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The dataset generation failed
Error code: DatasetGenerationError
Exception: ArrowInvalid
Message: JSON parse error: Column(/answer/[]/Calcination time(h)) changed from number to string in row 5
Traceback: Traceback (most recent call last):
File "/usr/local/lib/python3.12/site-packages/datasets/packaged_modules/json/json.py", line 174, in _generate_tables
df = pandas_read_json(f)
^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/packaged_modules/json/json.py", line 38, in pandas_read_json
return pd.read_json(path_or_buf, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/pandas/io/json/_json.py", line 815, in read_json
return json_reader.read()
^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/pandas/io/json/_json.py", line 1014, in read
obj = self._get_object_parser(self.data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/pandas/io/json/_json.py", line 1040, in _get_object_parser
obj = FrameParser(json, **kwargs).parse()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/pandas/io/json/_json.py", line 1176, in parse
self._parse()
File "/usr/local/lib/python3.12/site-packages/pandas/io/json/_json.py", line 1392, in _parse
ujson_loads(json, precise_float=self.precise_float), dtype=None
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
ValueError: Trailing data
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1815, in _prepare_split_single
for _, table in generator:
^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/packaged_modules/json/json.py", line 177, in _generate_tables
raise e
File "/usr/local/lib/python3.12/site-packages/datasets/packaged_modules/json/json.py", line 151, in _generate_tables
pa_table = paj.read_json(
^^^^^^^^^^^^^^
File "pyarrow/_json.pyx", line 342, in pyarrow._json.read_json
File "pyarrow/error.pxi", line 155, in pyarrow.lib.pyarrow_internal_check_status
File "pyarrow/error.pxi", line 92, in pyarrow.lib.check_status
pyarrow.lib.ArrowInvalid: JSON parse error: Column(/answer/[]/Calcination time(h)) changed from number to string in row 5
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1455, in compute_config_parquet_and_info_response
parquet_operations = convert_to_parquet(builder)
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1054, in convert_to_parquet
builder.download_and_prepare(
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 894, in download_and_prepare
self._download_and_prepare(
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 970, in _download_and_prepare
self._prepare_split(split_generator, **prepare_split_kwargs)
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1702, in _prepare_split
for job_id, done, content in self._prepare_split_single(
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1858, in _prepare_split_single
raise DatasetGenerationError("An error occurred while generating the dataset") from e
datasets.exceptions.DatasetGenerationError: An error occurred while generating the datasetNeed help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.
question string | refer_dataset string | column names list | condition_column list | answer_column list | condition dict | tool string | answer dict | level string | question description string | refer_template string |
|---|---|---|---|---|---|---|---|---|---|---|
Retrieve the total magnetization value for the material identified by material ID 2dm-9. | table67 | [
"material_id",
"total_magnetization"
] | [
"material_id"
] | [
"total_magnetization"
] | {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"PM": null,
"CT (℃)": null,
"SBET(m2/g)": null,
"ReactionType": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"jid": null,
"magmom_oszicar": null,
"M3": null,
"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"osda smiles": null,
"search": null,
"formula": null,
"Material Composition": null,
"goldschmidt_TF_ionic": null,
"octahedral_factor": null,
"shear modulus": null,
"elastic anisotropy": null,
"prototype_id": null,
"elements": null,
"Materials": null,
"M1": null,
"CH4 conversion (%)": null,
"location": null,
"id": null,
"Full Name of Perovskite": null,
"MetalRatio": null,
"Eg(eV)": null,
"_oqmd_delta_e": null,
"CH4-pressure": null,
"spg_number": null,
"Support": null,
"M2": null,
"C2 yield (%)": null,
"Base": null,
"Composition": null,
"Surface Area(m2/g)": null,
"O2 Conv. (%)": null,
"M3 (wt%)": null,
"inchi": null,
"co2_absp": null,
"surface_area_m2g": null,
"co2_pressures": null,
"spacegroup_symbol": null,
"indir_gap": null,
"source_folder": null,
"OC": null,
"C0, mg/L": null,
"compound": null,
"chemical_family": null,
"DOI": null,
"Catalyst": null,
"natoms": null,
"stress": null,
"Ra": null,
"Rb": null,
"χpa": null,
"emu/cm^3": null,
"Molecular formula": null,
"file": null,
"Exp": null,
"E_AtomN": null,
"Indirect_Band": null,
"Volume": null,
"Lattice": null,
"D": null,
"spg_symbol": null,
"PBE_latt_const": null,
"HSE_latt_const": null,
"Ra/Rb": null,
"poisson": null,
"pH": null,
"T, oC": null,
"spacegroup": null,
"MetalPart": null,
"paper_number": null,
"Ln_ion": null,
"CIF_file_name": null,
"title": null,
"Ca ion, mM": null,
"CO3 ion, mM": null,
"Stirring, rpm": null,
"species": null,
"name": null,
"I1a": null,
"A_Tm": null,
"energy_per_atom": null,
"f_enp": null,
"Co": null,
"Ni": null,
"时效温度T (℃)": null,
"时效时间t (h)": null,
"b": null,
"a": null,
"surfaces": null,
"AA": null,
"A_AtimicN": null,
"Code": null,
"EAa": null,
"ρb": null,
"Anion1": null,
"Cation2": null,
"Temperature": null,
"_oqmd_band_gap": null,
"_oqmd_stability": null,
"authors": null,
"categories": null,
"hse_gap": null,
"mu": null,
"Temp. (℃)": null,
"ab": null,
"ab_key": null,
"reaction_energy": null,
"material_id": "2dm-9",
"exfoliation_energy_per_atom": null,
"A site": null,
"B2 site": null,
"Duration of cycles (h)": null,
"pretty_formula": null,
"SMILES": null,
"SMILES_relaxed": null,
"scf_vbm": null,
"e_above_hull": null,
"t": null,
"χpb": null,
"HOMO": null,
"LUMO": null,
"Atomic Radius (Å)": null,
"egap": null,
"optb88vdw_bandgap": null,
"diel_ion": null,
"src": null,
"A mole": null,
"RH2(µmol h-1 g-1)": null,
"M": null,
"Pch4": null,
"Po2": null,
"Facility": null,
"Journal_Name": null,
"Acid_OVP": null,
"formula_energy": null,
"bulk_formula": null,
"chem_pot": null,
"Formation_energy": null,
"A_O": null,
"max_ir_mode": null,
"ff_vac": null,
"Space_group_rlx": null,
"Magnetic_ordering": null,
"C missing(%)": null,
"Resource": null,
"Total flow (mL/min)": null,
"B site": null,
"cycle3": null,
"mu_b": null,
"authors_parsed": null,
"oxide_type": null,
"icsd_ids": null,
"Perovskite": null,
"bulk modulus": null,
"Pt": null,
"Rh": null,
"Onset": null,
"optb88vdw_vbm": null,
"similarity": null,
"func": null,
"source_id": null,
"SSA (m2 g -1 )": null,
"EAb": null,
"ef": null,
"Surface area (m2/g)": null,
"Illumination time (min)": null,
"Catalyst label": null,
"surf_vbm": null,
"final_energy": null,
"M4": null,
"CO yield (%)": null,
"alpha": null,
"mat_id": null,
"A/m": null,
"submitter": null,
"CO2 yield(%)": null,
"Dope": null,
"D, g/L": null,
"homo": null,
"crystal_system": null,
"efermi": null,
"pbe0_gap": null,
"unit_cell_formula": null,
"nsites": null,
"Tol": null,
"HSE_decomp_energy": null,
"diel_tot": null,
"wycoff": null,
"bulk_modulus_kv": null,
"label": null,
"Material": null,
"Degradation efficiency (%)": null,
"Contact-times": null,
"m06_gap": null,
"density": null,
"Molecular formulas": null,
"AH (h)": null,
"DT (℃)": null,
"spacegroup_number": null,
"scf_cbm": null,
"journal-ref": null,
"Mg": null,
"J.uAcm2_0.63_initialCA": null,
"A site #1": null,
"A site #3": null,
"formation_energy (eV/atom)": null,
"total": null,
"goldschmidt_TF": null,
"surfaces_key": null,
"_oqmd_entry_id": null,
"Dn": null,
"γ＇相尺寸 (nm)": null,
"Ca": null,
"La": null,
"Cation4-mol": null,
"A_Tb": null,
"atoms": null,
"M1_atom_number": null,
"Support_ID": null,
"CO2s": null,
"gap pbe": null,
"net_magmom": null,
"source": null,
"bandgap": null,
"I, mW/cm2": null,
"-log(k), min-1": null,
"Degradation rate(%)": null,
"Pollutant": null,
"Calcination temperature(°C)": null,
"Ti": null,
"固溶温度T (℃)": null,
"hubbards": null,
"update_date": null,
"CH4/O2 (mol/mol)": null,
"PAr (atm)": null,
"Tc": null,
"offset": null,
"shear_modulus_gv": null,
"HF": null,
"atom_en": null,
"HCO3 ion, mM": null,
"Solvent, % vol.": null,
"Country": null,
"min_co2_adsp": null,
"lcd": null,
"total_magnetization": null,
"lumo": null,
"kA/m": null,
"zpve": null,
"H": null,
"e_form": null,
"cycle5": null,
"Nanostructuring": null,
"Polymer type": null,
"Surfactant type": null,
"Temperature, C": null,
"doi": null,
"Al": null,
"OH": null,
"B_Tb": null,
"bp86_homo": null,
"bp86_lumo": null,
"bp86_gap": null,
"bp86_scharber_pce": null,
"max_co2_adsp": null,
"G": null,
"Cv": null,
"surface_area_m2cm3": null,
"A2 site": null,
"cycle2": null,
"Co catalyst": null,
"Functionalization": null,
"Surfactant, % wt.": null,
"Synthesis time": null,
"void_fraction": null,
"optb88vdw_cbm": null,
"Eps_elec": null,
"Extracted Value": null,
"Extracted Units": null,
"initial_atoms": null,
"Formation_E": null,
"B": null,
"C_AtomN": null,
"bp86_scharber_jsc": null,
"R2": null,
"formation_energy_per_atom": null,
"Bsite_NsUnfilled_range": null,
"pld": null,
"CH4-conversion%": null,
"pbe0_scharber_voc": null,
"SDA": null,
"Ge": null,
"Si": null,
"C2H6 yield(%)": null,
"H2O(g)": null,
"pub_year": null,
"BandGap(eV)": null,
"Pore Volume (cm3/g)": null,
"Preparation": null,
"C2H4 yield(%)": null,
"COx": null,
"diel_elec": null,
"ICSD_number": null,
"Fe": null,
"J.uAcm2_0.63_secondCA": null,
"Ref": null,
"defective_energy": null,
"U0": null,
"Preparation method": null,
"Calcination temperature(K)": null,
"PBE_gap": null,
"HSE_gap": null,
"sentence": null,
"C2y": null,
"ITQ": null,
"H2O": null,
"Cation1": null,
"Anion2": null,
"C2selec": null,
"band_gap_dir": null,
"SBET (m2 /g)": null,
"bulk_energy": null,
"gyration_radius_mean_0": null,
"A": null,
"A1": null,
"bader_net_charges": null,
"B_Tm": null,
"ρa": null,
"Reaction": null,
"Calcination time(h)": null,
"In": null,
"SNUMAT_id": null,
"spg": null,
"WeigthMetalLoading": null,
"auid": null,
"Photocatalyst(s)": null,
"MOF_Type": null,
"Phase": null,
"material_type": null,
"Symbol": null,
"固溶时间t (h)": null,
"CO yield(%)": null,
"Reaction solution": null,
"Dopant": null,
"Catalyst/Pollutant mass ratio": null,
"asphericity_mean_0": null,
"En": null,
"Wave length(<nm)": null,
"Solvent type": null,
"Polymer Mwt, kDa": null,
"Dopant/Ti mole ratio": null,
"Illumination time(min)": null,
"Light Type": null,
"Zeo2": null,
"Y": null,
"J.uAcm2_0.80_fromCV": null,
"FD1": null,
"MR1": null,
"MR2": null,
"CO2y": null,
"Au": null,
"Temp (oC)": null,
"CO2 yield (%)": null,
"Structure": null,
"Material Family": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Substrates": null,
"EnergyAboveHull": null,
"Bsite_NdValence_range": null,
"Cited_Time": null,
"gv": null,
"I1b": null,
"X site": null,
"energy_above_hull (meV/atom)": null,
"avg_max": null,
"value": null,
"e_hull": null,
"omega1": null,
"sub_family": null,
"Ru": null,
"mT": null,
"surf_cbm": null,
"PBE_decomp_energy": null,
"enthalpy_formation_298K": null,
"Log_fom": null,
"Par": null,
"Type": null,
"composition": null,
"C2 selectivity (%)": null,
"Year": null,
"C.E. %": null,
"A site #2": null,
"B site #1": null,
"volume": null,
"Other": null,
"FD2": null,
"symbol": null,
"Dense1": null,
"Bn": null,
"Number of elements": null,
"m06_homo": null,
"m06_lumo": null,
"b_key": null,
"B_O": null,
"formation_energy_peratom": null,
"A_AtomN": null,
"Cn": null,
"Bi type in photocatalyst": null,
"light source": null,
"Reaction medium": null,
"Mn": null,
"exfoliation_energy": null,
"BCCmagmom": null,
"emu/g": null,
"O2-pressure": null,
"gga_gap": null,
"report-no": null,
"m06_scharber_voc": null,
"gap": null,
"Multiphase": null,
"Electric field": null,
"C2 yield(%)": null,
"CSM": null,
"axial_distortion": null,
"O2 Conv(%)": null,
"Band_gap_GGA_optical": null,
"Band_gap_HSE_optical": null,
"pbe0_lumo": null,
"C2-yield-class": null,
"Synthesis_Time": null,
"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
"10": null,
"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
"55": null,
"SSA (m2 g -1 )": null,
"MetalPart": null,
"b3lyp_scharber_pce": null,
"HSE_mix_energy": null,
"spg_symbol": null,
"spillage": null,
"C2H4 yield (%)": null,
"formal_charge": null,
"formula": null,
"optb88vdw_bandgap": null,
"Formation_energy": null,
"id": null,
"formation_energy (eV/atom)": null,
"dos_ef": null,
"χpb": null,
"M3": null,
"band_gap_ind": null,
"PBE_mix_energy": null,
"cycle3": null,
"ReactionType": null,
"Calcination temperature(K)": null,
"_oqmd_stability": null,
"COx": null,
"PAr (atm)": null,
"surf_vbm": null,
"ReactionE": null,
"X": null,
"M4": null,
"name": null,
"mu_b": null,
"natoms": null,
"Ref": null,
"axial_distortion": null,
"Cited_Time": null,
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"max_co2_adsp": null,
"Cv": null,
"M": null,
"f_enp": null,
"t": null,
"°C": null,
"RH2(µmol h-1 g-1)": null,
"date": null,
"CatW(g/L)": null,
"NH2": null,
"En": null,
"E_AtomN": null,
"elastic_tensor": null,
"B site #1": null,
"Tol": null,
"OC": null,
"energy": null,
"Support": null,
"_oqmd_entry_id": null,
"DOI": null,
"Ln_Kramers": null,
"doi": null,
"Solvent, % vol.": null,
"gap": null,
"enthalpy_formation_298K": null,
"energy_per_atom": null,
"elastic anisotropy": null,
"species": null,
"volume": null,
"B_Tb": null,
"ρa": null,
"crystal_system": null,
"γ＇相尺寸 (nm)": null,
"reaction_energy": null,
"M2": null,
"ΔfusHa": null,
"efermi": null,
"Ra": null,
"final_energy": null,
"Mainproduct": null,
"C2-selectivity": null,
"a_key": null,
"r2": null,
"CH4/O2 (mol/mol)": null,
"C2y": null,
"surfaces_key": null,
"formula_energy": null,
"Tc": null,
"CSM": null,
"cycle1": null,
"band_gap": null,
"alpha": null,
"G": null,
"Par": null,
"avg_max": null,
"decomposition": null,
"Eg(eV)": null,
"sub_family": null,
"Rb": null,
"SMILES_relaxed": null,
"Modulus of Elasticity 10³ Mpa": null,
"enthalpy_atom": null,
"exfoliation_energy": null,
"volume_std_0": null,
"offset": null,
"gga_gap": null,
"B": null,
"ρb": null,
"Acid_OVP": null,
"jid": null,
"Bsite_NdValence_range": null,
"spg_number": null,
"atoms": null,
"A_B": null,
"dfpt_piezo_max_dielectric_ionic": null,
"enthalpy_formation_0K": null,
"symbol": null,
"Band_gap_GGA_optical": null,
"furnace length(mm)": null,
"gap pbe": null,
"c": null,
"total_magnetization": "0.0",
"e_hull": null,
"Ru": null,
"bulk_modulus_kv": null,
"Degradation rate(%)": null,
"material_id": null,
"WeigthMetalLoading": null,
"DT (℃)": null,
"R2": null,
"material_type": null,
"Pore Volume (cm3/g)": null,
"Material Family": null,
"scf_vbm": null,
"Alloying": null,
"optb88vdw_vbm": null,
"e_phase_separation": null,
"CO yield (%)": null,
"mu": null,
"mT": null,
"CH3Ead": null,
"shear_modulus_gv": null,
"report-no": null,
"CH4Ead": null,
"source_folder": null,
"title": null,
"cellpressure": null,
"pbe0_description": null,
"initial_atoms": null,
"bader_atomic_volumes": null,
"e_above_hull": null,
"HSE_gap": null,
"Log_fom": null,
"PBE_decomp_energy": null,
"method": null,
"defective_energy": null,
"shear modulus": null,
"magmom_oszicar": null,
"Robs": null,
"closest_polyhedron": null,
"m06_homo": null,
"pH": null,
"Ra/Rb": null,
"e_form": null,
"CH4-pressure": null,
"phon_dat": null,
"m06_scharber_voc": null,
"elasticity": null,
"src": null,
"Material": null,
"Ref.": null,
"indir_gap": null,
"lumo": null,
"mbj_bandgap": null,
"authors_parsed": null,
"license": null,
"Ni": null,
"B site #2": null,
"similarity": null,
"Reactor_Volume": null,
"activation_energy": null,
"Country": null,
"Illumination time (min)": null,
"goldschmidt_TF_ionic": null,
"elements": null,
"M1": null,
"_oqmd_band_gap": null,
"abstract": null,
"Lattice": null,
"时效温度T (℃)": null,
"comments": null,
"cycle5": null,
"_oqmd_delta_e": null,
"surf_cbm": null,
"chem_pot": null,
"Y": null,
"Cation4": null,
"I1b": null,
"mat_id": null,
"bulk modulus": null,
"scf_cbm": null,
"Product": null,
"source_id": null,
"min_co2_adsp": null,
"Catalyst/Pollutant mass ratio": null,
"时效时间t (h)": null,
"Degradation efficiency (%)": null,
"SBET(m2/g)": null,
"mol_weight": null,
"authors": null,
"nsites": null,
"versions": null,
"nat": null,
"C2 yield (%)": null,
"Time": null,
"Photocatalyst dose(g L-1)": null,
"ef": null,
"diel_tot": null,
"PM": null,
"Stirring, rpm": null,
"full_formula": null,
"AH (h)": null,
"IF": null,
"U": null,
"surface_area_m2cm3": null,
"Eps_elec": null,
"bertz_ct_mean_0": null,
"composition": null,
"diel": null,
"CT (℃)": null,
"A2 site": null,
"C.E. %": null,
"Synthesis time": null,
"bp86_scharber_pce": null,
"optb88vdw_cbm": null,
"bp86_homo": null,
"lcd": null,
"X site": null,
"zpve": null,
"Ref_ind": null,
"Total flow (mL/min)": null,
"pld": null,
"Duration of cycles (h)": null,
"update_date": null,
"Year": null,
"B site #3": null,
"Polymer type": null,
"B_O": null,
"PBE_gap": null,
"Normalised Value": null,
"slme": null,
"surf_en": null,
"An": null,
"icsd_ids": null,
"EnergyAboveHull": null,
"location": null,
"source": null,
"O2-pressure": null,
"Indexed_Date": null,
"pbe0_gap": null,
"FD1": null,
"Am": null,
"wavelength": null,
"label": null,
"CH4/O2 ratio": null,
"concentration": null,
"Base": null,
"categories": null,
"bp86_lumo": null,
"Antibiotic dosage (mg/L)": null,
"AA": null,
"Cation3": null,
"Cation3-mol": null,
"vol": null,
"Magnetic_ordering": null,
"Number of elements": null,
"Mg": null,
"Power(W)": null,
"Light intensity(W)": null,
"µ_B/f.u.": null,
"A_Tm": null,
"Perovskite": null,
"Dense2": null,
"Temperature": null,
"Am^2/kg": null,
"total_mag": null,
"kv": null,
"loading (g/l)": null,
"bandgap": null,
"osda smiles": null,
"Surface Area(m2/g)": null,
"bulk_formula": null,
"B_Tm": null,
"energy_atom": null,
"EAa": null,
"Catalyst": null,
"Doping": null,
"Type": null,
"Band_gap_HSE": null,
"spacegroup_number": null,
