Question: Given a conduction band minimum (CBM) of 5.4775, what is the total energy after optimization?

In a tabular data structure, locate the cells that meet the requirements.

Given a conduction band minimum (CBM) of {}, what is the total energy after optimization?


Question: Determine the journal impact factor for an article published by the institution Univ Bradford in England country.

In a tabular data structure, locate the cells that meet the requirements.

Determine the journal impact factor for an article published by the institution {} in {} country.


Question: What is the formation energy per atom for the Mg-F compound with job ID JQE-208?

In a tabular data structure, locate the cells that meet the requirements.

What is the formation energy per atom for the Mg-F compound with job ID {}?


Question: What is the chemical family classification for the compound with the formula [Pc2Ho]TBA?

In a tabular data structure, locate the cells that meet the requirements.

What is the chemical family classification for the compound with the formula {}?


Question: Determine the cycle4 performance for the perovskite referenced as [A111] with secondary A site La and primary B site Ta.

In a tabular data structure, locate the cells that meet the requirements.

Determine the cycle4 performance for the perovskite referenced as {} with secondary A site {} and primary B site {}.


Question: What is the cycle1 measurement for perovskites with primary A site Sr, secondary B2 site Nb, and cycle duration of 13.0 hours?

A site
B2 site
Duration of cycles (h)
cycle1

In a tabular data structure, locate the cells that meet the requirements.

What is the cycle1 measurement for perovskites with primary A site {}, secondary B2 site {}, and cycle duration of {} hours?


Question: What is the mean number of bonds (num_bonds_mean_0) associated with SMILES C(CCC[N+]12CCN(CC1)CC2)CCC[N+]12CCN(CC1)CC2?

In a tabular data structure, locate the cells that meet the requirements.

What is the mean number of bonds (num_bonds_mean_0) associated with SMILES {}?


Question: What chemical environment (1=electrolyte, 2=pressure) is used for a 0.0 co-catalyst at pH 7.0 with N-doped carbon material?

Chemical Environment 1=electrolyte 2=pressure

In a tabular data structure, locate the cells that meet the requirements.

What chemical environment (1=electrolyte, 2=pressure) is used for a {} co-catalyst at pH {} with {} material?


Question: Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of -11.24600315093994 and heat capacity (Cv) of 6.315999984741211.

In a tabular data structure, locate the cells that meet the requirements.

Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of {} and heat capacity (Cv) of {}.


Question: At what calcination temperature (CT) was the perovskite oxide LaMg0.2Cr0.8O3 synthesized?

In a tabular data structure, locate the cells that meet the requirements.

At what calcination temperature (CT) was the perovskite oxide {} synthesized?


Question: What is the nanostructuring status (0=no, 1=yes) of a OD-Cu catalyst published in 2012.0 with Coulombic efficiency above 45.0%?

Catalyst label
Year
C.E. %
Nanostructuring

In a tabular data structure, locate the cells that meet the requirements.

What is the nanostructuring status (0=no, 1=yes) of a {} catalyst published in {} with Coulombic efficiency above {}%?


Question: What illumination time (min) is required for material MIL-101 at pH 4.1 to reach 25.0% degradation efficiency?

Material
pH
Degradation efficiency (%)
Illumination time (min)

In a tabular data structure, locate the cells that meet the requirements.

What illumination time (min) is required for material {} at pH {} to reach {}% degradation efficiency?


Question: Identify the Reaction energy (ReactionE) for a Composition of BeNe and Base Be.

In a tabular data structure, locate the cells that meet the requirements.

Identify the Reaction energy (ReactionE) for a Composition of {} and Base {}.


Question: Retrieve the chemical composition formula for the material with ID 14511 and a recorded Tc of 55.0.

In a tabular data structure, locate the cells that meet the requirements.

Retrieve the chemical composition formula for the material with ID {} and a recorded Tc of {}.


Question: What is the primary material of the catalyst labeled Au nanoporous?

