, mM", "Stirring, rpm", "Solvent, % vol."], "condition_column": ["Ca ion, mM", "CO3 ion, mM", "Stirring, rpm"], "answer_column": ["Solvent, % vol."], "condition": {"Ca ion, mM": "179", "CO3 ion, mM": "0", "Stirring, rpm": "0"}, "tool": "search_value", "answer": {"Solvent, % vol.": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the optimal solvent percentage for Ca ion {} mM, CO3 ion {} mM, and stirring speed {} rpm."}
{"question": "What carbonate ion (CO3) concentration occurs when bicarbonate (HCO3) is 243 mM?", "refer_dataset": "table42", "column names": ["HCO3 ion, mM", "CO3 ion, mM"], "condition_column": ["HCO3 ion, mM"], "answer_column": ["CO3 ion, mM"], "condition": {"HCO3 ion, mM": "243"}, "tool": "search_value", "answer": {"CO3 ion, mM": "82"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What carbonate ion (CO3) concentration occurs when bicarbonate (HCO3) is {} mM?"}
{"question": "What is the solution concentration recorded for the compound [Pc2Tb]TBA:[Pc2Y]TBA = 1/4?", "refer_dataset": "table34", "column names": ["compound", "concentration"], "condition_column": ["compound"], "answer_column": ["concentration"], "condition": {"compound": "[Pc2Tb]TBA:[Pc2Y]TBA = 1/4"}, "tool": "search_value", "answer": {"concentration": "20.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the solution concentration recorded for the compound {}?"}
{"question": "If the A-site oxygen property is 2.86125, B-site s-orbital unfilled range is 0, and Goldschmidt TF is 1.02182286751, what is the A_B ratio?", "refer_dataset": "table37", "column names": ["A_O", "Bsite_NsUnfilled_range", "goldschmidt_TF", "A_B"], "condition_column": ["A_O", "Bsite_NsUnfilled_range", "goldschmidt_TF"], "answer_column": ["A_B"], "condition": {"A_O": "2.86125", "Bsite_NsUnfilled_range": "0", "goldschmidt_TF": "1.02182286751"}, "tool": "search_value", "answer": {"A_B": "2.04125"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If the A-site oxygen property is {}, B-site s-orbital unfilled range is {}, and Goldschmidt TF is {}, what is the A_B ratio?"}
{"question": "Determine the electronic contribution to the dielectric constant (diel_elec) for the material where the source is 3.13586 and the band gap energy calculated with HSE is Huan_etal:SciDat(submitted) eV.", "refer_dataset": "table58", "column names": ["diel_elec", "src", "hse_gap"], "condition_column": ["diel_elec", "src"], "answer_column": ["hse_gap"], "condition": {"diel_elec": "3.13586", "src": "Huan_etal:SciDat(submitted)"}, "tool": "search_value", "answer": {"hse_gap": "5.5798"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the electronic contribution to the dielectric constant (diel_elec) for the material where the source is {} and the band gap energy calculated with HSE is {} eV."}
{"question": "What is the chemical formula for the material containing the element -Cd?", "refer_dataset": "table53", "column names": ["search", "formula"], "condition_column": ["search"], "answer_column": ["formula"], "condition": {"search": "-Cd"}, "tool": "search_value", "answer": {"formula": "Cd"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula for the material containing the element {}?"}
{"question": "How many hours does each testing cycle last for the perovskite referenced as [A104]?", "refer_dataset": "table5", "column names": ["Ref", "Duration of cycles (h)"], "condition_column": ["Ref"], "answer_column": ["Duration of cycles (h)"], "condition": {"Ref": "[A104]"}, "tool": "search_value", "answer": {"Duration of cycles (h)": "2.5"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many hours does each testing cycle last for the perovskite referenced as {}?"}
{"question": "For a molecule with primary vibrational frequency (omega1) of -1.40792992183875 and Gibbs free energy (G) of 4.91457211979801, what is its optimized structure (SMILES_relaxed)?", "refer_dataset": "table61", "column names": ["omega1", "G", "SMILES_relaxed"], "condition_column": ["omega1", "G"], "answer_column": ["SMILES_relaxed"], "condition": {"omega1": "-1.40792992183875", "G": "4.91457211979801"}, "tool": "search_value", "answer": {"SMILES_relaxed": "CC#N"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a molecule with primary vibrational frequency (omega1) of {} and Gibbs free energy (G) of {}, what is its optimized structure (SMILES_relaxed)?"}
{"question": "Retrieve the stability metric for the material with entry ID 472985.0 and delta_e value of 0.405690829361882.", "refer_dataset": "table57", "column names": ["_oqmd_entry_id", "_oqmd_delta_e", "_oqmd_stability"], "condition_column": ["_oqmd_entry_id", "_oqmd_delta_e"], "answer_column": ["_oqmd_stability"], "condition": {"_oqmd_entry_id": "472985.0", "_oqmd_delta_e": "0.405690829361882"}, "tool": "search_value", "answer": {"_oqmd_stability": "0.405690829361882"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the stability metric for the material with entry ID {} and delta_e value of {}."}
{"question": "What is the secondary element listed in the A site for material Ba2Ca6Fe8O24?", "refer_dataset": "table35", "column names": ["Material Composition", "A site #2"], "condition_column": ["Material Composition"], "answer_column": ["A site #2"], "condition": {"Material Composition": "Ba2Ca6Fe8O24"}, "tool": "search_value", "answer": {"A site #2": "Ca"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary element listed in the A site for material {}?"}
{"question": "What is the oxygen conversion percentage with a resource type of 61,3?", "refer_dataset": "table27", "column names": ["O2 Conv(%)", "Resource"], "condition_column": ["O2 Conv(%)"], "answer_column": ["Resource"], "condition": {"O2 Conv(%)": "61,3"}, "tool": "search_value", "answer": {"Resource": "Refernce"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the oxygen conversion percentage with a resource type of {}?"}
{"question": "What conversion yield (C2y) is achieved when the primary metal (M1) is Y, secondary metal (M2) is Ba, and process temperature is 850°C?", "refer_dataset": "table28", "column names": ["M1", "M2", "Temperature", "C2y"], "condition_column": ["M1", "M2", "Temperature"], "answer_column": ["C2y"], "condition": {"M1": "Y", "M2": "Ba", "Temperature": "850"}, "tool": "search_value", "answer": {"C2y": "13.7"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What conversion yield (C2y) is achieved when the primary metal (M1) is {}, secondary metal (M2) is {}, and process temperature is {}°C?"}
{"question": "What is the OER warning indicator status for the article with DOI 10.1016/j.apsusc.2019.143710?", "refer_dataset": "table13", "column names": ["DOI", "Warning_OER.1"], "condition_column": ["DOI"], "answer_column": ["Warning_OER.1"], "condition": {"DOI": "10.1016/j.apsusc.2019.143710"}, "tool": "search_value", "answer": {"Warning_OER.1": "0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the OER warning indicator status for the article with DOI {}?"}
{"question": "Which chemical formula has a formula_energy value of Ho?", "refer_dataset": "table64", "column names": ["formula", "formula_energy"], "condition_column": ["formula"], "answer_column": ["formula_energy"], "condition": {"formula": "Ho"}, "tool": "search_value", "answer": {"formula_energy": "1.76605087946e-09"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which chemical formula has a formula_energy value of {}?"}
{"question": "Which primary metal (M1) is used with the support material Ta?", "refer_dataset": "table28", "column names": ["Support", "M1"], "condition_column": ["Support"], "answer_column": ["M1"], "condition": {"Support": "Ta"}, "tool": "search_value", "answer": {"M1": "K"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which primary metal (M1) is used with the support material {}?"}