"J.uAcm2_0.63_secondCA": null,
"Direct_or_indirect_HSE": null,
"homo": null,
"Illumination time(min)": null,
"ref": null,
"cycle4": null,
"coordination_number": null,
"sigvol": null,
"omega1": null,
"aurl": null,
"H": null,
"B2 site": null,
"formation_energy_peratom": null,
"total": null,
"final_atoms": null,
"exfoliation_energy_per_atom": null,
"MP (K)": null,
"Co": null,
"diffrtemp": null,
"-log(k), min-1": null,
"formation_energy_per_atom": null,
"T, oC": null,
"CO3 ion, mM": null,
"poisson": null,
"Preparation method": null,
"Volume": null,
"inertial_shape_factor_std_0": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Light Type": null,
"func": null,
"Temperature, C": null,
"octahedral_factor_ionic": null,
"void_fraction": null,
"ProdRate(μmol/g)": null,
"a": null,
"bulk_energy": null,
"D, g/L": null,
"Al": null,
"Po2": null,
"egap_fit": null,
"La": null,
"Warning_OER.1": null,
"HOMO": null,
"Pt": null,
"overpotential V": null,
"nelements": null,
"energy_above_hull (meV/atom)": null,
"C2 selectivity (%)": null,
"ZPVE": null,
"Journal_Name": null,
"Facility": null,
"Judge_Hydrothermal": null,
"stress": null,
"BandGap(eV)": null,
"EAb": null,
"Pch4": null,
"unit": null,
"slope_CSM": null,
"surf_dat": null,
"prototype_id": null,
"-V vs. RHE V": null,
"Au": null,
"K": null,
"unit_cell_formula": null,
"ff_vac": null,
"b3lyp_scharber_jsc": null,
"spg": null,
"Surfactant type": null,
"A m^2/kg": null,
"energy_corrected": null,
"I, mW/cm2": null,
"Ca ion, mM": null,
"Nanostructuring": null,
"spacegroup": null,
"Substrates": null,
"J.uAcm2_0.63_initialCA": null,
"Surface Strain": null,
"hse_gap": null,
"Ca": null,
"X1": null,
"pretty_formula": null,
"MR1": null,
"C_AtomN": null,
"A site #3": null,
"goldschmidt_TF": null,
"Direct_or_indirect": null,
"value": null,
"co2_pressures": null,
"wycoff": null,
"C0, mg/L": null,
"ab": null,
"HCO3 ion, mM": null,
"Surfactant, % wt.": null,
"Direct_Band": null,
"Yield (μmol/g/h)": null,
"Solvent type": null,
"num_bonds_mean_0": null,
"atom_en": null,
"at. wt.": null,
"spacegroup_symbol": null,
"CIF_type": null,
"PBE_latt_const": null,
"surface_area_m2g": null,
"vac_dat": null,
"sgNumber": null,
"Anion2-mol": null,
"topology": null,
"cycle2": null,
"Dope": null,
"Space_group_rlx": null,
"chemical_family": null,
"journal-ref": null,
"A_Tb": null,
"net_magmom": null,
"Band_gap_HSE_optical": null,
"Ionic Radius (angstroms)": null,
"pbe0_homo": null,
"CH4 Conv(%)": null,
"band_gap_dir": null,
"pub_year": null,
"axes_mean_0": null,
"Polymer, % wt.": null,
"Resource": null,
"Support1-mol": null,
"Additional": null,
"search": null,
"Reaction solution": null,
"Si": null,
"C2s": null,
"OH": null,
"CH4 conversion (%)": null,
"co2_absp": null,
"CIF_file_name": null,
"HSE_decomp_energy": null,
"A site #2": null,
"year": null,
"U0": null
} | simple | In a tabular data structure, locate the cells that meet the requirements. | Retrieve the total magnetization value for the material identified by material ID {}. |
Determine the similarity score for YbFeO3 perovskite with feature 45 set to 0.014474. | table14 | [
"Perovskite",
"45",
"similarity"
] | [
"Perovskite",
"45"
] | [
"similarity"
] | {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": "0.014474",
"PM": null,
"CT (℃)": null,
"SBET(m2/g)": null,
"ReactionType": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"jid": null,
"magmom_oszicar": null,
"M3": null,
"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"osda smiles": null,
"search": null,
"formula": null,
"Material Composition": null,
"goldschmidt_TF_ionic": null,
"octahedral_factor": null,
"shear modulus": null,
"elastic anisotropy": null,
"prototype_id": null,
"elements": null,
"Materials": null,
"M1": null,
"CH4 conversion (%)": null,
"location": null,
"id": null,
"Full Name of Perovskite": null,
"MetalRatio": null,
"Eg(eV)": null,
"_oqmd_delta_e": null,
"CH4-pressure": null,
"spg_number": null,
"Support": null,
"M2": null,
"C2 yield (%)": null,
"Base": null,
"Composition": null,
"Surface Area(m2/g)": null,
"O2 Conv. (%)": null,
"M3 (wt%)": null,
"inchi": null,
"co2_absp": null,
"surface_area_m2g": null,
"co2_pressures": null,
"spacegroup_symbol": null,
"indir_gap": null,
"source_folder": null,
"OC": null,
"C0, mg/L": null,
"compound": null,
"chemical_family": null,
"DOI": null,
"Catalyst": null,
"natoms": null,
"stress": null,
"Ra": null,
"Rb": null,
"χpa": null,
"emu/cm^3": null,
"Molecular formula": null,
"file": null,
"Exp": null,
"E_AtomN": null,
"Indirect_Band": null,
"Volume": null,
"Lattice": null,
"D": null,
"spg_symbol": null,
"PBE_latt_const": null,
"HSE_latt_const": null,
"Ra/Rb": null,
"poisson": null,
"pH": null,
"T, oC": null,
"spacegroup": null,
"MetalPart": null,
"paper_number": null,
"Ln_ion": null,
"CIF_file_name": null,
"title": null,
"Ca ion, mM": null,
"CO3 ion, mM": null,
"Stirring, rpm": null,
"species": null,
"name": null,
"I1a": null,
"A_Tm": null,
"energy_per_atom": null,
"f_enp": null,
"Co": null,
"Ni": null,
"时效温度T (℃)": null,
"时效时间t (h)": null,
"b": null,
"a": null,
"surfaces": null,
"AA": null,
"A_AtimicN": null,
"Code": null,
"EAa": null,
"ρb": null,
"Anion1": null,
"Cation2": null,
"Temperature": null,
"_oqmd_band_gap": null,
"_oqmd_stability": null,
"authors": null,
"categories": null,
"hse_gap": null,
"mu": null,
"Temp. (℃)": null,
"ab": null,
"ab_key": null,
"reaction_energy": null,
"material_id": null,
"exfoliation_energy_per_atom": null,
"A site": null,
"B2 site": null,
"Duration of cycles (h)": null,
"pretty_formula": null,
"SMILES": null,
"SMILES_relaxed": null,
"scf_vbm": null,
"e_above_hull": null,
"t": null,
"χpb": null,
"HOMO": null,
"LUMO": null,
"Atomic Radius (Å)": null,
"egap": null,
"optb88vdw_bandgap": null,
"diel_ion": null,
"src": null,
"A mole": null,
"RH2(µmol h-1 g-1)": null,
"M": null,
"Pch4": null,
"Po2": null,
"Facility": null,
"Journal_Name": null,
"Acid_OVP": null,
"formula_energy": null,
"bulk_formula": null,
"chem_pot": null,
"Formation_energy": null,
"A_O": null,
"max_ir_mode": null,
"ff_vac": null,
"Space_group_rlx": null,
"Magnetic_ordering": null,
"C missing(%)": null,
"Resource": null,
"Total flow (mL/min)": null,
"B site": null,
"cycle3": null,
"mu_b": null,
"authors_parsed": null,
"oxide_type": null,
"icsd_ids": null,
"Perovskite": "YbFeO3",
"bulk modulus": null,
"Pt": null,
"Rh": null,
"Onset": null,
"optb88vdw_vbm": null,
"similarity": null,
"func": null,
"source_id": null,
"SSA (m2 g -1 )": null,
"EAb": null,
"ef": null,
"Surface area (m2/g)": null,
"Illumination time (min)": null,
"Catalyst label": null,
"surf_vbm": null,
"final_energy": null,
"M4": null,
"CO yield (%)": null,
"alpha": null,
"mat_id": null,
"A/m": null,
"submitter": null,
"CO2 yield(%)": null,
"Dope": null,
"D, g/L": null,
"homo": null,
"crystal_system": null,
"efermi": null,
"pbe0_gap": null,
"unit_cell_formula": null,
"nsites": null,
"Tol": null,
"HSE_decomp_energy": null,
"diel_tot": null,
"wycoff": null,
"bulk_modulus_kv": null,
"label": null,
"Material": null,
"Degradation efficiency (%)": null,
"Contact-times": null,
"m06_gap": null,
"density": null,
"Molecular formulas": null,
"AH (h)": null,
"DT (℃)": null,
"spacegroup_number": null,
"scf_cbm": null,
"journal-ref": null,
"Mg": null,
"J.uAcm2_0.63_initialCA": null,
"A site #1": null,
"A site #3": null,
"formation_energy (eV/atom)": null,
"total": null,
"goldschmidt_TF": null,
"surfaces_key": null,
"_oqmd_entry_id": null,
"Dn": null,
"γ＇相尺寸 (nm)": null,
"Ca": null,
"La": null,
"Cation4-mol": null,
"A_Tb": null,
"atoms": null,
"M1_atom_number": null,
"Support_ID": null,
"CO2s": null,
"gap pbe": null,
"net_magmom": null,
"source": null,
"bandgap": null,
"I, mW/cm2": null,
"-log(k), min-1": null,
"Degradation rate(%)": null,
"Pollutant": null,
"Calcination temperature(°C)": null,
"Ti": null,
"固溶温度T (℃)": null,
"hubbards": null,
"update_date": null,
"CH4/O2 (mol/mol)": null,
"PAr (atm)": null,
"Tc": null,
"offset": null,
"shear_modulus_gv": null,
"HF": null,
"atom_en": null,
"HCO3 ion, mM": null,
"Solvent, % vol.": null,
"Country": null,
"min_co2_adsp": null,
"lcd": null,
"total_magnetization": null,
"lumo": null,
"kA/m": null,
"zpve": null,
"H": null,
"e_form": null,
"cycle5": null,
"Nanostructuring": null,
"Polymer type": null,
"Surfactant type": null,
"Temperature, C": null,
"doi": null,
"Al": null,
"OH": null,
"B_Tb": null,
"bp86_homo": null,
"bp86_lumo": null,
"bp86_gap": null,
"bp86_scharber_pce": null,
"max_co2_adsp": null,
"G": null,
"Cv": null,
"surface_area_m2cm3": null,
"A2 site": null,
"cycle2": null,
"Co catalyst": null,
"Functionalization": null,
"Surfactant, % wt.": null,
"Synthesis time": null,
"void_fraction": null,
"optb88vdw_cbm": null,
"Eps_elec": null,
"Extracted Value": null,
"Extracted Units": null,
"initial_atoms": null,
"Formation_E": null,
"B": null,
"C_AtomN": null,
"bp86_scharber_jsc": null,
"R2": null,
"formation_energy_per_atom": null,
"Bsite_NsUnfilled_range": null,
"pld": null,
"CH4-conversion%": null,
"pbe0_scharber_voc": null,
"SDA": null,
"Ge": null,
"Si": null,
"C2H6 yield(%)": null,
"H2O(g)": null,
"pub_year": null,
"BandGap(eV)": null,
"Pore Volume (cm3/g)": null,
"Preparation": null,
"C2H4 yield(%)": null,
"COx": null,
"diel_elec": null,
"ICSD_number": null,
"Fe": null,
"J.uAcm2_0.63_secondCA": null,
"Ref": null,
"defective_energy": null,
"U0": null,
"Preparation method": null,
"Calcination temperature(K)": null,
"PBE_gap": null,
"HSE_gap": null,
"sentence": null,
"C2y": null,
"ITQ": null,
"H2O": null,
"Cation1": null,
"Anion2": null,
"C2selec": null,
"band_gap_dir": null,
"SBET (m2 /g)": null,
"bulk_energy": null,
"gyration_radius_mean_0": null,
"A": null,
"A1": null,
"bader_net_charges": null,
"B_Tm": null,
"ρa": null,
"Reaction": null,
"Calcination time(h)": null,
"In": null,
"SNUMAT_id": null,
"spg": null,
"WeigthMetalLoading": null,
"auid": null,
"Photocatalyst(s)": null,
"MOF_Type": null,
"Phase": null,
"material_type": null,
"Symbol": null,
"固溶时间t (h)": null,
"CO yield(%)": null,
"Reaction solution": null,
"Dopant": null,
"Catalyst/Pollutant mass ratio": null,
"asphericity_mean_0": null,
"En": null,
"Wave length(<nm)": null,
"Solvent type": null,
"Polymer Mwt, kDa": null,
"Dopant/Ti mole ratio": null,
"Illumination time(min)": null,
"Light Type": null,
"Zeo2": null,
"Y": null,
"J.uAcm2_0.80_fromCV": null,
"FD1": null,
"MR1": null,
"MR2": null,
"CO2y": null,
"Au": null,
"Temp (oC)": null,
"CO2 yield (%)": null,
"Structure": null,
"Material Family": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Substrates": null,
"EnergyAboveHull": null,
"Bsite_NdValence_range": null,
"Cited_Time": null,
"gv": null,
"I1b": null,
"X site": null,
"energy_above_hull (meV/atom)": null,
"avg_max": null,
"value": null,
"e_hull": null,
"omega1": null,
"sub_family": null,
"Ru": null,
"mT": null,
"surf_cbm": null,
"PBE_decomp_energy": null,
"enthalpy_formation_298K": null,
"Log_fom": null,
"Par": null,
"Type": null,
"composition": null,
"C2 selectivity (%)": null,
"Year": null,
"C.E. %": null,
"A site #2": null,
"B site #1": null,
"volume": null,
"Other": null,
"FD2": null,
"symbol": null,
"Dense1": null,
"Bn": null,
"Number of elements": null,
"m06_homo": null,
"m06_lumo": null,
"b_key": null,
"B_O": null,
"formation_energy_peratom": null,
"A_AtomN": null,
"Cn": null,
"Bi type in photocatalyst": null,
"light source": null,
"Reaction medium": null,
"Mn": null,
"exfoliation_energy": null,
"BCCmagmom": null,
"emu/g": null,
"O2-pressure": null,
"gga_gap": null,
"report-no": null,
"m06_scharber_voc": null,
"gap": null,
"Multiphase": null,
"Electric field": null,
"C2 yield(%)": null,
"CSM": null,
"axial_distortion": null,
"O2 Conv(%)": null,
"Band_gap_GGA_optical": null,
"Band_gap_HSE_optical": null,
"pbe0_lumo": null,
"C2-yield-class": null,
"Synthesis_Time": null,
"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
"10": null,
"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
"55": null,
"SSA (m2 g -1 )": null,
"MetalPart": null,
"b3lyp_scharber_pce": null,
"HSE_mix_energy": null,
"spg_symbol": null,
"spillage": null,
"C2H4 yield (%)": null,
"formal_charge": null,
"formula": null,
"optb88vdw_bandgap": null,
"Formation_energy": null,
"id": null,
"formation_energy (eV/atom)": null,
"dos_ef": null,
"χpb": null,
"M3": null,
"band_gap_ind": null,
"PBE_mix_energy": null,
"cycle3": null,
"ReactionType": null,
"Calcination temperature(K)": null,
"_oqmd_stability": null,
"COx": null,
"PAr (atm)": null,
"surf_vbm": null,
"ReactionE": null,
"X": null,
"M4": null,
"name": null,
"mu_b": null,
"natoms": null,
"Ref": null,
"axial_distortion": null,
"Cited_Time": null,
"Reaction": null,
"max_co2_adsp": null,
"Cv": null,
"M": null,
"f_enp": null,
"t": null,
"°C": null,
"RH2(µmol h-1 g-1)": null,
"date": null,
"CatW(g/L)": null,
"NH2": null,
"En": null,
"E_AtomN": null,
"elastic_tensor": null,
"B site #1": null,
"Tol": null,
"OC": null,
"energy": null,
"Support": null,
"_oqmd_entry_id": null,
"DOI": null,
"Ln_Kramers": null,
"doi": null,
"Solvent, % vol.": null,
"gap": null,
"enthalpy_formation_298K": null,
"energy_per_atom": null,
"elastic anisotropy": null,
"species": null,
"volume": null,
"B_Tb": null,
"ρa": null,
"crystal_system": null,
"γ＇相尺寸 (nm)": null,
"reaction_energy": null,
"M2": null,
"ΔfusHa": null,
"efermi": null,
"Ra": null,
"final_energy": null,
"Mainproduct": null,
"C2-selectivity": null,
"a_key": null,
"r2": null,
"CH4/O2 (mol/mol)": null,
"C2y": null,
"surfaces_key": null,
"formula_energy": null,
"Tc": null,
"CSM": null,
"cycle1": null,
"band_gap": null,
"alpha": null,
"G": null,
"Par": null,
"avg_max": null,
"decomposition": null,
"Eg(eV)": null,
"sub_family": null,
"Rb": null,
"SMILES_relaxed": null,
"Modulus of Elasticity 10³ Mpa": null,
"enthalpy_atom": null,
"exfoliation_energy": null,
"volume_std_0": null,
"offset": null,
"gga_gap": null,
"B": null,
"ρb": null,
"Acid_OVP": null,
"jid": null,
"Bsite_NdValence_range": null,
"spg_number": null,
"atoms": null,
"A_B": null,
"dfpt_piezo_max_dielectric_ionic": null,
"enthalpy_formation_0K": null,
"symbol": null,
"Band_gap_GGA_optical": null,
"furnace length(mm)": null,
"gap pbe": null,
"c": null,
"total_magnetization": null,
"e_hull": null,
"Ru": null,
"bulk_modulus_kv": null,
"Degradation rate(%)": null,
"material_id": null,
"WeigthMetalLoading": null,
"DT (℃)": null,
"R2": null,
"material_type": null,
"Pore Volume (cm3/g)": null,
"Material Family": null,
"scf_vbm": null,
"Alloying": null,
"optb88vdw_vbm": null,
"e_phase_separation": null,
"CO yield (%)": null,
"mu": null,
"mT": null,
"CH3Ead": null,
"shear_modulus_gv": null,
"report-no": null,
"CH4Ead": null,
"source_folder": null,
"title": null,
"cellpressure": null,
"pbe0_description": null,
"initial_atoms": null,
"bader_atomic_volumes": null,
"e_above_hull": null,
"HSE_gap": null,
"Log_fom": null,
"PBE_decomp_energy": null,
"method": null,
"defective_energy": null,
"shear modulus": null,
"magmom_oszicar": null,
"Robs": null,
"closest_polyhedron": null,
"m06_homo": null,
"pH": null,
"Ra/Rb": null,
"e_form": null,
"CH4-pressure": null,
"phon_dat": null,
"m06_scharber_voc": null,
"elasticity": null,
"src": null,
"Material": null,
"Ref.": null,
"indir_gap": null,
"lumo": null,
"mbj_bandgap": null,
"authors_parsed": null,
"license": null,
"Ni": null,
"B site #2": null,
"similarity": "0.300885",
"Reactor_Volume": null,
"activation_energy": null,
"Country": null,
"Illumination time (min)": null,
"goldschmidt_TF_ionic": null,
"elements": null,
"M1": null,
"_oqmd_band_gap": null,
"abstract": null,
"Lattice": null,
"时效温度T (℃)": null,
"comments": null,
"cycle5": null,
"_oqmd_delta_e": null,
"surf_cbm": null,
"chem_pot": null,
"Y": null,
"Cation4": null,
"I1b": null,
"mat_id": null,
"bulk modulus": null,
"scf_cbm": null,
"Product": null,
"source_id": null,
"min_co2_adsp": null,
"Catalyst/Pollutant mass ratio": null,
"时效时间t (h)": null,
"Degradation efficiency (%)": null,
"SBET(m2/g)": null,
"mol_weight": null,
"authors": null,
"nsites": null,
"versions": null,
"nat": null,
"C2 yield (%)": null,
"Time": null,
"Photocatalyst dose(g L-1)": null,
"ef": null,
"diel_tot": null,
"PM": null,
"Stirring, rpm": null,
"full_formula": null,
"AH (h)": null,
"IF": null,
"U": null,
"surface_area_m2cm3": null,
"Eps_elec": null,
"bertz_ct_mean_0": null,
"composition": null,
"diel": null,
"CT (℃)": null,
"A2 site": null,
"C.E. %": null,
"Synthesis time": null,
"bp86_scharber_pce": null,
"optb88vdw_cbm": null,
"bp86_homo": null,
"lcd": null,
"X site": null,
"zpve": null,
"Ref_ind": null,
"Total flow (mL/min)": null,
"pld": null,
"Duration of cycles (h)": null,
"update_date": null,
"Year": null,
"B site #3": null,
"Polymer type": null,
"B_O": null,
"PBE_gap": null,
"Normalised Value": null,
"slme": null,
"surf_en": null,
"An": null,
"icsd_ids": null,
"EnergyAboveHull": null,
"location": null,
"source": null,
"O2-pressure": null,
"Indexed_Date": null,
"pbe0_gap": null,
"FD1": null,
"Am": null,
"wavelength": null,
"label": null,
"CH4/O2 ratio": null,
"concentration": null,
"Base": null,
"categories": null,
"bp86_lumo": null,
"Antibiotic dosage (mg/L)": null,
"AA": null,
"Cation3": null,
"Cation3-mol": null,
"vol": null,
"Magnetic_ordering": null,
"Number of elements": null,
"Mg": null,
"Power(W)": null,
"Light intensity(W)": null,
"µ_B/f.u.": null,
"A_Tm": null,
"Perovskite": null,
"Dense2": null,
"Temperature": null,
"Am^2/kg": null,
"total_mag": null,
"kv": null,
"loading (g/l)": null,
"bandgap": null,
"osda smiles": null,
"Surface Area(m2/g)": null,
"bulk_formula": null,
"B_Tm": null,
"energy_atom": null,
"EAa": null,
"Catalyst": null,
"Doping": null,
"Type": null,
"Band_gap_HSE": null,
"spacegroup_number": null,
"J.uAcm2_0.63_secondCA": null,
"Direct_or_indirect_HSE": null,
"homo": null,
"Illumination time(min)": null,
"ref": null,
"cycle4": null,
"coordination_number": null,
"sigvol": null,
"omega1": null,
"aurl": null,
"H": null,
"B2 site": null,
"formation_energy_peratom": null,
"total": null,
"final_atoms": null,
"exfoliation_energy_per_atom": null,