In a tabular data structure, locate the cells that meet the requirements.

What is the primary material of the catalyst labeled {}?


Question: What is the chemical formula of the compound with job ID JQE-6?

In a tabular data structure, locate the cells that meet the requirements.

What is the chemical formula of the compound with job ID {}?


Question: Report the PBE bandgap for a material with mu_b 5.6e-06 and ID mp-10004:

In a tabular data structure, locate the cells that meet the requirements.

Report the PBE bandgap for a material with mu_b {} and ID {}:


Question: What is the bulk energy value for the material with job identifier JVASP-987?

In a tabular data structure, locate the cells that meet the requirements.

What is the bulk energy value for the material with job identifier {}?


Question: Given a valence band maximum (VBM) of 6.4261 and a band alignment offset of 0.8230729226123605, determine the total optimized energy.

In a tabular data structure, locate the cells that meet the requirements.

Given a valence band maximum (VBM) of {} and a band alignment offset of {}, determine the total optimized energy.


Question: Which solvent type is paired with a surfactant percentage of 0.195 wt.%?

In a tabular data structure, locate the cells that meet the requirements.

Which solvent type is paired with a surfactant percentage of {} wt.%?


Question: At what calcination temperature (CT) was the perovskite oxide ZnTiO3 synthesized?

In a tabular data structure, locate the cells that meet the requirements.

At what calcination temperature (CT) was the perovskite oxide {} synthesized?


Question: What unit is associated with a measured value of 285?

In a tabular data structure, locate the cells that meet the requirements.

What unit is associated with a measured value of {}?


Question: With Ag dopant and 75.0 catalyst/pollutant ratio, what is the required Illumination time(min)?

Dopant
Catalyst/Pollutant mass ratio
Illumination time(min)

In a tabular data structure, locate the cells that meet the requirements.

With {} dopant and {} catalyst/pollutant ratio, what is the required Illumination time(min)?


Question: Determine the boiling temperature of component A (A_Tb) if the melting temperatures of A (A_Tm) and B (B_Tm) are 918.0 and 1557.8, respectively, with a radius ratio (Ra/Rb) of 1.817.

In a tabular data structure, locate the cells that meet the requirements.

Determine the boiling temperature of component A (A_Tb) if the melting temperatures of A (A_Tm) and B (B_Tm) are {} and {}, respectively, with a radius ratio (Ra/Rb) of {}.


Question: Identify the support material used with primary metal Li, secondary metal Mg, and a conversion yield of 10.8%?

In a tabular data structure, locate the cells that meet the requirements.

Identify the support material used with primary metal {}, secondary metal {}, and a conversion yield of {}%?


Question: Find the LUMO energy level (eV) of the compound with HOMO energy level -0.28146 eV and species H2OHCOOH.

In a tabular data structure, locate the cells that meet the requirements.

Find the LUMO energy level (eV) of the compound with HOMO energy level {} eV and species {}.


Question: Determine the void fraction of the MOF with pore limiting diameter 0.25 Å.

In a tabular data structure, locate the cells that meet the requirements.

Determine the void fraction of the MOF with pore limiting diameter {} Å.


Question: At what pH does material MIL-101 achieve 50.0% degradation efficiency with illumination time 10 minutes?

Material
Degradation efficiency (%)
Illumination time (min)
pH

In a tabular data structure, locate the cells that meet the requirements.

At what pH does material {} achieve {}% degradation efficiency with illumination time {} minutes?


Question: What is the BET surface area (m²/g) of the catalyst titled "6%NiPt(99:1)/Al2O3Active"؟

6%NiPt(99:1)/Al2O3Active

In a tabular data structure, locate the cells that meet the requirements.

What is the BET surface area (m²/g) of the catalyst titled "{}"؟


Question: Identify the OER warning flag status for the article from South Korea (Country) with an alkaline overpotential of 99.8.

In a tabular data structure, locate the cells that meet the requirements.