{"question": "What overpotential (V) is required for the catalyst Ag in IL to function?", "refer_dataset": "table12", "column names": ["Catalyst label", "overpotential V"], "condition_column": ["Catalyst label"], "answer_column": ["overpotential V"], "condition": {"Catalyst label": "Ag in IL"}, "tool": "search_value", "answer": {"overpotential V": "0.174"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What overpotential (V) is required for the catalyst {} to function?"}
{"question": "What is the largest cavity diameter of an MOF with minimum adsorption 0.0145724, void fraction 0.8533609999999999, and pressure [0.01, 0.05, 0.1, 0.5, 2.5] bar?", "refer_dataset": "table50", "column names": ["min_co2_adsp", "void_fraction", "co2_pressures", "lcd"], "condition_column": ["min_co2_adsp", "void_fraction", "co2_pressures"], "answer_column": ["lcd"], "condition": {"min_co2_adsp": "0.0145724", "void_fraction": "0.8533609999999999", "co2_pressures": "[0.01, 0.05, 0.1, 0.5, 2.5]"}, "tool": "search_value", "answer": {"lcd": "13.75"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the largest cavity diameter of an MOF with minimum adsorption {}, void fraction {}, and pressure {} bar?"}
{"question": "What perovskite has a value of -0.01478 in feature 17 and a similarity score of 0.304995?", "refer_dataset": "table14", "column names": ["17", "similarity", "Perovskite"], "condition_column": ["17", "similarity"], "answer_column": ["Perovskite"], "condition": {"17": "-0.01478", "similarity": "0.304995"}, "tool": "search_value", "answer": {"Perovskite": "SrIrO3"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What perovskite has a value of {} in feature 17 and a similarity score of {}?"}
{"question": "Retrieve the stability metric for the material with entry ID 472977.0 and delta_e value of 0.143944374353451.", "refer_dataset": "table57", "column names": ["_oqmd_entry_id", "_oqmd_delta_e", "_oqmd_stability"], "condition_column": ["_oqmd_entry_id", "_oqmd_delta_e"], "answer_column": ["_oqmd_stability"], "condition": {"_oqmd_entry_id": "472977.0", "_oqmd_delta_e": "0.143944374353451"}, "tool": "search_value", "answer": {"_oqmd_stability": "0.278266617454982"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the stability metric for the material with entry ID {} and delta_e value of {}."}
{"question": "What is the final energy (final_energy) for surface structure Surface-JVASP-1750_miller_1_1_0_thickness_16_VASP_PBE_noDP when composed of material ErSbPd and having a Fermi energy level of 1.88141586?", "refer_dataset": "table66", "column names": ["name", "formula", "efermi", "final_energy"], "condition_column": ["name", "formula", "efermi"], "answer_column": ["final_energy"], "condition": {"name": "Surface-JVASP-1750_miller_1_1_0_thickness_16_VASP_PBE_noDP", "formula": "ErSbPd", "efermi": "1.88141586"}, "tool": "search_value", "answer": {"final_energy": "-104.08771184"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the final energy (final_energy) for surface structure {} when composed of material {} and having a Fermi energy level of {}?"}
{"question": "Determine the space group number for the material stored at extra/batch-4000/Ac/Ac/xxx_02a-00_agm005268319_spg166?", "refer_dataset": "table44", "column names": ["location", "spg"], "condition_column": ["location"], "answer_column": ["spg"], "condition": {"location": "extra/batch-4000/Ac/Ac/xxx_02a-00_agm005268319_spg166"}, "tool": "search_value", "answer": {"spg": "166"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the space group number for the material stored at {}?"}
{"question": "What is the band gap of the material composed of elements ['In', 'Pd', 'Pr']?", "refer_dataset": "table55", "column names": ["elements", "band_gap"], "condition_column": ["elements"], "answer_column": ["band_gap"], "condition": {"elements": "['In', 'Pd', 'Pr']"}, "tool": "search_value", "answer": {"band_gap": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band gap of the material composed of elements {}?"}
{"question": "Find the ionic radius (Å) for the element with atomic number 1.9.", "refer_dataset": "table36", "column names": ["Atomic Radius (Å)", "Ionic Radius (angstroms)"], "condition_column": ["Atomic Radius (Å)"], "answer_column": ["Ionic Radius (angstroms)"], "condition": {"Atomic Radius (Å)": "1.9"}, "tool": "search_value", "answer": {"Ionic Radius (angstroms)": "1.02"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the ionic radius (Å) for the element with atomic number {}."}
{"question": "What is the tertiary element in the B site of a compound with a primary A site element of Ba, an anion element of O, and an energy above hull of 270.007912929 meV/atom?", "refer_dataset": "table35", "column names": ["A site #1", "X site", "energy_above_hull (meV/atom)", "B site #3"], "condition_column": ["A site #1", "X site", "energy_above_hull (meV/atom)"], "answer_column": ["B site #3"], "condition": {"A site #1": "Ba", "X site": "O", "energy_above_hull (meV/atom)": "270.007912929"}, "tool": "search_value", "answer": {"B site #3": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tertiary element in the B site of a compound with a primary A site element of {}, an anion element of {}, and an energy above hull of {} meV/atom?"}
{"question": "For the optimized molecular structure C#N, what is the HOMO-LUMO energy gap (gap)?", "refer_dataset": "table61", "column names": ["SMILES_relaxed", "gap"], "condition_column": ["SMILES_relaxed"], "answer_column": ["gap"], "condition": {"SMILES_relaxed": "C#N"}, "tool": "search_value", "answer": {"gap": "2.70289805057916"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the optimized molecular structure {}, what is the HOMO-LUMO energy gap (gap)?"}
{"question": "What is the secondary anion molar percentage when the primary cation is 22.0 and the oxygen pressure is 0.084?", "refer_dataset": "table20", "column names": ["Cation1", "O2-pressure", "Anion2-mol"], "condition_column": ["Cation1", "O2-pressure"], "answer_column": ["Anion2-mol"], "condition": {"Cation1": "22.0", "O2-pressure": "0.084"}, "tool": "search_value", "answer": {"Anion2-mol": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary anion molar percentage when the primary cation is {} and the oxygen pressure is {}?"}
{"question": "Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of -27.18616104125977 and heat capacity (Cv) of 10.097999572753906.", "refer_dataset": "table60", "column names": ["G", "Cv", "zpve"], "condition_column": ["G", "Cv"], "answer_column": ["zpve"], "condition": {"G": "-27.18616104125977", "Cv": "10.097999572753906"}, "tool": "search_value", "answer": {"zpve": "2.028391122817993"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of {} and heat capacity (Cv) of {}."}
{"question": "Identify the formula associated with a superconducting transition temperature of 0.1.", "refer_dataset": "table65", "column names": ["Tc", "formula"], "condition_column": ["Tc"], "answer_column": ["formula"], "condition": {"Tc": "0.1"}, "tool": "search_value", "answer": {"formula": "Ca0.31Sr0.7Ti1O3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the formula associated with a superconducting transition temperature of {}."}
{"question": "What is the activation energy (eV) for element Cu on the -211 surface with adsorbed species CH*?", "refer_dataset": "table18", "column names": ["AA", "surfaces", "ab", "activation_energy"], "condition_column": ["AA", "surfaces", "ab"], "answer_column": ["activation_energy"], "condition": {"AA": "Cu", "surfaces": "-211", "ab": "CH*"}, "tool": "search_value", "answer": {"activation_energy": "1.61"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the activation energy (eV) for element {} on the {} surface with adsorbed species {}?"}