"MP (K)": null,
"Co": null,
"diffrtemp": null,
"-log(k), min-1": null,
"formation_energy_per_atom": null,
"T, oC": null,
"CO3 ion, mM": null,
"poisson": null,
"Preparation method": null,
"Volume": null,
"inertial_shape_factor_std_0": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Light Type": null,
"func": null,
"Temperature, C": null,
"octahedral_factor_ionic": null,
"void_fraction": null,
"ProdRate(μmol/g)": null,
"a": null,
"bulk_energy": null,
"D, g/L": null,
"Al": null,
"Po2": null,
"egap_fit": null,
"La": null,
"Warning_OER.1": null,
"HOMO": null,
"Pt": null,
"overpotential V": null,
"nelements": null,
"energy_above_hull (meV/atom)": null,
"C2 selectivity (%)": null,
"ZPVE": null,
"Journal_Name": null,
"Facility": null,
"Judge_Hydrothermal": null,
"stress": null,
"BandGap(eV)": null,
"EAb": null,
"Pch4": null,
"unit": null,
"slope_CSM": null,
"surf_dat": null,
"prototype_id": null,
"-V vs. RHE V": null,
"Au": null,
"K": null,
"unit_cell_formula": null,
"ff_vac": null,
"b3lyp_scharber_jsc": null,
"spg": null,
"Surfactant type": null,
"A m^2/kg": null,
"energy_corrected": null,
"I, mW/cm2": null,
"Ca ion, mM": null,
"Nanostructuring": null,
"spacegroup": null,
"Substrates": null,
"J.uAcm2_0.63_initialCA": null,
"Surface Strain": null,
"hse_gap": null,
"Ca": null,
"X1": null,
"pretty_formula": null,
"MR1": null,
"C_AtomN": null,
"A site #3": null,
"goldschmidt_TF": null,
"Direct_or_indirect": null,
"value": null,
"co2_pressures": null,
"wycoff": null,
"C0, mg/L": null,
"ab": null,
"HCO3 ion, mM": null,
"Surfactant, % wt.": null,
"Direct_Band": null,
"Yield (μmol/g/h)": null,
"Solvent type": null,
"num_bonds_mean_0": null,
"atom_en": null,
"at. wt.": null,
"spacegroup_symbol": null,
"CIF_type": null,
"PBE_latt_const": null,
"surface_area_m2g": null,
"vac_dat": null,
"sgNumber": null,
"Anion2-mol": null,
"topology": null,
"cycle2": null,
"Dope": null,
"Space_group_rlx": null,
"chemical_family": null,
"journal-ref": null,
"A_Tb": null,
"net_magmom": null,
"Band_gap_HSE_optical": null,
"Ionic Radius (angstroms)": null,
"pbe0_homo": null,
"CH4 Conv(%)": null,
"band_gap_dir": null,
"pub_year": null,
"axes_mean_0": null,
"Polymer, % wt.": null,
"Resource": null,
"Support1-mol": null,
"Additional": null,
"search": null,
"Reaction solution": null,
"Si": null,
"C2s": null,
"OH": null,
"CH4 conversion (%)": null,
"co2_absp": null,
"CIF_file_name": null,
"HSE_decomp_energy": null,
"A site #2": null,
"year": null,
"U0": null
} | complex | In a tabular data structure, locate the cells that meet the requirements. | Determine the similarity score for {} perovskite with feature 45 set to {}. |
Determine the molar mass (M) of a material with bandgap energy (Eg) of 3.97 eV. | table2 | [
"Eg(eV)",
"M"
] | [
"Eg(eV)"
] | [
"M"
] | {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"PM": null,
"CT (℃)": null,
"SBET(m2/g)": null,
"ReactionType": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"jid": null,
"magmom_oszicar": null,
"M3": null,
"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"osda smiles": null,
"search": null,
"formula": null,
"Material Composition": null,
"goldschmidt_TF_ionic": null,
"octahedral_factor": null,
"shear modulus": null,
"elastic anisotropy": null,
"prototype_id": null,
"elements": null,
"Materials": null,
"M1": null,
"CH4 conversion (%)": null,
"location": null,
"id": null,
"Full Name of Perovskite": null,
"MetalRatio": null,
"Eg(eV)": "3.97",
"_oqmd_delta_e": null,
"CH4-pressure": null,
"spg_number": null,
"Support": null,
"M2": null,
"C2 yield (%)": null,
"Base": null,
"Composition": null,
"Surface Area(m2/g)": null,
"O2 Conv. (%)": null,
"M3 (wt%)": null,
"inchi": null,
"co2_absp": null,
"surface_area_m2g": null,
"co2_pressures": null,
"spacegroup_symbol": null,
"indir_gap": null,
"source_folder": null,
"OC": null,
"C0, mg/L": null,
"compound": null,
"chemical_family": null,
"DOI": null,
"Catalyst": null,
"natoms": null,
"stress": null,
"Ra": null,
"Rb": null,
"χpa": null,
"emu/cm^3": null,
"Molecular formula": null,
"file": null,
"Exp": null,
"E_AtomN": null,
"Indirect_Band": null,
"Volume": null,
"Lattice": null,
"D": null,
"spg_symbol": null,
"PBE_latt_const": null,
"HSE_latt_const": null,
"Ra/Rb": null,
"poisson": null,
"pH": null,
"T, oC": null,
"spacegroup": null,
"MetalPart": null,
"paper_number": null,
"Ln_ion": null,
"CIF_file_name": null,
"title": null,
"Ca ion, mM": null,
"CO3 ion, mM": null,
"Stirring, rpm": null,
"species": null,
"name": null,
"I1a": null,
"A_Tm": null,
"energy_per_atom": null,
"f_enp": null,
"Co": null,
"Ni": null,
"时效温度T (℃)": null,
"时效时间t (h)": null,
"b": null,
"a": null,
"surfaces": null,
"AA": null,
"A_AtimicN": null,
"Code": null,
"EAa": null,
"ρb": null,
"Anion1": null,
"Cation2": null,
"Temperature": null,
"_oqmd_band_gap": null,
"_oqmd_stability": null,
"authors": null,
"categories": null,
"hse_gap": null,
"mu": null,
"Temp. (℃)": null,
"ab": null,
"ab_key": null,
"reaction_energy": null,
"material_id": null,
"exfoliation_energy_per_atom": null,
"A site": null,
"B2 site": null,
"Duration of cycles (h)": null,
"pretty_formula": null,
"SMILES": null,
"SMILES_relaxed": null,
"scf_vbm": null,
"e_above_hull": null,
"t": null,
"χpb": null,
"HOMO": null,
"LUMO": null,
"Atomic Radius (Å)": null,
"egap": null,
"optb88vdw_bandgap": null,
"diel_ion": null,
"src": null,
"A mole": null,
"RH2(µmol h-1 g-1)": null,
"M": null,
"Pch4": null,
"Po2": null,
"Facility": null,
"Journal_Name": null,
"Acid_OVP": null,
"formula_energy": null,
"bulk_formula": null,
"chem_pot": null,
"Formation_energy": null,
"A_O": null,
"max_ir_mode": null,
"ff_vac": null,
"Space_group_rlx": null,
"Magnetic_ordering": null,
"C missing(%)": null,
"Resource": null,
"Total flow (mL/min)": null,
"B site": null,
"cycle3": null,
"mu_b": null,
"authors_parsed": null,
"oxide_type": null,
"icsd_ids": null,
"Perovskite": null,
"bulk modulus": null,
"Pt": null,
"Rh": null,
"Onset": null,
"optb88vdw_vbm": null,
"similarity": null,
"func": null,
"source_id": null,
"SSA (m2 g -1 )": null,
"EAb": null,
"ef": null,
"Surface area (m2/g)": null,
"Illumination time (min)": null,
"Catalyst label": null,
"surf_vbm": null,
"final_energy": null,
"M4": null,
"CO yield (%)": null,
"alpha": null,
"mat_id": null,
"A/m": null,
"submitter": null,
"CO2 yield(%)": null,
"Dope": null,
"D, g/L": null,
"homo": null,
"crystal_system": null,
"efermi": null,
"pbe0_gap": null,
"unit_cell_formula": null,
"nsites": null,
"Tol": null,
"HSE_decomp_energy": null,
"diel_tot": null,
"wycoff": null,
"bulk_modulus_kv": null,
"label": null,
"Material": null,
"Degradation efficiency (%)": null,
"Contact-times": null,
"m06_gap": null,
"density": null,
"Molecular formulas": null,
"AH (h)": null,
"DT (℃)": null,
"spacegroup_number": null,
"scf_cbm": null,
"journal-ref": null,
"Mg": null,
"J.uAcm2_0.63_initialCA": null,
"A site #1": null,
"A site #3": null,
"formation_energy (eV/atom)": null,
"total": null,
"goldschmidt_TF": null,
"surfaces_key": null,
"_oqmd_entry_id": null,
"Dn": null,
"γ＇相尺寸 (nm)": null,
"Ca": null,
"La": null,
"Cation4-mol": null,
"A_Tb": null,
"atoms": null,
"M1_atom_number": null,
"Support_ID": null,
"CO2s": null,
"gap pbe": null,
"net_magmom": null,
"source": null,
"bandgap": null,
"I, mW/cm2": null,
"-log(k), min-1": null,
"Degradation rate(%)": null,
"Pollutant": null,
"Calcination temperature(°C)": null,
"Ti": null,
"固溶温度T (℃)": null,
"hubbards": null,
"update_date": null,
"CH4/O2 (mol/mol)": null,
"PAr (atm)": null,
"Tc": null,
"offset": null,
"shear_modulus_gv": null,
"HF": null,
"atom_en": null,
"HCO3 ion, mM": null,
"Solvent, % vol.": null,
"Country": null,
"min_co2_adsp": null,
"lcd": null,
"total_magnetization": null,
"lumo": null,
"kA/m": null,
"zpve": null,
"H": null,
"e_form": null,
"cycle5": null,
"Nanostructuring": null,
"Polymer type": null,
"Surfactant type": null,
"Temperature, C": null,
"doi": null,
"Al": null,
"OH": null,
"B_Tb": null,
"bp86_homo": null,
"bp86_lumo": null,
"bp86_gap": null,
"bp86_scharber_pce": null,
"max_co2_adsp": null,
"G": null,
"Cv": null,
"surface_area_m2cm3": null,
"A2 site": null,
"cycle2": null,
"Co catalyst": null,
"Functionalization": null,
"Surfactant, % wt.": null,
"Synthesis time": null,
"void_fraction": null,
"optb88vdw_cbm": null,
"Eps_elec": null,
"Extracted Value": null,
"Extracted Units": null,
"initial_atoms": null,
"Formation_E": null,
"B": null,
"C_AtomN": null,
"bp86_scharber_jsc": null,
"R2": null,
"formation_energy_per_atom": null,
"Bsite_NsUnfilled_range": null,
"pld": null,
"CH4-conversion%": null,
"pbe0_scharber_voc": null,
"SDA": null,
"Ge": null,
"Si": null,
"C2H6 yield(%)": null,
"H2O(g)": null,
"pub_year": null,
"BandGap(eV)": null,
"Pore Volume (cm3/g)": null,
"Preparation": null,
"C2H4 yield(%)": null,
"COx": null,
"diel_elec": null,
"ICSD_number": null,
"Fe": null,
"J.uAcm2_0.63_secondCA": null,
"Ref": null,
"defective_energy": null,
"U0": null,
"Preparation method": null,
"Calcination temperature(K)": null,
"PBE_gap": null,
"HSE_gap": null,
"sentence": null,
"C2y": null,
"ITQ": null,
"H2O": null,
"Cation1": null,
"Anion2": null,
"C2selec": null,
"band_gap_dir": null,
"SBET (m2 /g)": null,
"bulk_energy": null,
"gyration_radius_mean_0": null,
"A": null,
"A1": null,
"bader_net_charges": null,
"B_Tm": null,
"ρa": null,
"Reaction": null,
"Calcination time(h)": null,
"In": null,
"SNUMAT_id": null,
"spg": null,
"WeigthMetalLoading": null,
"auid": null,
"Photocatalyst(s)": null,
"MOF_Type": null,
"Phase": null,
"material_type": null,
"Symbol": null,
"固溶时间t (h)": null,
"CO yield(%)": null,
"Reaction solution": null,
"Dopant": null,
"Catalyst/Pollutant mass ratio": null,
"asphericity_mean_0": null,
"En": null,
"Wave length(<nm)": null,
"Solvent type": null,
"Polymer Mwt, kDa": null,
"Dopant/Ti mole ratio": null,
"Illumination time(min)": null,
"Light Type": null,
"Zeo2": null,
"Y": null,
"J.uAcm2_0.80_fromCV": null,
"FD1": null,
"MR1": null,
"MR2": null,
"CO2y": null,
"Au": null,
"Temp (oC)": null,
"CO2 yield (%)": null,
"Structure": null,
"Material Family": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Substrates": null,
"EnergyAboveHull": null,
"Bsite_NdValence_range": null,
"Cited_Time": null,
"gv": null,
"I1b": null,
"X site": null,
"energy_above_hull (meV/atom)": null,
"avg_max": null,
"value": null,
"e_hull": null,
"omega1": null,
"sub_family": null,
"Ru": null,
"mT": null,
"surf_cbm": null,
"PBE_decomp_energy": null,
"enthalpy_formation_298K": null,
"Log_fom": null,
"Par": null,
"Type": null,
"composition": null,
"C2 selectivity (%)": null,
"Year": null,
"C.E. %": null,
"A site #2": null,
"B site #1": null,
"volume": null,
"Other": null,
"FD2": null,
"symbol": null,
"Dense1": null,
"Bn": null,
"Number of elements": null,
"m06_homo": null,
"m06_lumo": null,
"b_key": null,
"B_O": null,
"formation_energy_peratom": null,
"A_AtomN": null,
"Cn": null,
"Bi type in photocatalyst": null,
"light source": null,
"Reaction medium": null,
"Mn": null,
"exfoliation_energy": null,
"BCCmagmom": null,
"emu/g": null,
"O2-pressure": null,
"gga_gap": null,
"report-no": null,
"m06_scharber_voc": null,
"gap": null,
"Multiphase": null,
"Electric field": null,
"C2 yield(%)": null,
"CSM": null,
"axial_distortion": null,
"O2 Conv(%)": null,
"Band_gap_GGA_optical": null,
"Band_gap_HSE_optical": null,
"pbe0_lumo": null,
"C2-yield-class": null,
"Synthesis_Time": null,
"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
"10": null,
"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
"55": null,
"SSA (m2 g -1 )": null,
"MetalPart": null,
"b3lyp_scharber_pce": null,
"HSE_mix_energy": null,
"spg_symbol": null,
"spillage": null,
"C2H4 yield (%)": null,
"formal_charge": null,
"formula": null,
"optb88vdw_bandgap": null,
"Formation_energy": null,
"id": null,
"formation_energy (eV/atom)": null,
"dos_ef": null,
"χpb": null,
"M3": null,
"band_gap_ind": null,
"PBE_mix_energy": null,
"cycle3": null,
"ReactionType": null,
"Calcination temperature(K)": null,
"_oqmd_stability": null,
"COx": null,
"PAr (atm)": null,
"surf_vbm": null,
"ReactionE": null,
"X": null,
"M4": null,
"name": null,
"mu_b": null,
"natoms": null,
"Ref": null,
"axial_distortion": null,
"Cited_Time": null,
"Reaction": null,
"max_co2_adsp": null,
"Cv": null,
"M": "251.89",
"f_enp": null,
"t": null,
"°C": null,
"RH2(µmol h-1 g-1)": null,
"date": null,
"CatW(g/L)": null,
"NH2": null,
"En": null,
"E_AtomN": null,
"elastic_tensor": null,
"B site #1": null,
"Tol": null,
"OC": null,
"energy": null,
"Support": null,
"_oqmd_entry_id": null,
"DOI": null,
"Ln_Kramers": null,
"doi": null,
"Solvent, % vol.": null,
"gap": null,
"enthalpy_formation_298K": null,
"energy_per_atom": null,
"elastic anisotropy": null,
"species": null,
"volume": null,
"B_Tb": null,
"ρa": null,
"crystal_system": null,
"γ＇相尺寸 (nm)": null,
"reaction_energy": null,
"M2": null,
"ΔfusHa": null,
"efermi": null,
"Ra": null,
"final_energy": null,
"Mainproduct": null,
"C2-selectivity": null,
"a_key": null,
"r2": null,
"CH4/O2 (mol/mol)": null,
"C2y": null,
"surfaces_key": null,
"formula_energy": null,
"Tc": null,
"CSM": null,
"cycle1": null,
"band_gap": null,
"alpha": null,
"G": null,
"Par": null,
"avg_max": null,
"decomposition": null,
"Eg(eV)": null,
"sub_family": null,
"Rb": null,
"SMILES_relaxed": null,
"Modulus of Elasticity 10³ Mpa": null,
"enthalpy_atom": null,
"exfoliation_energy": null,
"volume_std_0": null,
"offset": null,
"gga_gap": null,
"B": null,
"ρb": null,
"Acid_OVP": null,
"jid": null,
"Bsite_NdValence_range": null,
"spg_number": null,
"atoms": null,
"A_B": null,
"dfpt_piezo_max_dielectric_ionic": null,
"enthalpy_formation_0K": null,
"symbol": null,
"Band_gap_GGA_optical": null,
"furnace length(mm)": null,
"gap pbe": null,
"c": null,
"total_magnetization": null,
"e_hull": null,
"Ru": null,
"bulk_modulus_kv": null,
"Degradation rate(%)": null,
"material_id": null,
"WeigthMetalLoading": null,
"DT (℃)": null,
"R2": null,
"material_type": null,
"Pore Volume (cm3/g)": null,
"Material Family": null,
"scf_vbm": null,
"Alloying": null,
"optb88vdw_vbm": null,
"e_phase_separation": null,
"CO yield (%)": null,
"mu": null,
"mT": null,
"CH3Ead": null,
"shear_modulus_gv": null,
"report-no": null,
"CH4Ead": null,
"source_folder": null,
"title": null,
"cellpressure": null,
"pbe0_description": null,
"initial_atoms": null,
"bader_atomic_volumes": null,
"e_above_hull": null,
"HSE_gap": null,
"Log_fom": null,
"PBE_decomp_energy": null,
"method": null,
"defective_energy": null,
"shear modulus": null,
"magmom_oszicar": null,
"Robs": null,
"closest_polyhedron": null,
"m06_homo": null,
"pH": null,
"Ra/Rb": null,
"e_form": null,
"CH4-pressure": null,
"phon_dat": null,
"m06_scharber_voc": null,
"elasticity": null,
"src": null,
"Material": null,
"Ref.": null,
"indir_gap": null,
"lumo": null,
"mbj_bandgap": null,
"authors_parsed": null,
"license": null,
"Ni": null,
"B site #2": null,
"similarity": null,
"Reactor_Volume": null,
"activation_energy": null,
"Country": null,
"Illumination time (min)": null,
"goldschmidt_TF_ionic": null,
"elements": null,
"M1": null,
"_oqmd_band_gap": null,
"abstract": null,
"Lattice": null,
"时效温度T (℃)": null,
"comments": null,
"cycle5": null,
"_oqmd_delta_e": null,
"surf_cbm": null,
"chem_pot": null,
"Y": null,
"Cation4": null,
"I1b": null,
"mat_id": null,
"bulk modulus": null,
"scf_cbm": null,
"Product": null,
"source_id": null,
"min_co2_adsp": null,
"Catalyst/Pollutant mass ratio": null,
"时效时间t (h)": null,
"Degradation efficiency (%)": null,
"SBET(m2/g)": null,
"mol_weight": null,
"authors": null,
"nsites": null,
"versions": null,
"nat": null,
"C2 yield (%)": null,
"Time": null,
"Photocatalyst dose(g L-1)": null,
"ef": null,
"diel_tot": null,
"PM": null,
"Stirring, rpm": null,
"full_formula": null,
"AH (h)": null,
"IF": null,
"U": null,
"surface_area_m2cm3": null,
"Eps_elec": null,
"bertz_ct_mean_0": null,
"composition": null,
"diel": null,
"CT (℃)": null,
"A2 site": null,
"C.E. %": null,
"Synthesis time": null,
"bp86_scharber_pce": null,
"optb88vdw_cbm": null,
"bp86_homo": null,
"lcd": null,
"X site": null,
"zpve": null,
"Ref_ind": null,
"Total flow (mL/min)": null,
"pld": null,
"Duration of cycles (h)": null,
"update_date": null,
"Year": null,
"B site #3": null,
"Polymer type": null,
"B_O": null,
"PBE_gap": null,
"Normalised Value": null,
"slme": null,
"surf_en": null,
"An": null,
"icsd_ids": null,
"EnergyAboveHull": null,
"location": null,
"source": null,
"O2-pressure": null,
"Indexed_Date": null,
"pbe0_gap": null,
"FD1": null,
"Am": null,
"wavelength": null,
"label": null,
"CH4/O2 ratio": null,
"concentration": null,
"Base": null,
"categories": null,
"bp86_lumo": null,
"Antibiotic dosage (mg/L)": null,
"AA": null,
"Cation3": null,
"Cation3-mol": null,
"vol": null,
"Magnetic_ordering": null,
"Number of elements": null,
"Mg": null,
"Power(W)": null,
"Light intensity(W)": null,
"µ_B/f.u.": null,
"A_Tm": null,
"Perovskite": null,
"Dense2": null,
"Temperature": null,
"Am^2/kg": null,
"total_mag": null,
"kv": null,
"loading (g/l)": null,
"bandgap": null,
"osda smiles": null,
"Surface Area(m2/g)": null,
"bulk_formula": null,
"B_Tm": null,
"energy_atom": null,
"EAa": null,
"Catalyst": null,
"Doping": null,
"Type": null,
"Band_gap_HSE": null,
"spacegroup_number": null,
"J.uAcm2_0.63_secondCA": null,
"Direct_or_indirect_HSE": null,
"homo": null,
"Illumination time(min)": null,
"ref": null,
"cycle4": null,
"coordination_number": null,
"sigvol": null,
"omega1": null,
"aurl": null,
"H": null,
"B2 site": null,
"formation_energy_peratom": null,
"total": null,
"final_atoms": null,
"exfoliation_energy_per_atom": null,
"MP (K)": null,
"Co": null,
"diffrtemp": null,
"-log(k), min-1": null,
"formation_energy_per_atom": null,
"T, oC": null,
"CO3 ion, mM": null,
"poisson": null,
"Preparation method": null,
"Volume": null,
"inertial_shape_factor_std_0": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Light Type": null,
"func": null,
"Temperature, C": null,
"octahedral_factor_ionic": null,
"void_fraction": null,
"ProdRate(μmol/g)": null,
"a": null,