{"question": "Retrieve the HOMO energy level for a material with LUMO energy of 2.58236050605774.", "refer_dataset": "table60", "column names": ["lumo", "homo"], "condition_column": ["lumo"], "answer_column": ["homo"], "condition": {"lumo": "2.58236050605774"}, "tool": "search_value", "answer": {"homo": "-8.789278030395508"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Retrieve the HOMO energy level for a material with LUMO energy of {}."}
{"question": "For the material with ID Perov-9, what is the tolerance factor (Tol)?", "refer_dataset": "table49", "column names": ["id", "Tol"], "condition_column": ["id"], "answer_column": ["Tol"], "condition": {"id": "Perov-9"}, "tool": "search_value", "answer": {"Tol": "0.938"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For the material with ID {}, what is the tolerance factor (Tol)?"}
{"question": "What bulk modulus corresponds to a material with gap pbe 0.0 and mu_b 6.11e-05?", "refer_dataset": "table56", "column names": ["gap pbe", "mu_b", "bulk modulus"], "condition_column": ["gap pbe", "mu_b"], "answer_column": ["bulk modulus"], "condition": {"gap pbe": "0.0", "mu_b": "6.11e-05"}, "tool": "search_value", "answer": {"bulk modulus": "131.4023301801204"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What bulk modulus corresponds to a material with gap pbe {} and mu_b {}?"}
{"question": "Calculate the fitted band gap (egap_fit) for a material with AFLOWLIB UID 15eb51e7311e995a and Bader net charges of [-1.82, -1.82, -1.82, -1.82, -0.8514, -0.8514, -0.8514, -0.8514, -0.9428, -0.9428, -0.9428, -0.9428, 1.3561, 1.3561, 1.3561, 1.3561, 1.3125, 1.3125, 1.3125, 1.3125, 1.36, 1.36, 1.36, 1.36, 1.3644, 1.3644, 1.3644, 1.3644, -1.7787, -1.7787, -1.7787, -1.7787].", "refer_dataset": "table43", "column names": ["auid", "bader_net_charges", "egap_fit"], "condition_column": ["auid", "bader_net_charges"], "answer_column": ["egap_fit"], "condition": {"auid": "15eb51e7311e995a", "bader_net_charges": "[-1.82, -1.82, -1.82, -1.82, -0.8514, -0.8514, -0.8514, -0.8514, -0.9428, -0.9428, -0.9428, -0.9428, 1.3561, 1.3561, 1.3561, 1.3561, 1.3125, 1.3125, 1.3125, 1.3125, 1.36, 1.36, 1.36, 1.36, 1.3644, 1.3644, 1.3644, 1.3644, -1.7787, -1.7787, -1.7787, -1.7787]"}, "tool": "search_value", "answer": {"egap_fit": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Calculate the fitted band gap (egap_fit) for a material with AFLOWLIB UID {} and Bader net charges of {}."}
{"question": "Provide the reference identifier for the perovskite compound Ca2Sb2O7 that has primary A site Ca and cycle3 measurement 7.4.", "refer_dataset": "table5", "column names": ["Full Name of Perovskite", "A site", "cycle3", "Ref"], "condition_column": ["Full Name of Perovskite", "A site", "cycle3"], "answer_column": ["Ref"], "condition": {"Full Name of Perovskite": "Ca2Sb2O7", "A site": "Ca", "cycle3": "7.4"}, "tool": "search_value", "answer": {"Ref": "[A75]"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Provide the reference identifier for the perovskite compound {} that has primary A site {} and cycle3 measurement {}."}
{"question": "What is the shear modulus for a material identified by ID mp-1001, which has a formation energy (e_form) of -0.7648113232533321?", "refer_dataset": "table54", "column names": ["id", "e_form", "shear modulus"], "condition_column": ["id", "e_form"], "answer_column": ["shear modulus"], "condition": {"id": "mp-1001", "e_form": "-0.7648113232533321"}, "tool": "search_value", "answer": {"shear modulus": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the shear modulus for a material identified by ID {}, which has a formation energy (e_form) of {}?"}
{"question": "What is the B-site oxygen property (B_O) of a material with an octahedral factor of 0.446071428571?", "refer_dataset": "table37", "column names": ["octahedral_factor", "B_O"], "condition_column": ["octahedral_factor"], "answer_column": ["B_O"], "condition": {"octahedral_factor": "0.446071428571"}, "tool": "search_value", "answer": {"B_O": "2.0245"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the B-site oxygen property (B_O) of a material with an octahedral factor of {}?"}
{"question": "What synthesis duration is required for polymer type PEI, surfactant type Hexadecyltrimethylammonium bromide, and temperature 46 C?", "refer_dataset": "table42", "column names": ["Polymer type", "Surfactant type", "Temperature, C", "Synthesis time"], "condition_column": ["Polymer type", "Surfactant type", "Temperature, C"], "answer_column": ["Synthesis time"], "condition": {"Polymer type": "PEI", "Surfactant type": "Hexadecyltrimethylammonium bromide", "Temperature, C": "46"}, "tool": "search_value", "answer": {"Synthesis time": "8 min 25 sec"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What synthesis duration is required for polymer type {}, surfactant type {}, and temperature {} C?"}
{"question": "What is the prototype structure identifier for the material with ID agm003157159?", "refer_dataset": "table44", "column names": ["mat_id", "prototype_id"], "condition_column": ["mat_id"], "answer_column": ["prototype_id"], "condition": {"mat_id": "agm003157159"}, "tool": "search_value", "answer": {"prototype_id": "A_18_spg225"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the prototype structure identifier for the material with ID {}?"}
{"question": "Given PBE and HSE bandgaps of 1.05 eV and 1.9 eV, what is the refractive index (Ref_ind) of the material?", "refer_dataset": "table49", "column names": ["PBE_gap", "HSE_gap", "Ref_ind"], "condition_column": ["PBE_gap", "HSE_gap"], "answer_column": ["Ref_ind"], "condition": {"PBE_gap": "1.05", "HSE_gap": "1.9"}, "tool": "search_value", "answer": {"Ref_ind": "2.32"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given PBE and HSE bandgaps of {} eV and {} eV, what is the refractive index (Ref_ind) of the material?"}
{"question": "What is the HOMO energy level (eV) of the compound with the chemical formula H2OCH3OH?", "refer_dataset": "table46", "column names": ["species", "homo"], "condition_column": ["species"], "answer_column": ["homo"], "condition": {"species": "H2OCH3OH"}, "tool": "search_value", "answer": {"homo": "-0.26909"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HOMO energy level (eV) of the compound with the chemical formula {}?"}
{"question": "How much Nickel (%) is required to achieve a gamma prime size of 79.9 nm with aging time 5.77h and aging temperature 0.25°C?", "refer_dataset": "table39", "column names": ["Ni", "γ＇相尺寸 (nm)", "时效时间t (h)", "时效温度T (℃)"], "condition_column": ["Ni", "γ＇相尺寸 (nm)", "时效时间t (h)"], "answer_column": ["时效温度T (℃)"], "condition": {"Ni": "79.9", "γ＇相尺寸 (nm)": "5.77", "时效时间t (h)": "0.25"}, "tool": "search_value", "answer": {"时效温度T (℃)": "800.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How much Nickel (%) is required to achieve a gamma prime size of {} nm with aging time {}h and aging temperature {}°C?"}
{"question": "Which substitution anion X1 accompanies primary element B Ta and surface area 9.5 m²/g?", "refer_dataset": "table4", "column names": ["B", "Surface Area(m2/g)", "X1"], "condition_column": ["B", "Surface Area(m2/g)"], "answer_column": ["X1"], "condition": {"B": "Ta", "Surface Area(m2/g)": "9.5"}, "tool": "search_value", "answer": {"X1": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which substitution anion X1 accompanies primary element B {} and surface area {} m²/g?"}
{"question": "What desorption temperature (DT) corresponds to the molecular formula LaMg0.2Cr0.8O3?", "refer_dataset": "table11", "column names": ["Molecular formulas", "DT (℃)"], "condition_column": ["Molecular formulas"], "answer_column": ["DT (℃)"], "condition": {"Molecular formulas": "LaMg0.2Cr0.8O3"}, "tool": "search_value", "answer": {"DT (℃)": "100"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What desorption temperature (DT) corresponds to the molecular formula {}?"}
{"question": "If the OptB88-vdW VBM is 6.4261 and the alignment offset is 0.8230729226123605, what is the conduction band minimum (CBM)?", "refer_dataset": "table52", "column names": ["optb88vdw_vbm", "offset", "optb88vdw_cbm"], "condition_column": ["optb88vdw_vbm", "offset"], "answer_column": ["optb88vdw_cbm"], "condition": {"optb88vdw_vbm": "6.4261", "offset": "0.8230729226123605"}, "tool": "search_value", "answer": {"optb88vdw_cbm": "6.9787"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If the OptB88-vdW VBM is {} and the alignment offset is {}, what is the conduction band minimum (CBM)?"}
{"question": "Find the HSE band gap energy (hse_gap) for the material with ID 5.5798.", "refer_dataset": "table58", "column names": ["hse_gap", "id"], "condition_column": ["hse_gap"], "answer_column": ["id"], "condition": {"hse_gap": "5.5798"}, "tool": "search_value", "answer": {"id": "657"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the HSE band gap energy (hse_gap) for the material with ID {}."}
{"question": "Determine the similarity score for the perovskite compound LaCrO3.", "refer_dataset": "table14", "column names": ["Perovskite", "similarity"], "condition_column": ["Perovskite"], "answer_column": ["similarity"], "condition": {"Perovskite": "LaCrO3"}, "tool": "search_value", "answer": {"similarity": "0.288529"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the similarity score for the perovskite compound {}."}
{"question": "What formation energy (e_form) does the material Al(CoSi)2 have if its elastic anisotropy is 0.2662496610371878?", "refer_dataset": "table56", "column names": ["formula", "elastic anisotropy", "e_form"], "condition_column": ["formula", "elastic anisotropy"], "answer_column": ["e_form"], "condition": {"formula": "Al(CoSi)2", "elastic anisotropy": "0.2662496610371878"}, "tool": "search_value", "answer": {"e_form": "-0.5368441919999996"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What formation energy (e_form) does the material {} have if its elastic anisotropy is {}?"}
{"question": "Find the total dielectric constant (diel_tot) of the entry with the unique identifier 9.89731 and processed using the 766 method.", "refer_dataset": "table58", "column names": ["diel_tot", "id", "method"], "condition_column": ["diel_tot", "id"], "answer_column": ["method"], "condition": {"diel_tot": "9.89731", "id": "766"}, "tool": "search_value", "answer": {"method": "minima-hopping"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the total dielectric constant (diel_tot) of the entry with the unique identifier {} and processed using the {} method."}
{"question": "Find the internal energy (U) for a sample that has a statistical correlation coefficient (R²) of -4.17298880451383 and a heat capacity (Cv) of -6.29834488537368.", "refer_dataset": "table61", "column names": ["R2", "Cv", "U"], "condition_column": ["R2", "Cv"], "answer_column": ["U"], "condition": {"R2": "-4.17298880451383", "Cv": "-6.29834488537368"}, "tool": "search_value", "answer": {"U": "6.46228747900917"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the internal energy (U) for a sample that has a statistical correlation coefficient (R²) of {} and a heat capacity (Cv) of {}."}
{"question": "Identify the material ID linked to a total energy per atom of -5.516883573333334.", "refer_dataset": "table67", "column names": ["energy_per_atom", "material_id"], "condition_column": ["energy_per_atom"], "answer_column": ["material_id"], "condition": {"energy_per_atom": "-5.516883573333334"}, "tool": "search_value", "answer": {"material_id": "2dm-7"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the material ID linked to a total energy per atom of {}."}
{"question": "What is the formation energy for the compound formula Ba2La6Cr8O24?", "refer_dataset": "table37", "column names": ["Material Composition", "Formation_energy"], "condition_column": ["Material Composition"], "answer_column": ["Formation_energy"], "condition": {"Material Composition": "Ba2La6Cr8O24"}, "tool": "search_value", "answer": {"Formation_energy": "-2.24433647933"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy for the compound formula {}?"}
{"question": "Which catalyst support material is used when the C₂ yield is 1.8%?", "refer_dataset": "table23", "column names": ["C2 yield (%)", "Support"], "condition_column": ["C2 yield (%)"], "answer_column": ["Support"], "condition": {"C2 yield (%)": "1.8"}, "tool": "search_value", "answer": {"Support": "Al2O3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which catalyst support material is used when the C₂ yield is {}%?"}
{"question": "What reaction type is associated with the catalyst with metal ratio Ni:Fe=2:3?", "refer_dataset": "table29", "column names": ["MetalRatio", "ReactionType"], "condition_column": ["MetalRatio"], "answer_column": ["ReactionType"], "condition": {"MetalRatio": "Ni:Fe=2:3"}, "tool": "search_value", "answer": {"ReactionType": "methanation"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What reaction type is associated with the catalyst with metal ratio {}?"}
{"question": "Find the Platinum (Pt) content in the HEA alloy where Gold (Au) is 30.4%, and Onset potential is 0.508686 V.", "refer_dataset": "table15", "column names": ["Au", "Onset", "Pt"], "condition_column": ["Au", "Onset"], "answer_column": ["Pt"], "condition": {"Au": "30.4", "Onset": "0.508686"}, "tool": "search_value", "answer": {"Pt": "18.6"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Platinum (Pt) content in the HEA alloy where Gold (Au) is {}%, and Onset potential is {} V."}
{"question": "What is the magnetic moment (from OSZICAR) for the material with space group number 54?", "refer_dataset": "table48", "column names": ["spg_number", "magmom_oszicar"], "condition_column": ["spg_number"], "answer_column": ["magmom_oszicar"], "condition": {"spg_number": "54"}, "tool": "search_value", "answer": {"magmom_oszicar": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the magnetic moment (from OSZICAR) for the material with space group number {}?"}
{"question": "What is the HM symbol for the compound with the abbreviation Gd2Pt4?", "refer_dataset": "table31", "column names": ["1", "9"], "condition_column": ["1"], "answer_column": ["9"], "condition": {"1": "Gd2Pt4"}, "tool": "search_value", "answer": {"9": "Fd-3m"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the HM symbol for the compound with the abbreviation {}?"}
{"question": "What is the radius of element B (Rb) for composition Sr0.9La0.1Ti0.9Cr0.1O3 with a tolerance factor (t) of 0.879 and electronegativity of B (χpb) 1.55?", "refer_dataset": "table2", "column names": ["Materials", "t", "χpb", "Rb"], "condition_column": ["Materials", "t", "χpb"], "answer_column": ["Rb"], "condition": {"Materials": "Sr0.9La0.1Ti0.9Cr0.1O3", "t": "0.879", "χpb": "1.55"}, "tool": "search_value", "answer": {"Rb": "66.45"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the radius of element B (Rb) for composition {} with a tolerance factor (t) of {} and electronegativity of B (χpb) {}?"}