"bulk_energy": null,
"D, g/L": null,
"Al": null,
"Po2": null,
"egap_fit": null,
"La": null,
"Warning_OER.1": null,
"HOMO": null,
"Pt": null,
"overpotential V": null,
"nelements": null,
"energy_above_hull (meV/atom)": null,
"C2 selectivity (%)": null,
"ZPVE": null,
"Journal_Name": null,
"Facility": null,
"Judge_Hydrothermal": null,
"stress": null,
"BandGap(eV)": null,
"EAb": null,
"Pch4": null,
"unit": null,
"slope_CSM": null,
"surf_dat": null,
"prototype_id": null,
"-V vs. RHE V": null,
"Au": null,
"K": null,
"unit_cell_formula": null,
"ff_vac": null,
"b3lyp_scharber_jsc": null,
"spg": null,
"Surfactant type": null,
"A m^2/kg": null,
"energy_corrected": null,
"I, mW/cm2": null,
"Ca ion, mM": null,
"Nanostructuring": null,
"spacegroup": null,
"Substrates": null,
"J.uAcm2_0.63_initialCA": null,
"Surface Strain": null,
"hse_gap": null,
"Ca": null,
"X1": null,
"pretty_formula": null,
"MR1": null,
"C_AtomN": null,
"A site #3": null,
"goldschmidt_TF": null,
"Direct_or_indirect": null,
"value": null,
"co2_pressures": null,
"wycoff": null,
"C0, mg/L": null,
"ab": null,
"HCO3 ion, mM": null,
"Surfactant, % wt.": null,
"Direct_Band": null,
"Yield (μmol/g/h)": null,
"Solvent type": null,
"num_bonds_mean_0": null,
"atom_en": null,
"at. wt.": null,
"spacegroup_symbol": null,
"CIF_type": null,
"PBE_latt_const": null,
"surface_area_m2g": null,
"vac_dat": null,
"sgNumber": null,
"Anion2-mol": null,
"topology": null,
"cycle2": null,
"Dope": null,
"Space_group_rlx": null,
"chemical_family": null,
"journal-ref": null,
"A_Tb": null,
"net_magmom": null,
"Band_gap_HSE_optical": null,
"Ionic Radius (angstroms)": null,
"pbe0_homo": null,
"CH4 Conv(%)": null,
"band_gap_dir": null,
"pub_year": null,
"axes_mean_0": null,
"Polymer, % wt.": null,
"Resource": null,
"Support1-mol": null,
"Additional": null,
"search": null,
"Reaction solution": null,
"Si": null,
"C2s": null,
"OH": null,
"CH4 conversion (%)": null,
"co2_absp": null,
"CIF_file_name": null,
"HSE_decomp_energy": null,
"A site #2": null,
"year": null,
"U0": null
} | simple | In a tabular data structure, locate the cells that meet the requirements. | Determine the molar mass (M) of a material with bandgap energy (Eg) of {} eV. |
Return the source identifier for the compound with total magnetization 0.0887066. | table67 | [
"total_magnetization",
"source_id"
] | [
"total_magnetization"
] | [
"source_id"
] | {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"PM": null,
"CT (℃)": null,
"SBET(m2/g)": null,
"ReactionType": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"jid": null,
"magmom_oszicar": null,
"M3": null,
"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"osda smiles": null,
"search": null,
"formula": null,
"Material Composition": null,
"goldschmidt_TF_ionic": null,
"octahedral_factor": null,
"shear modulus": null,
"elastic anisotropy": null,
"prototype_id": null,
"elements": null,
"Materials": null,
"M1": null,
"CH4 conversion (%)": null,
"location": null,
"id": null,
"Full Name of Perovskite": null,
"MetalRatio": null,
"Eg(eV)": null,
"_oqmd_delta_e": null,
"CH4-pressure": null,
"spg_number": null,
"Support": null,
"M2": null,
"C2 yield (%)": null,
"Base": null,
"Composition": null,
"Surface Area(m2/g)": null,
"O2 Conv. (%)": null,
"M3 (wt%)": null,
"inchi": null,
"co2_absp": null,
"surface_area_m2g": null,
"co2_pressures": null,
"spacegroup_symbol": null,
"indir_gap": null,
"source_folder": null,
"OC": null,
"C0, mg/L": null,
"compound": null,
"chemical_family": null,
"DOI": null,
"Catalyst": null,
"natoms": null,
"stress": null,
"Ra": null,
"Rb": null,
"χpa": null,
"emu/cm^3": null,
"Molecular formula": null,
"file": null,
"Exp": null,
"E_AtomN": null,
"Indirect_Band": null,
"Volume": null,
"Lattice": null,
"D": null,
"spg_symbol": null,
"PBE_latt_const": null,
"HSE_latt_const": null,
"Ra/Rb": null,
"poisson": null,
"pH": null,
"T, oC": null,
"spacegroup": null,
"MetalPart": null,
"paper_number": null,
"Ln_ion": null,
"CIF_file_name": null,
"title": null,
"Ca ion, mM": null,
"CO3 ion, mM": null,
"Stirring, rpm": null,
"species": null,
"name": null,
"I1a": null,
"A_Tm": null,
"energy_per_atom": null,
"f_enp": null,
"Co": null,
"Ni": null,
"时效温度T (℃)": null,
"时效时间t (h)": null,
"b": null,
"a": null,
"surfaces": null,
"AA": null,
"A_AtimicN": null,
"Code": null,
"EAa": null,
"ρb": null,
"Anion1": null,
"Cation2": null,
"Temperature": null,
"_oqmd_band_gap": null,
"_oqmd_stability": null,
"authors": null,
"categories": null,
"hse_gap": null,
"mu": null,
"Temp. (℃)": null,
"ab": null,
"ab_key": null,
"reaction_energy": null,
"material_id": null,
"exfoliation_energy_per_atom": null,
"A site": null,
"B2 site": null,
"Duration of cycles (h)": null,
"pretty_formula": null,
"SMILES": null,
"SMILES_relaxed": null,
"scf_vbm": null,
"e_above_hull": null,
"t": null,
"χpb": null,
"HOMO": null,
"LUMO": null,
"Atomic Radius (Å)": null,
"egap": null,
"optb88vdw_bandgap": null,
"diel_ion": null,
"src": null,
"A mole": null,
"RH2(µmol h-1 g-1)": null,
"M": null,
"Pch4": null,
"Po2": null,
"Facility": null,
"Journal_Name": null,
"Acid_OVP": null,
"formula_energy": null,
"bulk_formula": null,
"chem_pot": null,
"Formation_energy": null,
"A_O": null,
"max_ir_mode": null,
"ff_vac": null,
"Space_group_rlx": null,
"Magnetic_ordering": null,
"C missing(%)": null,
"Resource": null,
"Total flow (mL/min)": null,
"B site": null,
"cycle3": null,
"mu_b": null,
"authors_parsed": null,
"oxide_type": null,
"icsd_ids": null,
"Perovskite": null,
"bulk modulus": null,
"Pt": null,
"Rh": null,
"Onset": null,
"optb88vdw_vbm": null,
"similarity": null,
"func": null,
"source_id": null,
"SSA (m2 g -1 )": null,
"EAb": null,
"ef": null,
"Surface area (m2/g)": null,
"Illumination time (min)": null,
"Catalyst label": null,
"surf_vbm": null,
"final_energy": null,
"M4": null,
"CO yield (%)": null,
"alpha": null,
"mat_id": null,
"A/m": null,
"submitter": null,
"CO2 yield(%)": null,
"Dope": null,
"D, g/L": null,
"homo": null,
"crystal_system": null,
"efermi": null,
"pbe0_gap": null,
"unit_cell_formula": null,
"nsites": null,
"Tol": null,
"HSE_decomp_energy": null,
"diel_tot": null,
"wycoff": null,
"bulk_modulus_kv": null,
"label": null,
"Material": null,
"Degradation efficiency (%)": null,
"Contact-times": null,
"m06_gap": null,
"density": null,
"Molecular formulas": null,
"AH (h)": null,
"DT (℃)": null,
"spacegroup_number": null,
"scf_cbm": null,
"journal-ref": null,
"Mg": null,
"J.uAcm2_0.63_initialCA": null,
"A site #1": null,
"A site #3": null,
"formation_energy (eV/atom)": null,
"total": null,
"goldschmidt_TF": null,
"surfaces_key": null,
"_oqmd_entry_id": null,
"Dn": null,
"γ＇相尺寸 (nm)": null,
"Ca": null,
"La": null,
"Cation4-mol": null,
"A_Tb": null,
"atoms": null,
"M1_atom_number": null,
"Support_ID": null,
"CO2s": null,
"gap pbe": null,
"net_magmom": null,
"source": null,
"bandgap": null,
"I, mW/cm2": null,
"-log(k), min-1": null,
"Degradation rate(%)": null,
"Pollutant": null,
"Calcination temperature(°C)": null,
"Ti": null,
"固溶温度T (℃)": null,
"hubbards": null,
"update_date": null,
"CH4/O2 (mol/mol)": null,
"PAr (atm)": null,
"Tc": null,
"offset": null,
"shear_modulus_gv": null,
"HF": null,
"atom_en": null,
"HCO3 ion, mM": null,
"Solvent, % vol.": null,
"Country": null,
"min_co2_adsp": null,
"lcd": null,
"total_magnetization": "0.0887066",
"lumo": null,
"kA/m": null,
"zpve": null,
"H": null,
"e_form": null,
"cycle5": null,
"Nanostructuring": null,
"Polymer type": null,
"Surfactant type": null,
"Temperature, C": null,
"doi": null,
"Al": null,
"OH": null,
"B_Tb": null,
"bp86_homo": null,
"bp86_lumo": null,
"bp86_gap": null,
"bp86_scharber_pce": null,
"max_co2_adsp": null,
"G": null,
"Cv": null,
"surface_area_m2cm3": null,
"A2 site": null,
"cycle2": null,
"Co catalyst": null,
"Functionalization": null,
"Surfactant, % wt.": null,
"Synthesis time": null,
"void_fraction": null,
"optb88vdw_cbm": null,
"Eps_elec": null,
"Extracted Value": null,
"Extracted Units": null,
"initial_atoms": null,
"Formation_E": null,
"B": null,
"C_AtomN": null,
"bp86_scharber_jsc": null,
"R2": null,
"formation_energy_per_atom": null,
"Bsite_NsUnfilled_range": null,
"pld": null,
"CH4-conversion%": null,
"pbe0_scharber_voc": null,
"SDA": null,
"Ge": null,
"Si": null,
"C2H6 yield(%)": null,
"H2O(g)": null,
"pub_year": null,
"BandGap(eV)": null,
"Pore Volume (cm3/g)": null,
"Preparation": null,
"C2H4 yield(%)": null,
"COx": null,
"diel_elec": null,
"ICSD_number": null,
"Fe": null,
"J.uAcm2_0.63_secondCA": null,
"Ref": null,
"defective_energy": null,
"U0": null,
"Preparation method": null,
"Calcination temperature(K)": null,
"PBE_gap": null,
"HSE_gap": null,
"sentence": null,
"C2y": null,
"ITQ": null,
"H2O": null,
"Cation1": null,
"Anion2": null,
"C2selec": null,
"band_gap_dir": null,
"SBET (m2 /g)": null,
"bulk_energy": null,
"gyration_radius_mean_0": null,
"A": null,
"A1": null,
"bader_net_charges": null,
"B_Tm": null,
"ρa": null,
"Reaction": null,
"Calcination time(h)": null,
"In": null,
"SNUMAT_id": null,
"spg": null,
"WeigthMetalLoading": null,
"auid": null,
"Photocatalyst(s)": null,
"MOF_Type": null,
"Phase": null,
"material_type": null,
"Symbol": null,
"固溶时间t (h)": null,
"CO yield(%)": null,
"Reaction solution": null,
"Dopant": null,
"Catalyst/Pollutant mass ratio": null,
"asphericity_mean_0": null,
"En": null,
"Wave length(<nm)": null,
"Solvent type": null,
"Polymer Mwt, kDa": null,
"Dopant/Ti mole ratio": null,
"Illumination time(min)": null,
"Light Type": null,
"Zeo2": null,
"Y": null,
"J.uAcm2_0.80_fromCV": null,
"FD1": null,
"MR1": null,
"MR2": null,
"CO2y": null,
"Au": null,
"Temp (oC)": null,
"CO2 yield (%)": null,
"Structure": null,
"Material Family": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Substrates": null,
"EnergyAboveHull": null,
"Bsite_NdValence_range": null,
"Cited_Time": null,
"gv": null,
"I1b": null,
"X site": null,
"energy_above_hull (meV/atom)": null,
"avg_max": null,
"value": null,
"e_hull": null,
"omega1": null,
"sub_family": null,
"Ru": null,
"mT": null,
"surf_cbm": null,
"PBE_decomp_energy": null,
"enthalpy_formation_298K": null,
"Log_fom": null,
"Par": null,
"Type": null,
"composition": null,
"C2 selectivity (%)": null,
"Year": null,
"C.E. %": null,
"A site #2": null,
"B site #1": null,
"volume": null,
"Other": null,
"FD2": null,
"symbol": null,
"Dense1": null,
"Bn": null,
"Number of elements": null,
"m06_homo": null,
"m06_lumo": null,
"b_key": null,
"B_O": null,
"formation_energy_peratom": null,
"A_AtomN": null,
"Cn": null,
"Bi type in photocatalyst": null,
"light source": null,
"Reaction medium": null,
"Mn": null,
"exfoliation_energy": null,
"BCCmagmom": null,
"emu/g": null,
"O2-pressure": null,
"gga_gap": null,
"report-no": null,
"m06_scharber_voc": null,
"gap": null,
"Multiphase": null,
"Electric field": null,
"C2 yield(%)": null,
"CSM": null,
"axial_distortion": null,
"O2 Conv(%)": null,
"Band_gap_GGA_optical": null,
"Band_gap_HSE_optical": null,
"pbe0_lumo": null,
"C2-yield-class": null,
"Synthesis_Time": null,
"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
"10": null,
"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
"55": null,
"SSA (m2 g -1 )": null,
"MetalPart": null,
"b3lyp_scharber_pce": null,
"HSE_mix_energy": null,
"spg_symbol": null,
"spillage": null,
"C2H4 yield (%)": null,
"formal_charge": null,
"formula": null,
"optb88vdw_bandgap": null,
"Formation_energy": null,
"id": null,
"formation_energy (eV/atom)": null,
"dos_ef": null,
"χpb": null,
"M3": null,
"band_gap_ind": null,
"PBE_mix_energy": null,
"cycle3": null,
"ReactionType": null,
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"_oqmd_stability": null,
"COx": null,
"PAr (atm)": null,
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"ReactionE": null,
"X": null,
"M4": null,
"name": null,
"mu_b": null,
"natoms": null,
"Ref": null,
"axial_distortion": null,
"Cited_Time": null,
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"max_co2_adsp": null,
"Cv": null,
"M": null,
"f_enp": null,
"t": null,
"°C": null,
"RH2(µmol h-1 g-1)": null,
"date": null,
"CatW(g/L)": null,
"NH2": null,
"En": null,
"E_AtomN": null,
"elastic_tensor": null,
"B site #1": null,
"Tol": null,
"OC": null,
"energy": null,
"Support": null,
"_oqmd_entry_id": null,
"DOI": null,
"Ln_Kramers": null,
"doi": null,
"Solvent, % vol.": null,
"gap": null,
"enthalpy_formation_298K": null,
"energy_per_atom": null,
"elastic anisotropy": null,
"species": null,
"volume": null,
"B_Tb": null,
"ρa": null,
"crystal_system": null,
"γ＇相尺寸 (nm)": null,
"reaction_energy": null,
"M2": null,
"ΔfusHa": null,
"efermi": null,
"Ra": null,
"final_energy": null,
"Mainproduct": null,
"C2-selectivity": null,
"a_key": null,
"r2": null,
"CH4/O2 (mol/mol)": null,
"C2y": null,
"surfaces_key": null,
"formula_energy": null,
"Tc": null,
"CSM": null,
"cycle1": null,
"band_gap": null,
"alpha": null,
"G": null,
"Par": null,
"avg_max": null,
"decomposition": null,
"Eg(eV)": null,
"sub_family": null,
"Rb": null,
"SMILES_relaxed": null,
"Modulus of Elasticity 10³ Mpa": null,
"enthalpy_atom": null,
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"volume_std_0": null,
"offset": null,
"gga_gap": null,
"B": null,
"ρb": null,
"Acid_OVP": null,
"jid": null,
"Bsite_NdValence_range": null,
"spg_number": null,
"atoms": null,
"A_B": null,
"dfpt_piezo_max_dielectric_ionic": null,
"enthalpy_formation_0K": null,
"symbol": null,
"Band_gap_GGA_optical": null,
"furnace length(mm)": null,
"gap pbe": null,
"c": null,
"total_magnetization": null,
"e_hull": null,
"Ru": null,
"bulk_modulus_kv": null,
"Degradation rate(%)": null,
"material_id": null,
"WeigthMetalLoading": null,
"DT (℃)": null,
"R2": null,
"material_type": null,
"Pore Volume (cm3/g)": null,
"Material Family": null,
"scf_vbm": null,
"Alloying": null,
"optb88vdw_vbm": null,
"e_phase_separation": null,
"CO yield (%)": null,
"mu": null,
"mT": null,
"CH3Ead": null,
"shear_modulus_gv": null,
"report-no": null,
"CH4Ead": null,
"source_folder": null,
"title": null,
"cellpressure": null,
"pbe0_description": null,
"initial_atoms": null,
"bader_atomic_volumes": null,
"e_above_hull": null,
"HSE_gap": null,
"Log_fom": null,
"PBE_decomp_energy": null,
"method": null,
"defective_energy": null,
"shear modulus": null,
"magmom_oszicar": null,
"Robs": null,
"closest_polyhedron": null,
"m06_homo": null,
"pH": null,
"Ra/Rb": null,
"e_form": null,
"CH4-pressure": null,
"phon_dat": null,
"m06_scharber_voc": null,
"elasticity": null,
"src": null,
"Material": null,
"Ref.": null,
"indir_gap": null,
"lumo": null,
"mbj_bandgap": null,
"authors_parsed": null,
"license": null,
"Ni": null,
"B site #2": null,
"similarity": null,
"Reactor_Volume": null,
"activation_energy": null,
"Country": null,
"Illumination time (min)": null,
"goldschmidt_TF_ionic": null,
"elements": null,
"M1": null,
"_oqmd_band_gap": null,
"abstract": null,
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"时效温度T (℃)": null,
"comments": null,
"cycle5": null,
"_oqmd_delta_e": null,
"surf_cbm": null,
"chem_pot": null,
"Y": null,
"Cation4": null,
"I1b": null,
"mat_id": null,
"bulk modulus": null,
"scf_cbm": null,
"Product": null,
"source_id": "mvc-12841",
"min_co2_adsp": null,
"Catalyst/Pollutant mass ratio": null,
"时效时间t (h)": null,
"Degradation efficiency (%)": null,
"SBET(m2/g)": null,
"mol_weight": null,
"authors": null,
"nsites": null,
"versions": null,
"nat": null,
"C2 yield (%)": null,
"Time": null,
"Photocatalyst dose(g L-1)": null,
"ef": null,
"diel_tot": null,
"PM": null,
"Stirring, rpm": null,
"full_formula": null,
"AH (h)": null,
"IF": null,
"U": null,
"surface_area_m2cm3": null,
"Eps_elec": null,
"bertz_ct_mean_0": null,
"composition": null,
"diel": null,
"CT (℃)": null,
"A2 site": null,
"C.E. %": null,
"Synthesis time": null,
"bp86_scharber_pce": null,
"optb88vdw_cbm": null,
"bp86_homo": null,
"lcd": null,
"X site": null,
"zpve": null,
"Ref_ind": null,
"Total flow (mL/min)": null,
"pld": null,
"Duration of cycles (h)": null,
"update_date": null,
"Year": null,
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"Polymer type": null,
"B_O": null,
"PBE_gap": null,
"Normalised Value": null,
"slme": null,
"surf_en": null,
"An": null,
"icsd_ids": null,
"EnergyAboveHull": null,
"location": null,
"source": null,
"O2-pressure": null,
"Indexed_Date": null,
"pbe0_gap": null,
"FD1": null,
"Am": null,
"wavelength": null,
"label": null,
"CH4/O2 ratio": null,
"concentration": null,
"Base": null,
"categories": null,
"bp86_lumo": null,
"Antibiotic dosage (mg/L)": null,
"AA": null,
"Cation3": null,
"Cation3-mol": null,
"vol": null,
"Magnetic_ordering": null,
"Number of elements": null,
"Mg": null,
"Power(W)": null,
"Light intensity(W)": null,
"µ_B/f.u.": null,
"A_Tm": null,
"Perovskite": null,
"Dense2": null,
"Temperature": null,
"Am^2/kg": null,
"total_mag": null,
"kv": null,
"loading (g/l)": null,
"bandgap": null,
"osda smiles": null,
"Surface Area(m2/g)": null,
"bulk_formula": null,
"B_Tm": null,
"energy_atom": null,
"EAa": null,
"Catalyst": null,
"Doping": null,
"Type": null,
"Band_gap_HSE": null,
"spacegroup_number": null,
"J.uAcm2_0.63_secondCA": null,
"Direct_or_indirect_HSE": null,
"homo": null,
"Illumination time(min)": null,
"ref": null,
"cycle4": null,
"coordination_number": null,
"sigvol": null,
"omega1": null,
"aurl": null,
"H": null,
"B2 site": null,
"formation_energy_peratom": null,
"total": null,
"final_atoms": null,
"exfoliation_energy_per_atom": null,
"MP (K)": null,
"Co": null,
"diffrtemp": null,
"-log(k), min-1": null,
"formation_energy_per_atom": null,
"T, oC": null,
"CO3 ion, mM": null,
"poisson": null,
"Preparation method": null,
"Volume": null,
"inertial_shape_factor_std_0": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Light Type": null,
"func": null,
"Temperature, C": null,
"octahedral_factor_ionic": null,
"void_fraction": null,
"ProdRate(μmol/g)": null,
"a": null,
"bulk_energy": null,
"D, g/L": null,
"Al": null,
"Po2": null,
"egap_fit": null,
"La": null,
"Warning_OER.1": null,
"HOMO": null,
"Pt": null,
"overpotential V": null,
"nelements": null,