{"question": "What is the abstract of the paper titled From dyadic $\\Lambda_{\\alpha}$ to $\\Lambda_{\\alpha}$, submitted by Alberto Torchinsky?", "refer_dataset": "table45", "column names": ["title", "submitter", "abstract"], "condition_column": ["title", "submitter"], "answer_column": ["abstract"], "condition": {"title": "From dyadic $\\Lambda_{\\alpha}$ to $\\Lambda_{\\alpha}$", "submitter": "Alberto Torchinsky"}, "tool": "search_value", "answer": {"abstract": "  In this paper we show how to compute the $\\Lambda_{\\alpha}$ norm, $\\alpha\\ge\n0$, using the dyadic grid. This result is a consequence of the description of\nthe Hardy spaces $H^p(R^N)$ in terms of dyadic and special atoms.\n"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the abstract of the paper titled {}, submitted by {}?"}
{"question": "Which space group is assigned to the material with the chemical formula TiO4?", "refer_dataset": "table53", "column names": ["formula", "spg"], "condition_column": ["formula"], "answer_column": ["spg"], "condition": {"formula": "TiO4"}, "tool": "search_value", "answer": {"spg": "P1"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Which space group is assigned to the material with the chemical formula {}?"}
{"question": "What is the band gap of materials with a thermodynamic stability metric of 0.22691826560345?", "refer_dataset": "table57", "column names": ["_oqmd_stability", "_oqmd_band_gap"], "condition_column": ["_oqmd_stability"], "answer_column": ["_oqmd_band_gap"], "condition": {"_oqmd_stability": "0.22691826560345"}, "tool": "search_value", "answer": {"_oqmd_band_gap": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the band gap of materials with a thermodynamic stability metric of {}?"}
{"question": "Determine the similarity score for the perovskite compound BaRuO3.", "refer_dataset": "table14", "column names": ["Perovskite", "similarity"], "condition_column": ["Perovskite"], "answer_column": ["similarity"], "condition": {"Perovskite": "BaRuO3"}, "tool": "search_value", "answer": {"similarity": "0.305399"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the similarity score for the perovskite compound {}."}
{"question": "What perovskite corresponds to a similarity score of LaNiO3?", "refer_dataset": "table14", "column names": ["Perovskite", "similarity"], "condition_column": ["Perovskite"], "answer_column": ["similarity"], "condition": {"Perovskite": "LaNiO3"}, "tool": "search_value", "answer": {"similarity": "0.314692"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What perovskite corresponds to a similarity score of {}?"}
{"question": "What is the cycle1 measurement for perovskites with primary A site H, secondary B2 site Nb, and cycle duration of 3.0 hours?", "refer_dataset": "table5", "column names": ["A site", "B2 site", "Duration of cycles (h)", "cycle1"], "condition_column": ["A site", "B2 site", "Duration of cycles (h)"], "answer_column": ["cycle1"], "condition": {"A site": "H", "B2 site": "Nb", "Duration of cycles (h)": "3.0"}, "tool": "search_value", "answer": {"cycle1": "400"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the cycle1 measurement for perovskites with primary A site {}, secondary B2 site {}, and cycle duration of {} hours?"}
{"question": "What is the electronic dielectric constant (diel_elec) for the material with label 3.12844 and unit cell volume Cd-based_polymer cubic angstroms?", "refer_dataset": "table58", "column names": ["diel_elec", "label", "vol"], "condition_column": ["diel_elec", "label"], "answer_column": ["vol"], "condition": {"diel_elec": "3.12844", "label": "Cd-based_polymer"}, "tool": "search_value", "answer": {"vol": "134.419"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic dielectric constant (diel_elec) for the material with label {} and unit cell volume {} cubic angstroms?"}
{"question": "Determine the formation energy (e_form) for the material with stability (e_hull) 0.1074050600000005 and magnetic moment (mu_b) -2.7000000000000004e-06.", "refer_dataset": "table54", "column names": ["e_hull", "mu_b", "e_form"], "condition_column": ["e_hull", "mu_b"], "answer_column": ["e_form"], "condition": {"e_hull": "0.1074050600000005", "mu_b": "-2.7000000000000004e-06"}, "tool": "search_value", "answer": {"e_form": "0.1074050600000005"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the formation energy (e_form) for the material with stability (e_hull) {} and magnetic moment (mu_b) {}."}
{"question": "What is the oxygen conversion percentage with a resource type of 72,1?", "refer_dataset": "table27", "column names": ["O2 Conv(%)", "Resource"], "condition_column": ["O2 Conv(%)"], "answer_column": ["Resource"], "condition": {"O2 Conv(%)": "72,1"}, "tool": "search_value", "answer": {"Resource": "Refernce"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the oxygen conversion percentage with a resource type of {}?"}
{"question": "What is the C2 production yield at a methane conversion percentage of 18,8%?", "refer_dataset": "table27", "column names": ["C2 yield(%)", "CH4 Conv(%)"], "condition_column": ["C2 yield(%)"], "answer_column": ["CH4 Conv(%)"], "condition": {"C2 yield(%)": "18,8"}, "tool": "search_value", "answer": {"CH4 Conv(%)": "33,4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the C2 production yield at a methane conversion percentage of {}%?"}
{"question": "What is the maximum elastic tensor component for materials with functional OptB88vdW and space group number 113?", "refer_dataset": "table48", "column names": ["func", "spg_number", "elastic_tensor"], "condition_column": ["func", "spg_number"], "answer_column": ["elastic_tensor"], "condition": {"func": "OptB88vdW", "spg_number": "113"}, "tool": "search_value", "answer": {"elastic_tensor": "na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the maximum elastic tensor component for materials with functional {} and space group number {}?"}
{"question": "Determine the CO2 yield percentage for M1 element 11,3 and support material Na at a furnace length of SiO2 mm.", "refer_dataset": "table27", "column names": ["CO2 yield(%)", "M1", "Support", "furnace length(mm)"], "condition_column": ["CO2 yield(%)", "M1", "Support"], "answer_column": ["furnace length(mm)"], "condition": {"CO2 yield(%)": "11,3", "M1": "Na", "Support": "SiO2"}, "tool": "search_value", "answer": {"furnace length(mm)": "270"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the CO2 yield percentage for M1 element {} and support material {} at a furnace length of {} mm."}
{"question": "In which year range was the compound [Pc2Yb]TBA studied?", "refer_dataset": "table34", "column names": ["compound", "year"], "condition_column": ["compound"], "answer_column": ["year"], "condition": {"compound": "[Pc2Yb]TBA"}, "tool": "search_value", "answer": {"year": "2003-2010"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "In which year range was the compound {} studied?"}
{"question": "What is the weight percentage of metal loading in the catalyst titled \"NiCo(9:1)/Al2O3Active\"?", "refer_dataset": "table29", "column names": ["title", "WeigthMetalLoading"], "condition_column": ["title"], "answer_column": ["WeigthMetalLoading"], "condition": {"title": "NiCo(9:1)/Al2O3Active"}, "tool": "search_value", "answer": {"WeigthMetalLoading": "nodata"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the weight percentage of metal loading in the catalyst titled \"{}\"?"}
{"question": "What is the electron affinity of element A (EAa) when composition SrSnO3 has a bandgap (Eg) of 4.01 eV and density of A (ρa) is 2.64?", "refer_dataset": "table2", "column names": ["Materials", "Eg(eV)", "ρa", "EAa"], "condition_column": ["Materials", "Eg(eV)", "ρa"], "answer_column": ["EAa"], "condition": {"Materials": "SrSnO3", "Eg(eV)": "4.01", "ρa": "2.64"}, "tool": "search_value", "answer": {"EAa": "4.7"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electron affinity of element A (EAa) when composition {} has a bandgap (Eg) of {} eV and density of A (ρa) is {}?"}
{"question": "Find the feature 20 value associated with SrIrO3 perovskite.", "refer_dataset": "table14", "column names": ["Perovskite", "20"], "condition_column": ["Perovskite"], "answer_column": ["20"], "condition": {"Perovskite": "SrIrO3"}, "tool": "search_value", "answer": {"20": "0.18403"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the feature 20 value associated with {} perovskite."}
{"question": "Report the surface conduction band minimum (surf_cbm) of surface structure Surface-JVASP-1699_miller_1_1_0_thickness_16_VASP_PBE_noDP.", "refer_dataset": "table66", "column names": ["name", "surf_cbm"], "condition_column": ["name"], "answer_column": ["surf_cbm"], "condition": {"name": "Surface-JVASP-1699_miller_1_1_0_thickness_16_VASP_PBE_noDP"}, "tool": "search_value", "answer": {"surf_cbm": "2.8125"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Report the surface conduction band minimum (surf_cbm) of surface structure {}."}
{"question": "What is the unique identifier for the material composed of Re0.1W0.9 and exhibiting a Tc of 0.0?", "refer_dataset": "table65", "column names": ["formula", "Tc", "id"], "condition_column": ["formula", "Tc"], "answer_column": ["id"], "condition": {"formula": "Re0.1W0.9", "Tc": "0.0"}, "tool": "search_value", "answer": {"id": "7"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the unique identifier for the material composed of {} and exhibiting a Tc of {}?"}
{"question": "What is the secondary metal component (M2) for catalysts with primary metal atom count (M1_atom_number) of 25, support identifier (Support_ID) 4, and CO2 selectivity (CO2s) of 5.0?", "refer_dataset": "table17", "column names": ["M1_atom_number", "Support_ID", "CO2s", "M2"], "condition_column": ["M1_atom_number", "Support_ID", "CO2s"], "answer_column": ["M2"], "condition": {"M1_atom_number": "25", "Support_ID": "4", "CO2s": "5.0"}, "tool": "search_value", "answer": {"M2": "Na"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the secondary metal component (M2) for catalysts with primary metal atom count (M1_atom_number) of {}, support identifier (Support_ID) {}, and CO2 selectivity (CO2s) of {}?"}
{"question": "Given a valence band maximum (VBM) of 5.0019 and a band alignment offset of -0.1592672289933379, what is the OptB88-vdW bandgap?", "refer_dataset": "table52", "column names": ["optb88vdw_vbm", "offset", "optb88vdw_bandgap"], "condition_column": ["optb88vdw_vbm", "offset"], "answer_column": ["optb88vdw_bandgap"], "condition": {"optb88vdw_vbm": "5.0019", "offset": "-0.1592672289933379"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "-0.4756"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a valence band maximum (VBM) of {} and a band alignment offset of {}, what is the OptB88-vdW bandgap?"}
{"question": "How many distinct elements are in the material with composition Ba2Gd6Fe8O24?", "refer_dataset": "table35", "column names": ["Material Composition", "Number of elements"], "condition_column": ["Material Composition"], "answer_column": ["Number of elements"], "condition": {"Material Composition": "Ba2Gd6Fe8O24"}, "tool": "search_value", "answer": {"Number of elements": "4"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How many distinct elements are in the material with composition {}?"}
{"question": "Find the total dielectric constant (diel_tot) of the entry with the unique identifier 6.87059 and processed using the 657 method.", "refer_dataset": "table58", "column names": ["diel_tot", "id", "method"], "condition_column": ["diel_tot", "id"], "answer_column": ["method"], "condition": {"diel_tot": "6.87059", "id": "657"}, "tool": "search_value", "answer": {"method": "minima-hopping"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the total dielectric constant (diel_tot) of the entry with the unique identifier {} and processed using the {} method."}
{"question": "Given a valence band maximum (VBM) of 6.1195 and a band alignment offset of 0.5978046988467991, what is the OptB88-vdW bandgap?", "refer_dataset": "table52", "column names": ["optb88vdw_vbm", "offset", "optb88vdw_bandgap"], "condition_column": ["optb88vdw_vbm", "offset"], "answer_column": ["optb88vdw_bandgap"], "condition": {"optb88vdw_vbm": "6.1195", "offset": "0.5978046988467991"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "-0.6938999999999993"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Given a valence band maximum (VBM) of {} and a band alignment offset of {}, what is the OptB88-vdW bandgap?"}
{"question": "What substrate(s) are used in the reaction catalyzed by \"12,7%NiPt(1:1)/Al2O3Active\" titled catalyst?", "refer_dataset": "table29", "column names": ["title", "Substrates"], "condition_column": ["title"], "answer_column": ["Substrates"], "condition": {"title": "12,7%NiPt(1:1)/Al2O3Active"}, "tool": "search_value", "answer": {"Substrates": "CO2,H2"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What substrate(s) are used in the reaction catalyzed by \"{}\" titled catalyst?"}
{"question": "What is the density of element B (ρb) for materials with RH2 = 325.4 µmol h-1 g-1 and molar mass (M) = 211.88 g/mol?", "refer_dataset": "table3", "column names": ["RH2(µmol h-1 g-1)", "M", "ρb"], "condition_column": ["RH2(µmol h-1 g-1)", "M"], "answer_column": ["ρb"], "condition": {"RH2(µmol h-1 g-1)": "325.4", "M": "211.88"}, "tool": "search_value", "answer": {"ρb": "4.51"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the density of element B (ρb) for materials with RH2 = {} µmol h-1 g-1 and molar mass (M) = {} g/mol?"}
{"question": "For a material with HSE decomposition energy of 0.53 eV and an electronic permittivity (Eps_elec) of 5.1, what is the PBE bandgap?", "refer_dataset": "table49", "column names": ["HSE_decomp_energy", "Eps_elec", "PBE_gap"], "condition_column": ["HSE_decomp_energy", "Eps_elec"], "answer_column": ["PBE_gap"], "condition": {"HSE_decomp_energy": "0.53", "Eps_elec": "5.1"}, "tool": "search_value", "answer": {"PBE_gap": "1.79"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a material with HSE decomposition energy of {} eV and an electronic permittivity (Eps_elec) of {}, what is the PBE bandgap?"}
{"question": "Find the HSE band gap energy (hse_gap) of the material classified as 4.2168 processed using the SnF2-based_polymer method.", "refer_dataset": "table58", "column names": ["hse_gap", "label", "method"], "condition_column": ["hse_gap", "label"], "answer_column": ["method"], "condition": {"hse_gap": "4.2168", "label": "SnF2-based_polymer"}, "tool": "search_value", "answer": {"method": "minima-hopping"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the HSE band gap energy (hse_gap) of the material classified as {} processed using the {} method."}
{"question": "What Illumination time(min) is needed for 94.0% degradation of MB at pH 7.0?", "refer_dataset": "table8", "column names": ["Degradation rate(%)", "Pollutant", "pH", "Illumination time(min)"], "condition_column": ["Degradation rate(%)", "Pollutant", "pH"], "answer_column": ["Illumination time(min)"], "condition": {"Degradation rate(%)": "94.0", "Pollutant": "MB", "pH": "7.0"}, "tool": "search_value", "answer": {"Illumination time(min)": "20"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What Illumination time(min) is needed for {}% degradation of {} at pH {}?"}
{"question": "What is the optimal methane partial pressure (Pch4) when using tertiary metal (M3) none with support material Mn at a temperature of 845°C?", "refer_dataset": "table28", "column names": ["M3", "Support", "Temperature", "Pch4"], "condition_column": ["M3", "Support", "Temperature"], "answer_column": ["Pch4"], "condition": {"M3": "none", "Support": "Mn", "Temperature": "845"}, "tool": "search_value", "answer": {"Pch4": "0.41"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the optimal methane partial pressure (Pch4) when using tertiary metal (M3) {} with support material {} at a temperature of {}°C?"}