"energy_above_hull (meV/atom)": null,
"C2 selectivity (%)": null,
"ZPVE": null,
"Journal_Name": null,
"Facility": null,
"Judge_Hydrothermal": null,
"stress": null,
"BandGap(eV)": null,
"EAb": null,
"Pch4": null,
"unit": null,
"slope_CSM": null,
"surf_dat": null,
"prototype_id": null,
"-V vs. RHE V": null,
"Au": null,
"K": null,
"unit_cell_formula": null,
"ff_vac": null,
"b3lyp_scharber_jsc": null,
"spg": null,
"Surfactant type": null,
"A m^2/kg": null,
"energy_corrected": null,
"I, mW/cm2": null,
"Ca ion, mM": null,
"Nanostructuring": null,
"spacegroup": null,
"Substrates": null,
"J.uAcm2_0.63_initialCA": null,
"Surface Strain": null,
"hse_gap": null,
"Ca": null,
"X1": null,
"pretty_formula": null,
"MR1": null,
"C_AtomN": null,
"A site #3": null,
"goldschmidt_TF": null,
"Direct_or_indirect": null,
"value": null,
"co2_pressures": null,
"wycoff": null,
"C0, mg/L": null,
"ab": null,
"HCO3 ion, mM": null,
"Surfactant, % wt.": null,
"Direct_Band": null,
"Yield (μmol/g/h)": null,
"Solvent type": null,
"num_bonds_mean_0": null,
"atom_en": null,
"at. wt.": null,
"spacegroup_symbol": null,
"CIF_type": null,
"PBE_latt_const": null,
"surface_area_m2g": null,
"vac_dat": null,
"sgNumber": null,
"Anion2-mol": null,
"topology": null,
"cycle2": null,
"Dope": null,
"Space_group_rlx": null,
"chemical_family": null,
"journal-ref": null,
"A_Tb": null,
"net_magmom": null,
"Band_gap_HSE_optical": null,
"Ionic Radius (angstroms)": null,
"pbe0_homo": null,
"CH4 Conv(%)": null,
"band_gap_dir": null,
"pub_year": null,
"axes_mean_0": null,
"Polymer, % wt.": null,
"Resource": null,
"Support1-mol": null,
"Additional": null,
"search": null,
"Reaction solution": null,
"Si": null,
"C2s": null,
"OH": null,
"CH4 conversion (%)": null,
"co2_absp": null,
"CIF_file_name": null,
"HSE_decomp_energy": null,
"A site #2": null,
"year": null,
"U0": null
} | simple | In a tabular data structure, locate the cells that meet the requirements. | Return the source identifier for the compound with total magnetization {}. |
Given PBE and HSE bandgaps of 1.79 eV and 2.64 eV, what is the refractive index (Ref_ind) of the material? | table49 | [
"PBE_gap",
"HSE_gap",
"Ref_ind"
] | [
"PBE_gap",
"HSE_gap"
] | [
"Ref_ind"
] | {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"PM": null,
"CT (℃)": null,
"SBET(m2/g)": null,
"ReactionType": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"jid": null,
"magmom_oszicar": null,
"M3": null,
"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"osda smiles": null,
"search": null,
"formula": null,
"Material Composition": null,
"goldschmidt_TF_ionic": null,
"octahedral_factor": null,
"shear modulus": null,
"elastic anisotropy": null,
"prototype_id": null,
"elements": null,
"Materials": null,
"M1": null,
"CH4 conversion (%)": null,
"location": null,
"id": null,
"Full Name of Perovskite": null,
"MetalRatio": null,
"Eg(eV)": null,
"_oqmd_delta_e": null,
"CH4-pressure": null,
"spg_number": null,
"Support": null,
"M2": null,
"C2 yield (%)": null,
"Base": null,
"Composition": null,
"Surface Area(m2/g)": null,
"O2 Conv. (%)": null,
"M3 (wt%)": null,
"inchi": null,
"co2_absp": null,
"surface_area_m2g": null,
"co2_pressures": null,
"spacegroup_symbol": null,
"indir_gap": null,
"source_folder": null,
"OC": null,
"C0, mg/L": null,
"compound": null,
"chemical_family": null,
"DOI": null,
"Catalyst": null,
"natoms": null,
"stress": null,
"Ra": null,
"Rb": null,
"χpa": null,
"emu/cm^3": null,
"Molecular formula": null,
"file": null,
"Exp": null,
"E_AtomN": null,
"Indirect_Band": null,
"Volume": null,
"Lattice": null,
"D": null,
"spg_symbol": null,
"PBE_latt_const": null,
"HSE_latt_const": null,
"Ra/Rb": null,
"poisson": null,
"pH": null,
"T, oC": null,
"spacegroup": null,
"MetalPart": null,
"paper_number": null,
"Ln_ion": null,
"CIF_file_name": null,
"title": null,
"Ca ion, mM": null,
"CO3 ion, mM": null,
"Stirring, rpm": null,
"species": null,
"name": null,
"I1a": null,
"A_Tm": null,
"energy_per_atom": null,
"f_enp": null,
"Co": null,
"Ni": null,
"时效温度T (℃)": null,
"时效时间t (h)": null,
"b": null,
"a": null,
"surfaces": null,
"AA": null,
"A_AtimicN": null,
"Code": null,
"EAa": null,
"ρb": null,
"Anion1": null,
"Cation2": null,
"Temperature": null,
"_oqmd_band_gap": null,
"_oqmd_stability": null,
"authors": null,
"categories": null,
"hse_gap": null,
"mu": null,
"Temp. (℃)": null,
"ab": null,
"ab_key": null,
"reaction_energy": null,
"material_id": null,
"exfoliation_energy_per_atom": null,
"A site": null,
"B2 site": null,
"Duration of cycles (h)": null,
"pretty_formula": null,
"SMILES": null,
"SMILES_relaxed": null,
"scf_vbm": null,
"e_above_hull": null,
"t": null,
"χpb": null,
"HOMO": null,
"LUMO": null,
"Atomic Radius (Å)": null,
"egap": null,
"optb88vdw_bandgap": null,
"diel_ion": null,
"src": null,
"A mole": null,
"RH2(µmol h-1 g-1)": null,
"M": null,
"Pch4": null,
"Po2": null,
"Facility": null,
"Journal_Name": null,
"Acid_OVP": null,
"formula_energy": null,
"bulk_formula": null,
"chem_pot": null,
"Formation_energy": null,
"A_O": null,
"max_ir_mode": null,
"ff_vac": null,
"Space_group_rlx": null,
"Magnetic_ordering": null,
"C missing(%)": null,
"Resource": null,
"Total flow (mL/min)": null,
"B site": null,
"cycle3": null,
"mu_b": null,
"authors_parsed": null,
"oxide_type": null,
"icsd_ids": null,
"Perovskite": null,
"bulk modulus": null,
"Pt": null,
"Rh": null,
"Onset": null,
"optb88vdw_vbm": null,
"similarity": null,
"func": null,
"source_id": null,
"SSA (m2 g -1 )": null,
"EAb": null,
"ef": null,
"Surface area (m2/g)": null,
"Illumination time (min)": null,
"Catalyst label": null,
"surf_vbm": null,
"final_energy": null,
"M4": null,
"CO yield (%)": null,
"alpha": null,
"mat_id": null,
"A/m": null,
"submitter": null,
"CO2 yield(%)": null,
"Dope": null,
"D, g/L": null,
"homo": null,
"crystal_system": null,
"efermi": null,
"pbe0_gap": null,
"unit_cell_formula": null,
"nsites": null,
"Tol": null,
"HSE_decomp_energy": null,
"diel_tot": null,
"wycoff": null,
"bulk_modulus_kv": null,
"label": null,
"Material": null,
"Degradation efficiency (%)": null,
"Contact-times": null,
"m06_gap": null,
"density": null,
"Molecular formulas": null,
"AH (h)": null,
"DT (℃)": null,
"spacegroup_number": null,
"scf_cbm": null,
"journal-ref": null,
"Mg": null,
"J.uAcm2_0.63_initialCA": null,
"A site #1": null,
"A site #3": null,
"formation_energy (eV/atom)": null,
"total": null,
"goldschmidt_TF": null,
"surfaces_key": null,
"_oqmd_entry_id": null,
"Dn": null,
"γ＇相尺寸 (nm)": null,
"Ca": null,
"La": null,
"Cation4-mol": null,
"A_Tb": null,
"atoms": null,
"M1_atom_number": null,
"Support_ID": null,
"CO2s": null,
"gap pbe": null,
"net_magmom": null,
"source": null,
"bandgap": null,
"I, mW/cm2": null,
"-log(k), min-1": null,
"Degradation rate(%)": null,
"Pollutant": null,
"Calcination temperature(°C)": null,
"Ti": null,
"固溶温度T (℃)": null,
"hubbards": null,
"update_date": null,
"CH4/O2 (mol/mol)": null,
"PAr (atm)": null,
"Tc": null,
"offset": null,
"shear_modulus_gv": null,
"HF": null,
"atom_en": null,
"HCO3 ion, mM": null,
"Solvent, % vol.": null,
"Country": null,
"min_co2_adsp": null,
"lcd": null,
"total_magnetization": null,
"lumo": null,
"kA/m": null,
"zpve": null,
"H": null,
"e_form": null,
"cycle5": null,
"Nanostructuring": null,
"Polymer type": null,
"Surfactant type": null,
"Temperature, C": null,
"doi": null,
"Al": null,
"OH": null,
"B_Tb": null,
"bp86_homo": null,
"bp86_lumo": null,
"bp86_gap": null,
"bp86_scharber_pce": null,
"max_co2_adsp": null,
"G": null,
"Cv": null,
"surface_area_m2cm3": null,
"A2 site": null,
"cycle2": null,
"Co catalyst": null,
"Functionalization": null,
"Surfactant, % wt.": null,
"Synthesis time": null,
"void_fraction": null,
"optb88vdw_cbm": null,
"Eps_elec": null,
"Extracted Value": null,
"Extracted Units": null,
"initial_atoms": null,
"Formation_E": null,
"B": null,
"C_AtomN": null,
"bp86_scharber_jsc": null,
"R2": null,
"formation_energy_per_atom": null,
"Bsite_NsUnfilled_range": null,
"pld": null,
"CH4-conversion%": null,
"pbe0_scharber_voc": null,
"SDA": null,
"Ge": null,
"Si": null,
"C2H6 yield(%)": null,
"H2O(g)": null,
"pub_year": null,
"BandGap(eV)": null,
"Pore Volume (cm3/g)": null,
"Preparation": null,
"C2H4 yield(%)": null,
"COx": null,
"diel_elec": null,
"ICSD_number": null,
"Fe": null,
"J.uAcm2_0.63_secondCA": null,
"Ref": null,
"defective_energy": null,
"U0": null,
"Preparation method": null,
"Calcination temperature(K)": null,
"PBE_gap": "1.79",
"HSE_gap": "2.64",
"sentence": null,
"C2y": null,
"ITQ": null,
"H2O": null,
"Cation1": null,
"Anion2": null,
"C2selec": null,
"band_gap_dir": null,
"SBET (m2 /g)": null,
"bulk_energy": null,
"gyration_radius_mean_0": null,
"A": null,
"A1": null,
"bader_net_charges": null,
"B_Tm": null,
"ρa": null,
"Reaction": null,
"Calcination time(h)": null,
"In": null,
"SNUMAT_id": null,
"spg": null,
"WeigthMetalLoading": null,
"auid": null,
"Photocatalyst(s)": null,
"MOF_Type": null,
"Phase": null,
"material_type": null,
"Symbol": null,
"固溶时间t (h)": null,
"CO yield(%)": null,
"Reaction solution": null,
"Dopant": null,
"Catalyst/Pollutant mass ratio": null,
"asphericity_mean_0": null,
"En": null,
"Wave length(<nm)": null,
"Solvent type": null,
"Polymer Mwt, kDa": null,
"Dopant/Ti mole ratio": null,
"Illumination time(min)": null,
"Light Type": null,
"Zeo2": null,
"Y": null,
"J.uAcm2_0.80_fromCV": null,
"FD1": null,
"MR1": null,
"MR2": null,
"CO2y": null,
"Au": null,
"Temp (oC)": null,
"CO2 yield (%)": null,
"Structure": null,
"Material Family": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Substrates": null,
"EnergyAboveHull": null,
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"Cited_Time": null,
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"ref": null,
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"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
"10": null,
"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
"55": null,
"SSA (m2 g -1 )": null,
"MetalPart": null,
"b3lyp_scharber_pce": null,
"HSE_mix_energy": null,
"spg_symbol": null,
"spillage": null,
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"id": null,
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"dos_ef": null,
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"band_gap_ind": null,
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"_oqmd_stability": null,
"COx": null,
"PAr (atm)": null,
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"X": null,
"M4": null,
"name": null,
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"M": null,
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"RH2(µmol h-1 g-1)": null,
"date": null,
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"OC": null,
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"dfpt_piezo_max_dielectric_ionic": null,
"enthalpy_formation_0K": null,
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"furnace length(mm)": null,
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"c": null,
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"Ru": null,
"bulk_modulus_kv": null,
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"R2": null,
"material_type": null,
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"mu": null,
"mT": null,
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"shear_modulus_gv": null,
"report-no": null,
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"source_folder": null,
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"Ni": null,
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"similarity": null,
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"Y": null,
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"IF": null,
"U": null,
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"zpve": null,
"Ref_ind": "2.26",
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"pld": null,
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"B_O": null,
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"slme": null,
"surf_en": null,
"An": null,
"icsd_ids": null,
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"location": null,
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"wavelength": null,
"label": null,
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"concentration": null,
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"categories": null,
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"AA": null,
"Cation3": null,
"Cation3-mol": null,
"vol": null,
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"Mg": null,
"Power(W)": null,
"Light intensity(W)": null,
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"nelements": null,
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"unit": null,
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"-V vs. RHE V": null,
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"K": null,
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"value": null,
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"sgNumber": null,
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"topology": null,
"cycle2": null,
"Dope": null,
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"chemical_family": null,
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"Additional": null,
"search": null,
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"Si": null,
"C2s": null,
"OH": null,
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"year": null,
"U0": null
} | complex | In a tabular data structure, locate the cells that meet the requirements. | Given PBE and HSE bandgaps of {} eV and {} eV, what is the refractive index (Ref_ind) of the material? |
Which perovskite material has a value of LaNiO3 in feature 10? | table14 | [
"Perovskite",
"10"
] | [
"Perovskite"
] | [
"10"
] | {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"PM": null,
"CT (℃)": null,
"SBET(m2/g)": null,
"ReactionType": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"jid": null,
"magmom_oszicar": null,
"M3": null,
"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"osda smiles": null,
"search": null,
"formula": null,
"Material Composition": null,
"goldschmidt_TF_ionic": null,
"octahedral_factor": null,
"shear modulus": null,
"elastic anisotropy": null,
"prototype_id": null,
"elements": null,
"Materials": null,
"M1": null,
"CH4 conversion (%)": null,
"location": null,
"id": null,
"Full Name of Perovskite": null,
"MetalRatio": null,
"Eg(eV)": null,
"_oqmd_delta_e": null,
"CH4-pressure": null,
"spg_number": null,
"Support": null,
"M2": null,
"C2 yield (%)": null,
"Base": null,
"Composition": null,
"Surface Area(m2/g)": null,
"O2 Conv. (%)": null,
"M3 (wt%)": null,
"inchi": null,
"co2_absp": null,
"surface_area_m2g": null,
"co2_pressures": null,
"spacegroup_symbol": null,
"indir_gap": null,
"source_folder": null,
"OC": null,
"C0, mg/L": null,
"compound": null,
"chemical_family": null,
"DOI": null,
"Catalyst": null,
"natoms": null,
"stress": null,
"Ra": null,
"Rb": null,
"χpa": null,
"emu/cm^3": null,
"Molecular formula": null,
"file": null,
"Exp": null,
"E_AtomN": null,
"Indirect_Band": null,
"Volume": null,
"Lattice": null,
"D": null,
"spg_symbol": null,
"PBE_latt_const": null,
"HSE_latt_const": null,
"Ra/Rb": null,
"poisson": null,
"pH": null,
"T, oC": null,
"spacegroup": null,
"MetalPart": null,
"paper_number": null,
"Ln_ion": null,
"CIF_file_name": null,
"title": null,
"Ca ion, mM": null,
"CO3 ion, mM": null,
"Stirring, rpm": null,
"species": null,
"name": null,
"I1a": null,
"A_Tm": null,
"energy_per_atom": null,
"f_enp": null,
"Co": null,
"Ni": null,
"时效温度T (℃)": null,
"时效时间t (h)": null,
"b": null,
"a": null,
"surfaces": null,
"AA": null,
"A_AtimicN": null,
"Code": null,
"EAa": null,
"ρb": null,
"Anion1": null,
"Cation2": null,
"Temperature": null,
"_oqmd_band_gap": null,
"_oqmd_stability": null,
"authors": null,
"categories": null,
"hse_gap": null,
"mu": null,
"Temp. (℃)": null,
"ab": null,
"ab_key": null,
"reaction_energy": null,
"material_id": null,
"exfoliation_energy_per_atom": null,
"A site": null,
"B2 site": null,
"Duration of cycles (h)": null,
"pretty_formula": null,
"SMILES": null,
"SMILES_relaxed": null,
"scf_vbm": null,
"e_above_hull": null,
"t": null,
"χpb": null,
"HOMO": null,
"LUMO": null,
"Atomic Radius (Å)": null,
"egap": null,
"optb88vdw_bandgap": null,
"diel_ion": null,
"src": null,
"A mole": null,
"RH2(µmol h-1 g-1)": null,
"M": null,
"Pch4": null,
"Po2": null,
"Facility": null,
"Journal_Name": null,
"Acid_OVP": null,
"formula_energy": null,
"bulk_formula": null,
"chem_pot": null,
"Formation_energy": null,
"A_O": null,
"max_ir_mode": null,
"ff_vac": null,
"Space_group_rlx": null,
"Magnetic_ordering": null,
"C missing(%)": null,
"Resource": null,
"Total flow (mL/min)": null,
"B site": null,
"cycle3": null,
"mu_b": null,
"authors_parsed": null,
"oxide_type": null,
"icsd_ids": null,
"Perovskite": "LaNiO3",
"bulk modulus": null,
"Pt": null,
"Rh": null,
"Onset": null,
"optb88vdw_vbm": null,
"similarity": null,
"func": null,
"source_id": null,
"SSA (m2 g -1 )": null,
"EAb": null,
"ef": null,
"Surface area (m2/g)": null,
"Illumination time (min)": null,
"Catalyst label": null,
"surf_vbm": null,
"final_energy": null,
"M4": null,
"CO yield (%)": null,
"alpha": null,
"mat_id": null,
"A/m": null,
"submitter": null,
"CO2 yield(%)": null,
"Dope": null,
"D, g/L": null,
"homo": null,
"crystal_system": null,
"efermi": null,
"pbe0_gap": null,
"unit_cell_formula": null,
"nsites": null,
"Tol": null,
"HSE_decomp_energy": null,
"diel_tot": null,
"wycoff": null,
"bulk_modulus_kv": null,
"label": null,
"Material": null,
"Degradation efficiency (%)": null,
"Contact-times": null,
"m06_gap": null,
"density": null,
"Molecular formulas": null,
"AH (h)": null,
"DT (℃)": null,
"spacegroup_number": null,
"scf_cbm": null,
"journal-ref": null,
"Mg": null,
"J.uAcm2_0.63_initialCA": null,
"A site #1": null,
"A site #3": null,
"formation_energy (eV/atom)": null,
"total": null,
"goldschmidt_TF": null,
"surfaces_key": null,
"_oqmd_entry_id": null,
"Dn": null,
"γ＇相尺寸 (nm)": null,
"Ca": null,
"La": null,
"Cation4-mol": null,