{"question": "Determine the HOMO energy level (eV) for the compound named 5 with InChI identifier InChI=1S/CH4O3/c2-1-4-5-3/h1H,3H2.", "refer_dataset": "table46", "column names": ["name", "inchi", "homo"], "condition_column": ["name", "inchi"], "answer_column": ["homo"], "condition": {"name": "5", "inchi": "InChI=1S/CH4O3/c2-1-4-5-3/h1H,3H2"}, "tool": "search_value", "answer": {"homo": "-0.29032"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the HOMO energy level (eV) for the compound named {} with InChI identifier {}."}
{"question": "What is the CSM value reported for the molecular symmetry of compound [Pc2Yb]TBA?", "refer_dataset": "table34", "column names": ["compound", "CSM"], "condition_column": ["compound"], "answer_column": ["CSM"], "condition": {"compound": "[Pc2Yb]TBA"}, "tool": "search_value", "answer": {"CSM": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the CSM value reported for the molecular symmetry of compound {}?"}
{"question": "Where is the file stored for the material with prototype structure identifier AB4C10_73_spg87?", "refer_dataset": "table44", "column names": ["prototype_id", "location"], "condition_column": ["prototype_id"], "answer_column": ["location"], "condition": {"prototype_id": "AB4C10_73_spg87"}, "tool": "search_value", "answer": {"location": "cgat_comp_2/ternaries/AB4C10/runs/batch-001/La/LaNd4Ac10/xxx_02a-00_agm006001796_spg87"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Where is the file stored for the material with prototype structure identifier {}?"}
{"question": "If BP86 Scharber PCE is 2.018237167 and M06 Scharber Voc is 1.6314070505, what is the entry’s PBE0 HOMO?", "refer_dataset": "table51", "column names": ["bp86_scharber_pce", "m06_scharber_voc", "pbe0_homo"], "condition_column": ["bp86_scharber_pce", "m06_scharber_voc"], "answer_column": ["pbe0_homo"], "condition": {"bp86_scharber_pce": "2.018237167", "m06_scharber_voc": "1.6314070505"}, "tool": "search_value", "answer": {"pbe0_homo": "-0.198"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If BP86 Scharber PCE is {} and M06 Scharber Voc is {}, what is the entry’s PBE0 HOMO?"}
{"question": "What are the vacancy formation factors for the material with bulk energy -327.13856 and job identifier JVASP-922?", "refer_dataset": "table68", "column names": ["bulk_energy", "jid", "ff_vac"], "condition_column": ["bulk_energy", "jid"], "answer_column": ["ff_vac"], "condition": {"bulk_energy": "-327.13856", "jid": "JVASP-922"}, "tool": "search_value", "answer": {"ff_vac": ""}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What are the vacancy formation factors for the material with bulk energy {} and job identifier {}?"}
{"question": "If the A-site oxygen property is 2.8225, B-site s-orbital unfilled range is 0, and Goldschmidt TF is 0.981223643018, what is the A_B ratio?", "refer_dataset": "table37", "column names": ["A_O", "Bsite_NsUnfilled_range", "goldschmidt_TF", "A_B"], "condition_column": ["A_O", "Bsite_NsUnfilled_range", "goldschmidt_TF"], "answer_column": ["A_B"], "condition": {"A_O": "2.8225", "Bsite_NsUnfilled_range": "0", "goldschmidt_TF": "0.981223643018"}, "tool": "search_value", "answer": {"A_B": "2.0565"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "If the A-site oxygen property is {}, B-site s-orbital unfilled range is {}, and Goldschmidt TF is {}, what is the A_B ratio?"}
{"question": "What is the chemical formula of the compound with job ID JQE-207?", "refer_dataset": "table59", "column names": ["jid", "formula"], "condition_column": ["jid"], "answer_column": ["formula"], "condition": {"jid": "JQE-207"}, "tool": "search_value", "answer": {"formula": "MgF"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the chemical formula of the compound with job ID {}?"}
{"question": "What is the volume (cubic angstroms) of the compound with the formula Ga2Os1?", "refer_dataset": "table31", "column names": ["0", "5"], "condition_column": ["0"], "answer_column": ["5"], "condition": {"0": "Ga2Os1"}, "tool": "search_value", "answer": {"5": "86.67620Å3"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the volume (cubic angstroms) of the compound with the formula {}?"}
{"question": "Find the Pauling electronegativity of element B (χpb) in La0.925Sr0.075Fe0.925Ti0.075O3.", "refer_dataset": "table3", "column names": ["Materials", "χpb"], "condition_column": ["Materials"], "answer_column": ["χpb"], "condition": {"Materials": "La0.925Sr0.075Fe0.925Ti0.075O3"}, "tool": "search_value", "answer": {"χpb": "1.81"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the Pauling electronegativity of element B (χpb) in {}."}
{"question": "Specify the formation energy (e_form) of the material with formula RbYbS2:", "refer_dataset": "table56", "column names": ["formula", "e_form"], "condition_column": ["formula"], "answer_column": ["e_form"], "condition": {"formula": "RbYbS2"}, "tool": "search_value", "answer": {"e_form": "-1.6240670545312503"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Specify the formation energy (e_form) of the material with formula {}:"}
{"question": "What is the elastic anisotropy value for the material identified as CeAlO3 by formula?", "refer_dataset": "table56", "column names": ["formula", "elastic anisotropy"], "condition_column": ["formula"], "answer_column": ["elastic anisotropy"], "condition": {"formula": "CeAlO3"}, "tool": "search_value", "answer": {"elastic anisotropy": ""}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the elastic anisotropy value for the material identified as {} by formula?"}
{"question": "Identify materials where GGA_optical < HSE_optical by more than 4.818411 eV, while exhibiting 5.968427 magnetic state.", "refer_dataset": "table63", "column names": ["Band_gap_GGA_optical", "Band_gap_HSE_optical", "Magnetic_ordering"], "condition_column": ["Band_gap_GGA_optical", "Band_gap_HSE_optical"], "answer_column": ["Magnetic_ordering"], "condition": {"Band_gap_GGA_optical": "4.818411", "Band_gap_HSE_optical": "5.968427"}, "tool": "search_value", "answer": {"Magnetic_ordering": "NM"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify materials where GGA_optical < HSE_optical by more than {} eV, while exhibiting {} magnetic state."}
{"question": "Determine the superconducting transition temperature of the material with ID 6607 and formula Ni2.5Cu1.5Zr8.", "refer_dataset": "table65", "column names": ["id", "formula", "Tc"], "condition_column": ["id", "formula"], "answer_column": ["Tc"], "condition": {"id": "6607", "formula": "Ni2.5Cu1.5Zr8"}, "tool": "search_value", "answer": {"Tc": "1.09"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the superconducting transition temperature of the material with ID {} and formula {}."}
{"question": "Find the magnetic moment (mu_b) for the material with ID mp-10013, elastic anisotropy 14.004436456547142, and stability (e_hull) 0.2802868175000004.", "refer_dataset": "table54", "column names": ["id", "elastic anisotropy", "e_hull", "mu_b"], "condition_column": ["id", "elastic anisotropy", "e_hull"], "answer_column": ["mu_b"], "condition": {"id": "mp-10013", "elastic anisotropy": "14.004436456547142", "e_hull": "0.2802868175000004"}, "tool": "search_value", "answer": {"mu_b": "-2e-07"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the magnetic moment (mu_b) for the material with ID {}, elastic anisotropy {}, and stability (e_hull) {}."}