"A_Tb": null,
"atoms": null,
"M1_atom_number": null,
"Support_ID": null,
"CO2s": null,
"gap pbe": null,
"net_magmom": null,
"source": null,
"bandgap": null,
"I, mW/cm2": null,
"-log(k), min-1": null,
"Degradation rate(%)": null,
"Pollutant": null,
"Calcination temperature(°C)": null,
"Ti": null,
"固溶温度T (℃)": null,
"hubbards": null,
"update_date": null,
"CH4/O2 (mol/mol)": null,
"PAr (atm)": null,
"Tc": null,
"offset": null,
"shear_modulus_gv": null,
"HF": null,
"atom_en": null,
"HCO3 ion, mM": null,
"Solvent, % vol.": null,
"Country": null,
"min_co2_adsp": null,
"lcd": null,
"total_magnetization": null,
"lumo": null,
"kA/m": null,
"zpve": null,
"H": null,
"e_form": null,
"cycle5": null,
"Nanostructuring": null,
"Polymer type": null,
"Surfactant type": null,
"Temperature, C": null,
"doi": null,
"Al": null,
"OH": null,
"B_Tb": null,
"bp86_homo": null,
"bp86_lumo": null,
"bp86_gap": null,
"bp86_scharber_pce": null,
"max_co2_adsp": null,
"G": null,
"Cv": null,
"surface_area_m2cm3": null,
"A2 site": null,
"cycle2": null,
"Co catalyst": null,
"Functionalization": null,
"Surfactant, % wt.": null,
"Synthesis time": null,
"void_fraction": null,
"optb88vdw_cbm": null,
"Eps_elec": null,
"Extracted Value": null,
"Extracted Units": null,
"initial_atoms": null,
"Formation_E": null,
"B": null,
"C_AtomN": null,
"bp86_scharber_jsc": null,
"R2": null,
"formation_energy_per_atom": null,
"Bsite_NsUnfilled_range": null,
"pld": null,
"CH4-conversion%": null,
"pbe0_scharber_voc": null,
"SDA": null,
"Ge": null,
"Si": null,
"C2H6 yield(%)": null,
"H2O(g)": null,
"pub_year": null,
"BandGap(eV)": null,
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"diel_elec": null,
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"Fe": null,
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"Ref": null,
"defective_energy": null,
"U0": null,
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"sentence": null,
"C2y": null,
"ITQ": null,
"H2O": null,
"Cation1": null,
"Anion2": null,
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"gyration_radius_mean_0": null,
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"A1": null,
"bader_net_charges": null,
"B_Tm": null,
"ρa": null,
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"In": null,
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"spg": null,
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"auid": null,
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"MOF_Type": null,
"Phase": null,
"material_type": null,
"Symbol": null,
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"Y": null,
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"composition": null,
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"light source": null,
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"Mn": null,
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"emu/g": null,
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"Band_gap_HSE_optical": null,
"pbe0_lumo": null,
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"Synthesis_Time": null,
"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
"10": "-0.03765",
"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
"55": null,
"SSA (m2 g -1 )": null,
"MetalPart": null,
"b3lyp_scharber_pce": null,
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"spg_symbol": null,
"spillage": null,
"C2H4 yield (%)": null,
"formal_charge": null,
"formula": null,
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"id": null,
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"dos_ef": null,
"χpb": null,
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"band_gap_ind": null,
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"cycle3": null,
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"_oqmd_stability": null,
"COx": null,
"PAr (atm)": null,
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"X": null,
"M4": null,
"name": null,
"mu_b": null,
"natoms": null,
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"axial_distortion": null,
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"M": null,
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"t": null,
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"RH2(µmol h-1 g-1)": null,
"date": null,
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"Tol": null,
"OC": null,
"energy": null,
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"DOI": null,
"Ln_Kramers": null,
"doi": null,
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"gap": null,
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"species": null,
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"ΔfusHa": null,
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"Ra": null,
"final_energy": null,
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"a_key": null,
"r2": null,
"CH4/O2 (mol/mol)": null,
"C2y": null,
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"G": null,
"Par": null,
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"decomposition": null,
"Eg(eV)": null,
"sub_family": null,
"Rb": null,
"SMILES_relaxed": null,
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"volume_std_0": null,
"offset": null,
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"B": null,
"ρb": null,
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"jid": null,
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"spg_number": null,
"atoms": null,
"A_B": null,
"dfpt_piezo_max_dielectric_ionic": null,
"enthalpy_formation_0K": null,
"symbol": null,
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"furnace length(mm)": null,
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"c": null,
"total_magnetization": null,
"e_hull": null,
"Ru": null,
"bulk_modulus_kv": null,
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"material_id": null,
"WeigthMetalLoading": null,
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"R2": null,
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"Alloying": null,
"optb88vdw_vbm": null,
"e_phase_separation": null,
"CO yield (%)": null,
"mu": null,
"mT": null,
"CH3Ead": null,
"shear_modulus_gv": null,
"report-no": null,
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"source_folder": null,
"title": null,
"cellpressure": null,
"pbe0_description": null,
"initial_atoms": null,
"bader_atomic_volumes": null,
"e_above_hull": null,
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"method": null,
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"Robs": null,
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"pH": null,
"Ra/Rb": null,
"e_form": null,
"CH4-pressure": null,
"phon_dat": null,
"m06_scharber_voc": null,
"elasticity": null,
"src": null,
"Material": null,
"Ref.": null,
"indir_gap": null,
"lumo": null,
"mbj_bandgap": null,
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"license": null,
"Ni": null,
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"similarity": null,
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"activation_energy": null,
"Country": null,
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"elements": null,
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"_oqmd_band_gap": null,
"abstract": null,
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"时效温度T (℃)": null,
"comments": null,
"cycle5": null,
"_oqmd_delta_e": null,
"surf_cbm": null,
"chem_pot": null,
"Y": null,
"Cation4": null,
"I1b": null,
"mat_id": null,
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"scf_cbm": null,
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"source_id": null,
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"authors": null,
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"versions": null,
"nat": null,
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"Time": null,
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"ef": null,
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"PM": null,
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"full_formula": null,
"AH (h)": null,
"IF": null,
"U": null,
"surface_area_m2cm3": null,
"Eps_elec": null,
"bertz_ct_mean_0": null,
"composition": null,
"diel": null,
"CT (℃)": null,
"A2 site": null,
"C.E. %": null,
"Synthesis time": null,
"bp86_scharber_pce": null,
"optb88vdw_cbm": null,
"bp86_homo": null,
"lcd": null,
"X site": null,
"zpve": null,
"Ref_ind": null,
"Total flow (mL/min)": null,
"pld": null,
"Duration of cycles (h)": null,
"update_date": null,
"Year": null,
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"Polymer type": null,
"B_O": null,
"PBE_gap": null,
"Normalised Value": null,
"slme": null,
"surf_en": null,
"An": null,
"icsd_ids": null,
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"location": null,
"source": null,
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"FD1": null,
"Am": null,
"wavelength": null,
"label": null,
"CH4/O2 ratio": null,
"concentration": null,
"Base": null,
"categories": null,
"bp86_lumo": null,
"Antibiotic dosage (mg/L)": null,
"AA": null,
"Cation3": null,
"Cation3-mol": null,
"vol": null,
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"Mg": null,
"Power(W)": null,
"Light intensity(W)": null,
"µ_B/f.u.": null,
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"Dense2": null,
"Temperature": null,
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"total_mag": null,
"kv": null,
"loading (g/l)": null,
"bandgap": null,
"osda smiles": null,
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"energy_atom": null,
"EAa": null,
"Catalyst": null,
"Doping": null,
"Type": null,
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"homo": null,
"Illumination time(min)": null,
"ref": null,
"cycle4": null,
"coordination_number": null,
"sigvol": null,
"omega1": null,
"aurl": null,
"H": null,
"B2 site": null,
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"total": null,
"final_atoms": null,
"exfoliation_energy_per_atom": null,
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"Co": null,
"diffrtemp": null,
"-log(k), min-1": null,
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"func": null,
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"void_fraction": null,
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"a": null,
"bulk_energy": null,
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"Al": null,
"Po2": null,
"egap_fit": null,
"La": null,
"Warning_OER.1": null,
"HOMO": null,
"Pt": null,
"overpotential V": null,
"nelements": null,
"energy_above_hull (meV/atom)": null,
"C2 selectivity (%)": null,
"ZPVE": null,
"Journal_Name": null,
"Facility": null,
"Judge_Hydrothermal": null,
"stress": null,
"BandGap(eV)": null,
"EAb": null,
"Pch4": null,
"unit": null,
"slope_CSM": null,
"surf_dat": null,
"prototype_id": null,
"-V vs. RHE V": null,
"Au": null,
"K": null,
"unit_cell_formula": null,
"ff_vac": null,
"b3lyp_scharber_jsc": null,
"spg": null,
"Surfactant type": null,
"A m^2/kg": null,
"energy_corrected": null,
"I, mW/cm2": null,
"Ca ion, mM": null,
"Nanostructuring": null,
"spacegroup": null,
"Substrates": null,
"J.uAcm2_0.63_initialCA": null,
"Surface Strain": null,
"hse_gap": null,
"Ca": null,
"X1": null,
"pretty_formula": null,
"MR1": null,
"C_AtomN": null,
"A site #3": null,
"goldschmidt_TF": null,
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"value": null,
"co2_pressures": null,
"wycoff": null,
"C0, mg/L": null,
"ab": null,
"HCO3 ion, mM": null,
"Surfactant, % wt.": null,
"Direct_Band": null,
"Yield (μmol/g/h)": null,
"Solvent type": null,
"num_bonds_mean_0": null,
"atom_en": null,
"at. wt.": null,
"spacegroup_symbol": null,
"CIF_type": null,
"PBE_latt_const": null,
"surface_area_m2g": null,
"vac_dat": null,
"sgNumber": null,
"Anion2-mol": null,
"topology": null,
"cycle2": null,
"Dope": null,
"Space_group_rlx": null,
"chemical_family": null,
"journal-ref": null,
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"Band_gap_HSE_optical": null,
"Ionic Radius (angstroms)": null,
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"Resource": null,
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"Additional": null,
"search": null,
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"Si": null,
"C2s": null,
"OH": null,
"CH4 conversion (%)": null,
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"HSE_decomp_energy": null,
"A site #2": null,
"year": null,
"U0": null
} | simple | In a tabular data structure, locate the cells that meet the requirements. | Which perovskite material has a value of {} in feature 10? |
What is the total energy per atom for the material with source ID mp-571279 and a bandgap of 0.8628000000000002? | table67 | [
"source_id",
"bandgap",
"energy_per_atom"
] | [
"source_id",
"bandgap"
] | [
"energy_per_atom"
] | {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"PM": null,
"CT (℃)": null,
"SBET(m2/g)": null,
"ReactionType": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"jid": null,
"magmom_oszicar": null,
"M3": null,
"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"osda smiles": null,
"search": null,
"formula": null,
"Material Composition": null,
"goldschmidt_TF_ionic": null,
"octahedral_factor": null,
"shear modulus": null,
"elastic anisotropy": null,
"prototype_id": null,
"elements": null,
"Materials": null,
"M1": null,
"CH4 conversion (%)": null,
"location": null,
"id": null,
"Full Name of Perovskite": null,
"MetalRatio": null,
"Eg(eV)": null,
"_oqmd_delta_e": null,
"CH4-pressure": null,
"spg_number": null,
"Support": null,
"M2": null,
"C2 yield (%)": null,
"Base": null,
"Composition": null,
"Surface Area(m2/g)": null,
"O2 Conv. (%)": null,
"M3 (wt%)": null,
"inchi": null,
"co2_absp": null,
"surface_area_m2g": null,
"co2_pressures": null,
"spacegroup_symbol": null,
"indir_gap": null,
"source_folder": null,
"OC": null,
"C0, mg/L": null,
"compound": null,
"chemical_family": null,
"DOI": null,
"Catalyst": null,
"natoms": null,
"stress": null,
"Ra": null,
"Rb": null,
"χpa": null,
"emu/cm^3": null,
"Molecular formula": null,
"file": null,
"Exp": null,
"E_AtomN": null,
"Indirect_Band": null,
"Volume": null,
"Lattice": null,
"D": null,
"spg_symbol": null,
"PBE_latt_const": null,
"HSE_latt_const": null,
"Ra/Rb": null,
"poisson": null,
"pH": null,
"T, oC": null,
"spacegroup": null,
"MetalPart": null,
"paper_number": null,
"Ln_ion": null,
"CIF_file_name": null,
"title": null,
"Ca ion, mM": null,
"CO3 ion, mM": null,
"Stirring, rpm": null,
"species": null,
"name": null,
"I1a": null,
"A_Tm": null,
"energy_per_atom": null,
"f_enp": null,
"Co": null,
"Ni": null,
"时效温度T (℃)": null,
"时效时间t (h)": null,
"b": null,
"a": null,
"surfaces": null,
"AA": null,
"A_AtimicN": null,
"Code": null,
"EAa": null,
"ρb": null,
"Anion1": null,
"Cation2": null,
"Temperature": null,
"_oqmd_band_gap": null,
"_oqmd_stability": null,
"authors": null,
"categories": null,
"hse_gap": null,
"mu": null,
"Temp. (℃)": null,
"ab": null,
"ab_key": null,
"reaction_energy": null,
"material_id": null,
"exfoliation_energy_per_atom": null,
"A site": null,
"B2 site": null,
"Duration of cycles (h)": null,
"pretty_formula": null,
"SMILES": null,
"SMILES_relaxed": null,
"scf_vbm": null,
"e_above_hull": null,
"t": null,
"χpb": null,
"HOMO": null,
"LUMO": null,
"Atomic Radius (Å)": null,
"egap": null,
"optb88vdw_bandgap": null,
"diel_ion": null,
"src": null,
"A mole": null,
"RH2(µmol h-1 g-1)": null,
"M": null,
"Pch4": null,
"Po2": null,
"Facility": null,
"Journal_Name": null,
"Acid_OVP": null,
"formula_energy": null,
"bulk_formula": null,
"chem_pot": null,
"Formation_energy": null,
"A_O": null,
"max_ir_mode": null,
"ff_vac": null,
"Space_group_rlx": null,
"Magnetic_ordering": null,
"C missing(%)": null,
"Resource": null,
"Total flow (mL/min)": null,
"B site": null,
"cycle3": null,
"mu_b": null,
"authors_parsed": null,
"oxide_type": null,
"icsd_ids": null,
"Perovskite": null,
"bulk modulus": null,
"Pt": null,
"Rh": null,
"Onset": null,
"optb88vdw_vbm": null,
"similarity": null,
"func": null,
"source_id": "mp-571279",
"SSA (m2 g -1 )": null,
"EAb": null,
"ef": null,
"Surface area (m2/g)": null,
"Illumination time (min)": null,
"Catalyst label": null,
"surf_vbm": null,
"final_energy": null,
"M4": null,
"CO yield (%)": null,
"alpha": null,
"mat_id": null,
"A/m": null,
"submitter": null,
"CO2 yield(%)": null,
"Dope": null,
"D, g/L": null,
"homo": null,
"crystal_system": null,
"efermi": null,
"pbe0_gap": null,
"unit_cell_formula": null,
"nsites": null,
"Tol": null,
"HSE_decomp_energy": null,
"diel_tot": null,
"wycoff": null,
"bulk_modulus_kv": null,
"label": null,
"Material": null,
"Degradation efficiency (%)": null,
"Contact-times": null,
"m06_gap": null,
"density": null,
"Molecular formulas": null,
"AH (h)": null,
"DT (℃)": null,
"spacegroup_number": null,
"scf_cbm": null,
"journal-ref": null,
"Mg": null,
"J.uAcm2_0.63_initialCA": null,
"A site #1": null,
"A site #3": null,
"formation_energy (eV/atom)": null,
"total": null,
"goldschmidt_TF": null,
"surfaces_key": null,
"_oqmd_entry_id": null,
"Dn": null,
"γ＇相尺寸 (nm)": null,
"Ca": null,
"La": null,
"Cation4-mol": null,
"A_Tb": null,
"atoms": null,
"M1_atom_number": null,
"Support_ID": null,
"CO2s": null,
"gap pbe": null,
"net_magmom": null,
"source": null,
"bandgap": "0.8628000000000002",
"I, mW/cm2": null,
"-log(k), min-1": null,
"Degradation rate(%)": null,
"Pollutant": null,
"Calcination temperature(°C)": null,
"Ti": null,
"固溶温度T (℃)": null,
"hubbards": null,
"update_date": null,
"CH4/O2 (mol/mol)": null,
"PAr (atm)": null,
"Tc": null,
"offset": null,
"shear_modulus_gv": null,
"HF": null,
"atom_en": null,
"HCO3 ion, mM": null,
"Solvent, % vol.": null,
"Country": null,
"min_co2_adsp": null,
"lcd": null,
"total_magnetization": null,
"lumo": null,
"kA/m": null,
"zpve": null,
"H": null,
"e_form": null,
"cycle5": null,
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"Polymer type": null,
"Surfactant type": null,
"Temperature, C": null,
"doi": null,
"Al": null,
"OH": null,
"B_Tb": null,
"bp86_homo": null,
"bp86_lumo": null,
"bp86_gap": null,
"bp86_scharber_pce": null,
"max_co2_adsp": null,
"G": null,
"Cv": null,
"surface_area_m2cm3": null,
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"cycle2": null,
"Co catalyst": null,
"Functionalization": null,
"Surfactant, % wt.": null,
"Synthesis time": null,
"void_fraction": null,
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"Eps_elec": null,
"Extracted Value": null,
"Extracted Units": null,
"initial_atoms": null,
"Formation_E": null,
"B": null,
"C_AtomN": null,
"bp86_scharber_jsc": null,
"R2": null,
"formation_energy_per_atom": null,
"Bsite_NsUnfilled_range": null,
"pld": null,
"CH4-conversion%": null,
"pbe0_scharber_voc": null,
"SDA": null,
"Ge": null,
"Si": null,
"C2H6 yield(%)": null,
"H2O(g)": null,
"pub_year": null,
"BandGap(eV)": null,
"Pore Volume (cm3/g)": null,
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"C2H4 yield(%)": null,
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"diel_elec": null,
"ICSD_number": null,
"Fe": null,
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"Ref": null,
"defective_energy": null,
"U0": null,
"Preparation method": null,
"Calcination temperature(K)": null,
"PBE_gap": null,
"HSE_gap": null,
"sentence": null,
"C2y": null,
"ITQ": null,
"H2O": null,
"Cation1": null,
"Anion2": null,
"C2selec": null,
"band_gap_dir": null,
"SBET (m2 /g)": null,
"bulk_energy": null,
"gyration_radius_mean_0": null,
"A": null,
"A1": null,
"bader_net_charges": null,
"B_Tm": null,
"ρa": null,
"Reaction": null,
"Calcination time(h)": null,
"In": null,
"SNUMAT_id": null,
"spg": null,
"WeigthMetalLoading": null,
"auid": null,
"Photocatalyst(s)": null,
"MOF_Type": null,
"Phase": null,
"material_type": null,
"Symbol": null,
"固溶时间t (h)": null,
"CO yield(%)": null,
"Reaction solution": null,
"Dopant": null,
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"asphericity_mean_0": null,
"En": null,
"Wave length(<nm)": null,
"Solvent type": null,
"Polymer Mwt, kDa": null,
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"Illumination time(min)": null,
"Light Type": null,
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"Y": null,
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"FD1": null,
"MR1": null,
"MR2": null,
"CO2y": null,
"Au": null,
"Temp (oC)": null,
"CO2 yield (%)": null,
"Structure": null,
"Material Family": null,
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"Substrates": null,
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"Cited_Time": null,
"gv": null,
"I1b": null,
"X site": null,
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"avg_max": null,
"value": null,
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"mT": null,
"surf_cbm": null,
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"enthalpy_formation_298K": null,
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"Par": null,
"Type": null,
"composition": null,
"C2 selectivity (%)": null,
"Year": null,
"C.E. %": null,
"A site #2": null,
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"volume": null,
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"FD2": null,
"symbol": null,
"Dense1": null,
"Bn": null,
"Number of elements": null,
"m06_homo": null,
"m06_lumo": null,
"b_key": null,
"B_O": null,
"formation_energy_peratom": null,
"A_AtomN": null,
"Cn": null,
"Bi type in photocatalyst": null,
"light source": null,
"Reaction medium": null,
"Mn": null,
"exfoliation_energy": null,
"BCCmagmom": null,
"emu/g": null,
"O2-pressure": null,
"gga_gap": null,
"report-no": null,
"m06_scharber_voc": null,
"gap": null,
"Multiphase": null,
"Electric field": null,
"C2 yield(%)": null,
"CSM": null,
"axial_distortion": null,
"O2 Conv(%)": null,
"Band_gap_GGA_optical": null,
"Band_gap_HSE_optical": null,
"pbe0_lumo": null,
"C2-yield-class": null,
"Synthesis_Time": null,
"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
"10": null,
"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
"55": null,
"SSA (m2 g -1 )": null,
"MetalPart": null,
"b3lyp_scharber_pce": null,
"HSE_mix_energy": null,
"spg_symbol": null,
"spillage": null,
"C2H4 yield (%)": null,
"formal_charge": null,
"formula": null,
"optb88vdw_bandgap": null,
"Formation_energy": null,
"id": null,
"formation_energy (eV/atom)": null,
"dos_ef": null,
"χpb": null,
"M3": null,
"band_gap_ind": null,
"PBE_mix_energy": null,
"cycle3": null,
"ReactionType": null,
"Calcination temperature(K)": null,
"_oqmd_stability": null,
"COx": null,
"PAr (atm)": null,
"surf_vbm": null,
"ReactionE": null,
"X": null,
"M4": null,
"name": null,
"mu_b": null,
"natoms": null,
"Ref": null,
"axial_distortion": null,
"Cited_Time": null,
"Reaction": null,
"max_co2_adsp": null,
"Cv": null,
"M": null,
"f_enp": null,
"t": null,
"°C": null,
"RH2(µmol h-1 g-1)": null,
"date": null,
"CatW(g/L)": null,
"NH2": null,
"En": null,
"E_AtomN": null,
"elastic_tensor": null,
"B site #1": null,
"Tol": null,
"OC": null,
"energy": null,
"Support": null,
"_oqmd_entry_id": null,
"DOI": null,
"Ln_Kramers": null,
"doi": null,
"Solvent, % vol.": null,
"gap": null,
"enthalpy_formation_298K": null,
"energy_per_atom": "-6.031051546666667",
"elastic anisotropy": null,
"species": null,
"volume": null,
"B_Tb": null,
"ρa": null,
"crystal_system": null,
"γ＇相尺寸 (nm)": null,
"reaction_energy": null,
"M2": null,
"ΔfusHa": null,
"efermi": null,
"Ra": null,
"final_energy": null,
"Mainproduct": null,
"C2-selectivity": null,
"a_key": null,
"r2": null,
"CH4/O2 (mol/mol)": null,
"C2y": null,
"surfaces_key": null,
"formula_energy": null,
"Tc": null,
"CSM": null,
"cycle1": null,
"band_gap": null,
"alpha": null,
"G": null,
"Par": null,
"avg_max": null,
"decomposition": null,
"Eg(eV)": null,
"sub_family": null,
"Rb": null,
"SMILES_relaxed": null,
"Modulus of Elasticity 10³ Mpa": null,
"enthalpy_atom": null,
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"volume_std_0": null,
"offset": null,
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"B": null,
"ρb": null,
"Acid_OVP": null,
"jid": null,
"Bsite_NdValence_range": null,
"spg_number": null,
"atoms": null,
"A_B": null,
"dfpt_piezo_max_dielectric_ionic": null,
"enthalpy_formation_0K": null,
"symbol": null,
"Band_gap_GGA_optical": null,
"furnace length(mm)": null,
"gap pbe": null,
"c": null,
"total_magnetization": null,
"e_hull": null,
"Ru": null,
"bulk_modulus_kv": null,
"Degradation rate(%)": null,
"material_id": null,
"WeigthMetalLoading": null,
"DT (℃)": null,
"R2": null,
"material_type": null,
"Pore Volume (cm3/g)": null,
"Material Family": null,
"scf_vbm": null,
"Alloying": null,
"optb88vdw_vbm": null,
"e_phase_separation": null,
"CO yield (%)": null,
"mu": null,
"mT": null,
"CH3Ead": null,
"shear_modulus_gv": null,
"report-no": null,
"CH4Ead": null,
"source_folder": null,
"title": null,
"cellpressure": null,
"pbe0_description": null,
"initial_atoms": null,
"bader_atomic_volumes": null,
"e_above_hull": null,
"HSE_gap": null,
"Log_fom": null,
"PBE_decomp_energy": null,
"method": null,
"defective_energy": null,
"shear modulus": null,
"magmom_oszicar": null,
"Robs": null,
"closest_polyhedron": null,
"m06_homo": null,
"pH": null,
"Ra/Rb": null,
"e_form": null,
"CH4-pressure": null,
"phon_dat": null,
"m06_scharber_voc": null,
"elasticity": null,
"src": null,
"Material": null,
"Ref.": null,
"indir_gap": null,
"lumo": null,
"mbj_bandgap": null,
"authors_parsed": null,
"license": null,
"Ni": null,
"B site #2": null,
"similarity": null,
"Reactor_Volume": null,
"activation_energy": null,
"Country": null,
"Illumination time (min)": null,
"goldschmidt_TF_ionic": null,
"elements": null,
"M1": null,
"_oqmd_band_gap": null,
"abstract": null,
"Lattice": null,
"时效温度T (℃)": null,
"comments": null,
"cycle5": null,
"_oqmd_delta_e": null,
"surf_cbm": null,
"chem_pot": null,
"Y": null,
"Cation4": null,
"I1b": null,
"mat_id": null,
"bulk modulus": null,
"scf_cbm": null,
"Product": null,
"source_id": null,
"min_co2_adsp": null,
"Catalyst/Pollutant mass ratio": null,
"时效时间t (h)": null,
"Degradation efficiency (%)": null,
"SBET(m2/g)": null,
"mol_weight": null,
"authors": null,
"nsites": null,
"versions": null,
"nat": null,
"C2 yield (%)": null,
"Time": null,
"Photocatalyst dose(g L-1)": null,
"ef": null,
"diel_tot": null,
"PM": null,
"Stirring, rpm": null,
"full_formula": null,
"AH (h)": null,
"IF": null,
"U": null,
"surface_area_m2cm3": null,
"Eps_elec": null,
"bertz_ct_mean_0": null,
"composition": null,
"diel": null,
"CT (℃)": null,
"A2 site": null,
"C.E. %": null,
"Synthesis time": null,
"bp86_scharber_pce": null,
"optb88vdw_cbm": null,
"bp86_homo": null,
"lcd": null,
"X site": null,
"zpve": null,
"Ref_ind": null,
"Total flow (mL/min)": null,
"pld": null,
"Duration of cycles (h)": null,
"update_date": null,
"Year": null,
"B site #3": null,
"Polymer type": null,
"B_O": null,
"PBE_gap": null,
"Normalised Value": null,
"slme": null,
"surf_en": null,
"An": null,
"icsd_ids": null,
"EnergyAboveHull": null,
"location": null,
"source": null,
"O2-pressure": null,
"Indexed_Date": null,
"pbe0_gap": null,
"FD1": null,
"Am": null,
"wavelength": null,
"label": null,
"CH4/O2 ratio": null,
"concentration": null,
"Base": null,
"categories": null,
"bp86_lumo": null,
"Antibiotic dosage (mg/L)": null,
"AA": null,
"Cation3": null,
"Cation3-mol": null,
"vol": null,
"Magnetic_ordering": null,
"Number of elements": null,
"Mg": null,
"Power(W)": null,
"Light intensity(W)": null,
"µ_B/f.u.": null,
"A_Tm": null,
"Perovskite": null,
"Dense2": null,
"Temperature": null,
"Am^2/kg": null,
"total_mag": null,
"kv": null,
"loading (g/l)": null,
"bandgap": null,
"osda smiles": null,
"Surface Area(m2/g)": null,
"bulk_formula": null,
"B_Tm": null,
"energy_atom": null,
"EAa": null,
"Catalyst": null,
"Doping": null,
"Type": null,
"Band_gap_HSE": null,
"spacegroup_number": null,
"J.uAcm2_0.63_secondCA": null,
"Direct_or_indirect_HSE": null,
"homo": null,
"Illumination time(min)": null,
"ref": null,
"cycle4": null,
"coordination_number": null,
"sigvol": null,
"omega1": null,
"aurl": null,
"H": null,
"B2 site": null,
"formation_energy_peratom": null,
"total": null,
"final_atoms": null,
"exfoliation_energy_per_atom": null,
"MP (K)": null,
"Co": null,
"diffrtemp": null,
"-log(k), min-1": null,
"formation_energy_per_atom": null,
"T, oC": null,
"CO3 ion, mM": null,
"poisson": null,
"Preparation method": null,
"Volume": null,
"inertial_shape_factor_std_0": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Light Type": null,
"func": null,
"Temperature, C": null,
"octahedral_factor_ionic": null,
"void_fraction": null,
"ProdRate(μmol/g)": null,
"a": null,
"bulk_energy": null,
"D, g/L": null,
"Al": null,
"Po2": null,
"egap_fit": null,
"La": null,
"Warning_OER.1": null,
"HOMO": null,
"Pt": null,
"overpotential V": null,
"nelements": null,
"energy_above_hull (meV/atom)": null,
"C2 selectivity (%)": null,
"ZPVE": null,
"Journal_Name": null,
"Facility": null,
"Judge_Hydrothermal": null,
"stress": null,
"BandGap(eV)": null,
"EAb": null,
"Pch4": null,
"unit": null,
"slope_CSM": null,
"surf_dat": null,
"prototype_id": null,
"-V vs. RHE V": null,
"Au": null,
"K": null,
"unit_cell_formula": null,
"ff_vac": null,
"b3lyp_scharber_jsc": null,
"spg": null,
"Surfactant type": null,
"A m^2/kg": null,
"energy_corrected": null,
"I, mW/cm2": null,
"Ca ion, mM": null,
"Nanostructuring": null,
"spacegroup": null,
"Substrates": null,
"J.uAcm2_0.63_initialCA": null,
"Surface Strain": null,
"hse_gap": null,
"Ca": null,
"X1": null,
"pretty_formula": null,
"MR1": null,
"C_AtomN": null,
"A site #3": null,
"goldschmidt_TF": null,
"Direct_or_indirect": null,
"value": null,
"co2_pressures": null,
"wycoff": null,
"C0, mg/L": null,
"ab": null,
"HCO3 ion, mM": null,
"Surfactant, % wt.": null,
"Direct_Band": null,
"Yield (μmol/g/h)": null,
"Solvent type": null,
"num_bonds_mean_0": null,
"atom_en": null,
"at. wt.": null,
"spacegroup_symbol": null,
"CIF_type": null,
"PBE_latt_const": null,
"surface_area_m2g": null,
"vac_dat": null,
"sgNumber": null,
"Anion2-mol": null,
"topology": null,
"cycle2": null,
"Dope": null,
"Space_group_rlx": null,
"chemical_family": null,
"journal-ref": null,
"A_Tb": null,
"net_magmom": null,
"Band_gap_HSE_optical": null,
"Ionic Radius (angstroms)": null,
"pbe0_homo": null,
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"band_gap_dir": null,
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"axes_mean_0": null,
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"Resource": null,
"Support1-mol": null,
"Additional": null,
"search": null,
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"Si": null,
"C2s": null,
"OH": null,
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"co2_absp": null,
"CIF_file_name": null,
"HSE_decomp_energy": null,
"A site #2": null,
"year": null,
"U0": null
} | complex | In a tabular data structure, locate the cells that meet the requirements. | What is the total energy per atom for the material with source ID {} and a bandgap of {}? |
Identify the carbon deficit percentage for resource type 2,8 at a furnace length of STD mm. | table27 | [
"C missing(%)",
"Resource",
"furnace length(mm)"
] | [
"C missing(%)",
"Resource"
] | [
"furnace length(mm)"
] | {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"PM": null,
"CT (℃)": null,
"SBET(m2/g)": null,
"ReactionType": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"jid": null,
"magmom_oszicar": null,
"M3": null,
"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"osda smiles": null,
"search": null,
"formula": null,
"Material Composition": null,
"goldschmidt_TF_ionic": null,
"octahedral_factor": null,
"shear modulus": null,
"elastic anisotropy": null,
"prototype_id": null,
"elements": null,
"Materials": null,
"M1": null,
"CH4 conversion (%)": null,
"location": null,
"id": null,
"Full Name of Perovskite": null,
"MetalRatio": null,
"Eg(eV)": null,
"_oqmd_delta_e": null,
"CH4-pressure": null,
"spg_number": null,
"Support": null,
"M2": null,
"C2 yield (%)": null,
"Base": null,
"Composition": null,
"Surface Area(m2/g)": null,
"O2 Conv. (%)": null,
"M3 (wt%)": null,
"inchi": null,
"co2_absp": null,
"surface_area_m2g": null,
"co2_pressures": null,
"spacegroup_symbol": null,
"indir_gap": null,
"source_folder": null,
"OC": null,
"C0, mg/L": null,
"compound": null,
"chemical_family": null,
"DOI": null,
"Catalyst": null,
"natoms": null,
"stress": null,
"Ra": null,
"Rb": null,
"χpa": null,
"emu/cm^3": null,
"Molecular formula": null,
"file": null,
"Exp": null,
"E_AtomN": null,
"Indirect_Band": null,
"Volume": null,
"Lattice": null,
"D": null,
"spg_symbol": null,
"PBE_latt_const": null,
"HSE_latt_const": null,
"Ra/Rb": null,
"poisson": null,
"pH": null,
"T, oC": null,
"spacegroup": null,
"MetalPart": null,
"paper_number": null,
"Ln_ion": null,
"CIF_file_name": null,
"title": null,
"Ca ion, mM": null,
"CO3 ion, mM": null,
"Stirring, rpm": null,
"species": null,
"name": null,
"I1a": null,
"A_Tm": null,
"energy_per_atom": null,
"f_enp": null,
"Co": null,
"Ni": null,
"时效温度T (℃)": null,
"时效时间t (h)": null,
"b": null,
"a": null,
"surfaces": null,
"AA": null,
"A_AtimicN": null,
"Code": null,
"EAa": null,
"ρb": null,
"Anion1": null,
"Cation2": null,
"Temperature": null,
"_oqmd_band_gap": null,
"_oqmd_stability": null,
"authors": null,
"categories": null,
"hse_gap": null,
"mu": null,
"Temp. (℃)": null,
"ab": null,
"ab_key": null,
"reaction_energy": null,
"material_id": null,
"exfoliation_energy_per_atom": null,
"A site": null,
"B2 site": null,
"Duration of cycles (h)": null,
"pretty_formula": null,
"SMILES": null,
"SMILES_relaxed": null,
"scf_vbm": null,
"e_above_hull": null,
"t": null,
"χpb": null,
"HOMO": null,
"LUMO": null,
"Atomic Radius (Å)": null,
"egap": null,
"optb88vdw_bandgap": null,
"diel_ion": null,
"src": null,
"A mole": null,
"RH2(µmol h-1 g-1)": null,
"M": null,
"Pch4": null,
"Po2": null,
"Facility": null,
"Journal_Name": null,
"Acid_OVP": null,
"formula_energy": null,
"bulk_formula": null,
"chem_pot": null,
"Formation_energy": null,
"A_O": null,
"max_ir_mode": null,
"ff_vac": null,
"Space_group_rlx": null,
"Magnetic_ordering": null,
"C missing(%)": "2,8",
"Resource": "STD",
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"cycle3": null,
"mu_b": null,
"authors_parsed": null,
"oxide_type": null,
"icsd_ids": null,
"Perovskite": null,
"bulk modulus": null,
"Pt": null,
"Rh": null,
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"similarity": null,
"func": null,
"source_id": null,
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"ef": null,
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"final_energy": null,
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"alpha": null,
"mat_id": null,
"A/m": null,
"submitter": null,
"CO2 yield(%)": null,
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"homo": null,
"crystal_system": null,
"efermi": null,
"pbe0_gap": null,
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"HSE_decomp_energy": null,
"diel_tot": null,
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"label": null,
"Material": null,
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"Contact-times": null,
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"density": null,
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"AH (h)": null,
"DT (℃)": null,
"spacegroup_number": null,
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"Mg": null,
"J.uAcm2_0.63_initialCA": null,
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"A site #3": null,
"formation_energy (eV/atom)": null,
"total": null,
"goldschmidt_TF": null,
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"_oqmd_entry_id": null,
"Dn": null,
"γ＇相尺寸 (nm)": null,
"Ca": null,
"La": null,
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"M1_atom_number": null,
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"gap pbe": null,
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"bandgap": null,
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"-log(k), min-1": null,
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"Pollutant": null,
"Calcination temperature(°C)": null,
"Ti": null,
"固溶温度T (℃)": null,
"hubbards": null,
"update_date": null,
"CH4/O2 (mol/mol)": null,