{"question": "What is the mean number of bonds (num_bonds_mean_0) associated with SMILES C(CCN1CCOCCOCCOCCOCCOCC1)CN1CCOCCOCCOCCOCCOCC1?", "refer_dataset": "table41", "column names": ["osda smiles", "num_bonds_mean_0"], "condition_column": ["osda smiles"], "answer_column": ["num_bonds_mean_0"], "condition": {"osda smiles": "C(CCN1CCOCCOCCOCCOCCOCC1)CN1CCOCCOCCOCCOCCOCC1"}, "tool": "search_value", "answer": {"num_bonds_mean_0": "41"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the mean number of bonds (num_bonds_mean_0) associated with SMILES {}?"}
{"question": "What is the electronic permittivity (Eps_elec) recorded for the perovskite material Perov-4?", "refer_dataset": "table49", "column names": ["id", "Eps_elec"], "condition_column": ["id"], "answer_column": ["Eps_elec"], "condition": {"id": "Perov-4"}, "tool": "search_value", "answer": {"Eps_elec": "3.91"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the electronic permittivity (Eps_elec) recorded for the perovskite material {}?"}
{"question": "How much HCO3 ion is required for polymer PEG with 0.3 wt.% and solvent type Ethylene glycol to minimize synthesis time?", "refer_dataset": "table42", "column names": ["Polymer type", "Polymer, % wt.", "Solvent type", "HCO3 ion, mM"], "condition_column": ["Polymer type", "Polymer, % wt.", "Solvent type"], "answer_column": ["HCO3 ion, mM"], "condition": {"Polymer type": "PEG", "Polymer, % wt.": "0.3", "Solvent type": "Ethylene glycol"}, "tool": "search_value", "answer": {"HCO3 ion, mM": "0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "How much HCO3 ion is required for polymer {} with {} wt.% and solvent type {} to minimize synthesis time?"}
{"question": "For a system with valence band maximum (VBM) of 4.7106, what is the OptB88-vdW calculated bandgap?", "refer_dataset": "table52", "column names": ["optb88vdw_vbm", "optb88vdw_bandgap"], "condition_column": ["optb88vdw_vbm"], "answer_column": ["optb88vdw_bandgap"], "condition": {"optb88vdw_vbm": "4.7106"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "-0.4502999999999995"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "For a system with valence band maximum (VBM) of {}, what is the OptB88-vdW calculated bandgap?"}
{"question": "Find the ID linked to the formula_energy value 218.", "refer_dataset": "table64", "column names": ["id", "formula_energy"], "condition_column": ["id"], "answer_column": ["formula_energy"], "condition": {"id": "218"}, "tool": "search_value", "answer": {"formula_energy": "-0.0656403766667"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the ID linked to the formula_energy value {}."}
{"question": "What is the indirect band gap energy (eV) of the material located at extra/batch-001/Ac/Ac/xxx_02a-00_agm003157159_spg225?", "refer_dataset": "table44", "column names": ["location", "band_gap_ind"], "condition_column": ["location"], "answer_column": ["band_gap_ind"], "condition": {"location": "extra/batch-001/Ac/Ac/xxx_02a-00_agm003157159_spg225"}, "tool": "search_value", "answer": {"band_gap_ind": "0.0"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the indirect band gap energy (eV) of the material located at {}?"}
{"question": "What is the ID of the superconducting material with formula B2Th1 and Tc 0.0?", "refer_dataset": "table65", "column names": ["formula", "Tc", "id"], "condition_column": ["formula", "Tc"], "answer_column": ["id"], "condition": {"formula": "B2Th1", "Tc": "0.0"}, "tool": "search_value", "answer": {"id": "14309"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the ID of the superconducting material with formula {} and Tc {}?"}
{"question": "Determine the journal impact factor for an article published by the institution Qinghai Normal Univ in Peoples R China country.", "refer_dataset": "table13", "column names": ["Facility", "Country", "IF"], "condition_column": ["Facility", "Country"], "answer_column": ["IF"], "condition": {"Facility": "Qinghai Normal Univ", "Country": "Peoples R China"}, "tool": "search_value", "answer": {"IF": "4.598"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Determine the journal impact factor for an article published by the institution {} in {} country."}
{"question": "What is the OptB88vdW bandgap of the material with job ID JVASP-90856 and Poisson ratio of na?", "refer_dataset": "table47", "column names": ["jid", "poisson", "optb88vdw_bandgap"], "condition_column": ["jid", "poisson"], "answer_column": ["optb88vdw_bandgap"], "condition": {"jid": "JVASP-90856", "poisson": "na"}, "tool": "search_value", "answer": {"optb88vdw_bandgap": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the OptB88vdW bandgap of the material with job ID {} and Poisson ratio of {}?"}
{"question": "What process temperature (°C) corresponds to a conversion yield (C2y) of 831%?", "refer_dataset": "table28", "column names": ["Temperature", "C2y"], "condition_column": ["Temperature"], "answer_column": ["C2y"], "condition": {"Temperature": "831"}, "tool": "search_value", "answer": {"C2y": "6.8"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What process temperature (°C) corresponds to a conversion yield (C2y) of {}%?"}
{"question": "Find the internal energy at 0K (U0) for the material with dipole moment 0.0, polarizability 13.210000038146973, and ID 0.0.", "refer_dataset": "table60", "column names": ["mu", "alpha", "id", "U0"], "condition_column": ["mu", "alpha", "id"], "answer_column": ["U0"], "condition": {"mu": "0.0", "alpha": "13.210000038146973", "id": "0.0"}, "tool": "search_value", "answer": {"U0": "-17.17218017578125"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Find the internal energy at 0K (U0) for the material with dipole moment {}, polarizability {}, and ID {}."}
{"question": "Identify the detailed chemical formula for the material identified by mp-1175065.", "refer_dataset": "table55", "column names": ["material_id", "full_formula"], "condition_column": ["material_id"], "answer_column": ["full_formula"], "condition": {"material_id": "mp-1175065"}, "tool": "search_value", "answer": {"full_formula": "Li7Mn2Co3O12"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "Identify the detailed chemical formula for the material identified by {}."}
{"question": "What is the formation energy of the material with bulk formula Cl?", "refer_dataset": "table68", "column names": ["bulk_formula", "ef"], "condition_column": ["bulk_formula"], "answer_column": ["ef"], "condition": {"bulk_formula": "Cl"}, "tool": "search_value", "answer": {"ef": "1.10018"}, "level": "simple", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the formation energy of the material with bulk formula {}?"}
{"question": "What CH3Ead is recorded for Dope He in the presence of Base Be?", "refer_dataset": "table24", "column names": ["Dope", "Base", "CH3Ead"], "condition_column": ["Dope", "Base"], "answer_column": ["CH3Ead"], "condition": {"Dope": "He", "Base": "Be"}, "tool": "search_value", "answer": {"CH3Ead": "-1.567364187"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What CH3Ead is recorded for Dope {} in the presence of Base {}?"}
{"question": "What is the tertiary cation identifier when the preparation is 3.0 and the contact duration is 3.44?", "refer_dataset": "table20", "column names": ["Preparation", "Contact-times", "Cation3"], "condition_column": ["Preparation", "Contact-times"], "answer_column": ["Cation3"], "condition": {"Preparation": "3.0", "Contact-times": "3.44"}, "tool": "search_value", "answer": {"Cation3": "0.0"}, "level": "complex", "question description": "In a tabular data structure, locate the cells that meet the requirements.", "refer_template": "What is the tertiary cation identifier when the preparation is {} and the contact duration is {}?"}