"PAr (atm)": null,
"Tc": null,
"offset": null,
"shear_modulus_gv": null,
"HF": null,
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"Country": null,
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"lumo": null,
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"zpve": null,
"H": null,
"e_form": null,
"cycle5": null,
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"Temperature, C": null,
"doi": null,
"Al": null,
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"max_co2_adsp": null,
"G": null,
"Cv": null,
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"Surfactant, % wt.": null,
"Synthesis time": null,
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"Extracted Value": null,
"Extracted Units": null,
"initial_atoms": null,
"Formation_E": null,
"B": null,
"C_AtomN": null,
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"R2": null,
"formation_energy_per_atom": null,
"Bsite_NsUnfilled_range": null,
"pld": null,
"CH4-conversion%": null,
"pbe0_scharber_voc": null,
"SDA": null,
"Ge": null,
"Si": null,
"C2H6 yield(%)": null,
"H2O(g)": null,
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"BandGap(eV)": null,
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"diel_elec": null,
"ICSD_number": null,
"Fe": null,
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"Ref": null,
"defective_energy": null,
"U0": null,
"Preparation method": null,
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"HSE_gap": null,
"sentence": null,
"C2y": null,
"ITQ": null,
"H2O": null,
"Cation1": null,
"Anion2": null,
"C2selec": null,
"band_gap_dir": null,
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"bulk_energy": null,
"gyration_radius_mean_0": null,
"A": null,
"A1": null,
"bader_net_charges": null,
"B_Tm": null,
"ρa": null,
"Reaction": null,
"Calcination time(h)": null,
"In": null,
"SNUMAT_id": null,
"spg": null,
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"auid": null,
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"MOF_Type": null,
"Phase": null,
"material_type": null,
"Symbol": null,
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"asphericity_mean_0": null,
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"Illumination time(min)": null,
"Light Type": null,
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"Y": null,
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"MR1": null,
"MR2": null,
"CO2y": null,
"Au": null,
"Temp (oC)": null,
"CO2 yield (%)": null,
"Structure": null,
"Material Family": null,
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"Substrates": null,
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"gv": null,
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"X site": null,
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"mT": null,
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"Par": null,
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"composition": null,
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"Year": null,
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"symbol": null,
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"Bn": null,
"Number of elements": null,
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"b_key": null,
"B_O": null,
"formation_energy_peratom": null,
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"Cn": null,
"Bi type in photocatalyst": null,
"light source": null,
"Reaction medium": null,
"Mn": null,
"exfoliation_energy": null,
"BCCmagmom": null,
"emu/g": null,
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"gga_gap": null,
"report-no": null,
"m06_scharber_voc": null,
"gap": null,
"Multiphase": null,
"Electric field": null,
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"CSM": null,
"axial_distortion": null,
"O2 Conv(%)": null,
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"Band_gap_HSE_optical": null,
"pbe0_lumo": null,
"C2-yield-class": null,
"Synthesis_Time": null,
"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
"10": null,
"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
"55": null,
"SSA (m2 g -1 )": null,
"MetalPart": null,
"b3lyp_scharber_pce": null,
"HSE_mix_energy": null,
"spg_symbol": null,
"spillage": null,
"C2H4 yield (%)": null,
"formal_charge": null,
"formula": null,
"optb88vdw_bandgap": null,
"Formation_energy": null,
"id": null,
"formation_energy (eV/atom)": null,
"dos_ef": null,
"χpb": null,
"M3": null,
"band_gap_ind": null,
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"cycle3": null,
"ReactionType": null,
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"_oqmd_stability": null,
"COx": null,
"PAr (atm)": null,
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"X": null,
"M4": null,
"name": null,
"mu_b": null,
"natoms": null,
"Ref": null,
"axial_distortion": null,
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"M": null,
"f_enp": null,
"t": null,
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"RH2(µmol h-1 g-1)": null,
"date": null,
"CatW(g/L)": null,
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"En": null,
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"elastic_tensor": null,
"B site #1": null,
"Tol": null,
"OC": null,
"energy": null,
"Support": null,
"_oqmd_entry_id": null,
"DOI": null,
"Ln_Kramers": null,
"doi": null,
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"gap": null,
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"elastic anisotropy": null,
"species": null,
"volume": null,
"B_Tb": null,
"ρa": null,
"crystal_system": null,
"γ＇相尺寸 (nm)": null,
"reaction_energy": null,
"M2": null,
"ΔfusHa": null,
"efermi": null,
"Ra": null,
"final_energy": null,
"Mainproduct": null,
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"a_key": null,
"r2": null,
"CH4/O2 (mol/mol)": null,
"C2y": null,
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"formula_energy": null,
"Tc": null,
"CSM": null,
"cycle1": null,
"band_gap": null,
"alpha": null,
"G": null,
"Par": null,
"avg_max": null,
"decomposition": null,
"Eg(eV)": null,
"sub_family": null,
"Rb": null,
"SMILES_relaxed": null,
"Modulus of Elasticity 10³ Mpa": null,
"enthalpy_atom": null,
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"volume_std_0": null,
"offset": null,
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"B": null,
"ρb": null,
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"jid": null,
"Bsite_NdValence_range": null,
"spg_number": null,
"atoms": null,
"A_B": null,
"dfpt_piezo_max_dielectric_ionic": null,
"enthalpy_formation_0K": null,
"symbol": null,
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"furnace length(mm)": "270",
"gap pbe": null,
"c": null,
"total_magnetization": null,
"e_hull": null,
"Ru": null,
"bulk_modulus_kv": null,
"Degradation rate(%)": null,
"material_id": null,
"WeigthMetalLoading": null,
"DT (℃)": null,
"R2": null,
"material_type": null,
"Pore Volume (cm3/g)": null,
"Material Family": null,
"scf_vbm": null,
"Alloying": null,
"optb88vdw_vbm": null,
"e_phase_separation": null,
"CO yield (%)": null,
"mu": null,
"mT": null,
"CH3Ead": null,
"shear_modulus_gv": null,
"report-no": null,
"CH4Ead": null,
"source_folder": null,
"title": null,
"cellpressure": null,
"pbe0_description": null,
"initial_atoms": null,
"bader_atomic_volumes": null,
"e_above_hull": null,
"HSE_gap": null,
"Log_fom": null,
"PBE_decomp_energy": null,
"method": null,
"defective_energy": null,
"shear modulus": null,
"magmom_oszicar": null,
"Robs": null,
"closest_polyhedron": null,
"m06_homo": null,
"pH": null,
"Ra/Rb": null,
"e_form": null,
"CH4-pressure": null,
"phon_dat": null,
"m06_scharber_voc": null,
"elasticity": null,
"src": null,
"Material": null,
"Ref.": null,
"indir_gap": null,
"lumo": null,
"mbj_bandgap": null,
"authors_parsed": null,
"license": null,
"Ni": null,
"B site #2": null,
"similarity": null,
"Reactor_Volume": null,
"activation_energy": null,
"Country": null,
"Illumination time (min)": null,
"goldschmidt_TF_ionic": null,
"elements": null,
"M1": null,
"_oqmd_band_gap": null,
"abstract": null,
"Lattice": null,
"时效温度T (℃)": null,
"comments": null,
"cycle5": null,
"_oqmd_delta_e": null,
"surf_cbm": null,
"chem_pot": null,
"Y": null,
"Cation4": null,
"I1b": null,
"mat_id": null,
"bulk modulus": null,
"scf_cbm": null,
"Product": null,
"source_id": null,
"min_co2_adsp": null,
"Catalyst/Pollutant mass ratio": null,
"时效时间t (h)": null,
"Degradation efficiency (%)": null,
"SBET(m2/g)": null,
"mol_weight": null,
"authors": null,
"nsites": null,
"versions": null,
"nat": null,
"C2 yield (%)": null,
"Time": null,
"Photocatalyst dose(g L-1)": null,
"ef": null,
"diel_tot": null,
"PM": null,
"Stirring, rpm": null,
"full_formula": null,
"AH (h)": null,
"IF": null,
"U": null,
"surface_area_m2cm3": null,
"Eps_elec": null,
"bertz_ct_mean_0": null,
"composition": null,
"diel": null,
"CT (℃)": null,
"A2 site": null,
"C.E. %": null,
"Synthesis time": null,
"bp86_scharber_pce": null,
"optb88vdw_cbm": null,
"bp86_homo": null,
"lcd": null,
"X site": null,
"zpve": null,
"Ref_ind": null,
"Total flow (mL/min)": null,
"pld": null,
"Duration of cycles (h)": null,
"update_date": null,
"Year": null,
"B site #3": null,
"Polymer type": null,
"B_O": null,
"PBE_gap": null,
"Normalised Value": null,
"slme": null,
"surf_en": null,
"An": null,
"icsd_ids": null,
"EnergyAboveHull": null,
"location": null,
"source": null,
"O2-pressure": null,
"Indexed_Date": null,
"pbe0_gap": null,
"FD1": null,
"Am": null,
"wavelength": null,
"label": null,
"CH4/O2 ratio": null,
"concentration": null,
"Base": null,
"categories": null,
"bp86_lumo": null,
"Antibiotic dosage (mg/L)": null,
"AA": null,
"Cation3": null,
"Cation3-mol": null,
"vol": null,
"Magnetic_ordering": null,
"Number of elements": null,
"Mg": null,
"Power(W)": null,
"Light intensity(W)": null,
"µ_B/f.u.": null,
"A_Tm": null,
"Perovskite": null,
"Dense2": null,
"Temperature": null,
"Am^2/kg": null,
"total_mag": null,
"kv": null,
"loading (g/l)": null,
"bandgap": null,
"osda smiles": null,
"Surface Area(m2/g)": null,
"bulk_formula": null,
"B_Tm": null,
"energy_atom": null,
"EAa": null,
"Catalyst": null,
"Doping": null,
"Type": null,
"Band_gap_HSE": null,
"spacegroup_number": null,
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"Direct_or_indirect_HSE": null,
"homo": null,
"Illumination time(min)": null,
"ref": null,
"cycle4": null,
"coordination_number": null,
"sigvol": null,
"omega1": null,
"aurl": null,
"H": null,
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"total": null,
"final_atoms": null,
"exfoliation_energy_per_atom": null,
"MP (K)": null,
"Co": null,
"diffrtemp": null,
"-log(k), min-1": null,
"formation_energy_per_atom": null,
"T, oC": null,
"CO3 ion, mM": null,
"poisson": null,
"Preparation method": null,
"Volume": null,
"inertial_shape_factor_std_0": null,
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"Light Type": null,
"func": null,
"Temperature, C": null,
"octahedral_factor_ionic": null,
"void_fraction": null,
"ProdRate(μmol/g)": null,
"a": null,
"bulk_energy": null,
"D, g/L": null,
"Al": null,
"Po2": null,
"egap_fit": null,
"La": null,
"Warning_OER.1": null,
"HOMO": null,
"Pt": null,
"overpotential V": null,
"nelements": null,
"energy_above_hull (meV/atom)": null,
"C2 selectivity (%)": null,
"ZPVE": null,
"Journal_Name": null,
"Facility": null,
"Judge_Hydrothermal": null,
"stress": null,
"BandGap(eV)": null,
"EAb": null,
"Pch4": null,
"unit": null,
"slope_CSM": null,
"surf_dat": null,
"prototype_id": null,
"-V vs. RHE V": null,
"Au": null,
"K": null,
"unit_cell_formula": null,
"ff_vac": null,
"b3lyp_scharber_jsc": null,
"spg": null,
"Surfactant type": null,
"A m^2/kg": null,
"energy_corrected": null,
"I, mW/cm2": null,
"Ca ion, mM": null,
"Nanostructuring": null,
"spacegroup": null,
"Substrates": null,
"J.uAcm2_0.63_initialCA": null,
"Surface Strain": null,
"hse_gap": null,
"Ca": null,
"X1": null,
"pretty_formula": null,
"MR1": null,
"C_AtomN": null,
"A site #3": null,
"goldschmidt_TF": null,
"Direct_or_indirect": null,
"value": null,
"co2_pressures": null,
"wycoff": null,
"C0, mg/L": null,
"ab": null,
"HCO3 ion, mM": null,
"Surfactant, % wt.": null,
"Direct_Band": null,
"Yield (μmol/g/h)": null,
"Solvent type": null,
"num_bonds_mean_0": null,
"atom_en": null,
"at. wt.": null,
"spacegroup_symbol": null,
"CIF_type": null,
"PBE_latt_const": null,
"surface_area_m2g": null,
"vac_dat": null,
"sgNumber": null,
"Anion2-mol": null,
"topology": null,
"cycle2": null,
"Dope": null,
"Space_group_rlx": null,
"chemical_family": null,
"journal-ref": null,
"A_Tb": null,
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"Ionic Radius (angstroms)": null,
"pbe0_homo": null,
"CH4 Conv(%)": null,
"band_gap_dir": null,
"pub_year": null,
"axes_mean_0": null,
"Polymer, % wt.": null,
"Resource": null,
"Support1-mol": null,
"Additional": null,
"search": null,
"Reaction solution": null,
"Si": null,
"C2s": null,
"OH": null,
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"co2_absp": null,
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"U0": null
} | complex | In a tabular data structure, locate the cells that meet the requirements. | Identify the carbon deficit percentage for resource type {} at a furnace length of {} mm. |
Find the unique identifier (ID) for the material with formula Tb1Th3.4Ru0.6B4. | table65 | [
"formula",
"id"
] | [
"formula"
] | [
"id"
] | {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"PM": null,
"CT (℃)": null,
"SBET(m2/g)": null,
"ReactionType": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"jid": null,
"magmom_oszicar": null,
"M3": null,
"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"osda smiles": null,
"search": null,
"formula": "Tb1Th3.4Ru0.6B4",
"Material Composition": null,
"goldschmidt_TF_ionic": null,
"octahedral_factor": null,
"shear modulus": null,
"elastic anisotropy": null,
"prototype_id": null,
"elements": null,
"Materials": null,
"M1": null,
"CH4 conversion (%)": null,
"location": null,
"id": null,
"Full Name of Perovskite": null,
"MetalRatio": null,
"Eg(eV)": null,
"_oqmd_delta_e": null,
"CH4-pressure": null,
"spg_number": null,
"Support": null,
"M2": null,
"C2 yield (%)": null,
"Base": null,
"Composition": null,
"Surface Area(m2/g)": null,
"O2 Conv. (%)": null,
"M3 (wt%)": null,
"inchi": null,
"co2_absp": null,
"surface_area_m2g": null,
"co2_pressures": null,
"spacegroup_symbol": null,
"indir_gap": null,
"source_folder": null,
"OC": null,
"C0, mg/L": null,
"compound": null,
"chemical_family": null,
"DOI": null,
"Catalyst": null,
"natoms": null,
"stress": null,
"Ra": null,
"Rb": null,
"χpa": null,
"emu/cm^3": null,
"Molecular formula": null,
"file": null,
"Exp": null,
"E_AtomN": null,
"Indirect_Band": null,
"Volume": null,
"Lattice": null,
"D": null,
"spg_symbol": null,
"PBE_latt_const": null,
"HSE_latt_const": null,
"Ra/Rb": null,
"poisson": null,
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} | search_value | {
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} | simple | In a tabular data structure, locate the cells that meet the requirements. | Find the unique identifier (ID) for the material with formula {}. |
What reaction conditions are specified for the catalyst 9,3%NiPt(3:1)/Al2O3? | table30 | [
"Catalyst",
"Reaction"
] | [
"Catalyst"
] | [
"Reaction"
] | {"PM":null,"CT (℃)":null,"SBET(m2/g)":null,"ReactionType":null,"b3lyp_homo":null,"b3lyp_lumo":null(...TRUNCATED) | search_value | {"SSA (m2 g -1 )":null,"MetalPart":null,"b3lyp_scharber_pce":null,"HSE_mix_energy":null,"spg_symbol"(...TRUNCATED) | simple | In a tabular data structure, locate the cells that meet the requirements. | What reaction conditions are specified for the catalyst {}? |
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CataTQA: A Benchmark for Tool-Augmented LLM Question Answering over Heterogeneous Catalysis Tables
Despite their success in general question answering, large language models (LLMs) struggle with hallucinations and inaccurate reasoning in scientific domains. A major challenge stems from experimental data, which are often stored in external sources like supplementary materials and domain-specific databases. These tables are large, heterogeneous, and semantically complex, making them difficult for LLMs to interpret. While external tools show promise, current benchmarks fail to assess LLMs' ability to navigate this data—particularly in locating relevant tables, retrieving key columns, interpreting experimental conditions, and invoking tools. To address this gap, we introduce CataTQA, a new benchmark for catalytic materials. CataTQA features an automated dataset framework and four auxiliary tools. We evaluate tool-enhanced LLMs across five dimensions: table location, column retrieval, condition analysis, tool calling, and question answering, identifying their strengths and weaknesses. Our work sets a new benchmark for evaluating LLMs in scientific fields and paves the way for future advancements. All data and code are publicly available on GitHub.
Dataset Field Description
- question:A table question.
- refer_dataset:Generate a reference dataset of questions and answers.
- column namesThe column name used to generate the problem.
- condition_column:The column names that need to be filled in to generate the problem.
- answer_column:Column name of the answer.
- condition:Conditions contained in the question.
- answer:Answers to questions.
- tool:Tools for answering questions.
- level:The level of the problem.
- question description:Question type description.
- refer_template:Template question.
Example
{
"question": "Identify the material ID linked to a total energy per atom of -4.093124536666667.",
"refer_dataset": "table67",
"column names": ["energy_per_atom", "material_id"],
"condition_column": ["energy_per_atom"],
"answer_column": ["material_id"],
"condition": {"energy_per_atom": "-4.093124536666667"},
"tool": "search_value",
"answer": {"material_id": "2dm-6"},
"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 {}."
}
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