Identify the OER warning flag status for the article from {} (Country) with an alkaline overpotential of {}.


Question: At what process temperature (°C) does a catalyst with M1 as Li, support material Al, and methane partial pressure (Pch4) of 0.6 yield the highest conversion?

In a tabular data structure, locate the cells that meet the requirements.

At what process temperature (°C) does a catalyst with M1 as {}, support material {}, and methane partial pressure (Pch4) of {} yield the highest conversion?


Question: What is the electron affinity of element B (EAb) when its first ionization energy (I1b) is 6.833?

In a tabular data structure, locate the cells that meet the requirements.

What is the electron affinity of element B (EAb) when its first ionization energy (I1b) is {}?


Question: For material Perov-9, what is the HSE mixing energy?

In a tabular data structure, locate the cells that meet the requirements.

For material {}, what is the HSE mixing energy?


Question: Identify the minimum CO₂ adsorption capacity for an MOF with largest cavity diameter 17.25 Å, pore limiting diameter 15.25 Å, and pressure [0.01, 0.05, 0.1, 0.5, 2.5] bar.

In a tabular data structure, locate the cells that meet the requirements.

Identify the minimum CO₂ adsorption capacity for an MOF with largest cavity diameter {} Å, pore limiting diameter {} Å, and pressure {} bar.


Question: For the perovskite compound SrIn0.5Nb0.5O3, what is the cycle5 performance when the primary A site is Sr and the primary B site is In?

Full Name of Perovskite
A site
B site
cycle5

In a tabular data structure, locate the cells that meet the requirements.

For the perovskite compound {}, what is the cycle5 performance when the primary A site is {} and the primary B site is {}?


Question: What is the partial pressure of methane (Pch4) at an oxygen partial pressure (Po2) of 0.26?

In a tabular data structure, locate the cells that meet the requirements.

What is the partial pressure of methane (Pch4) at an oxygen partial pressure (Po2) of {}?


Question: What is the molecular weight of the OSDA molecule with SMILES notation BrCCCCBr?

In a tabular data structure, locate the cells that meet the requirements.

What is the molecular weight of the OSDA molecule with SMILES notation {}?


Question: What Bohr magnetons per formula unit (µ_B/f.u.) are reported for sentence number 140?

In a tabular data structure, locate the cells that meet the requirements.

What Bohr magnetons per formula unit (µ_B/f.u.) are reported for sentence number {}?


Question: Retrieve the formula_energy of the compound with ID 1759 and formula PbTe.

In a tabular data structure, locate the cells that meet the requirements.

Retrieve the formula_energy of the compound with ID {} and formula {}.


Question: Which parsed authors correspond to papers in hep-ex category published in Phys.Rev.D76:052005,2007 journal?

[['The BABAR Collaboration', '', ''], ['Aubert', 'B.', '']]

In a tabular data structure, locate the cells that meet the requirements.

Which parsed authors correspond to papers in {} category published in {} journal?


Question: Determine the ID for the material whose formula is La1.85Ca0.989Sr0.161Cu2O5.93.

In a tabular data structure, locate the cells that meet the requirements.

Determine the ID for the material whose formula is {}.


Question: Retrieve the internal energy (U) of a material where the zero-point vibrational energy is 2.028391122817993 and enthalpy is -29.481576919555664.

In a tabular data structure, locate the cells that meet the requirements.

Retrieve the internal energy (U) of a material where the zero-point vibrational energy is {} and enthalpy is {}.


Question: Which primary metal (M1) is used with the support material Ag?

In a tabular data structure, locate the cells that meet the requirements.

Which primary metal (M1) is used with the support material {}?


Question: How many atoms are present in the Mg-F compound with the job identifier JQE-10?

In a tabular data structure, locate the cells that meet the requirements.

How many atoms are present in the Mg-F compound with the job identifier {}?


Question: What is the formation energy per atom for the material mp-1179088 (Materials Project ID)?

In a tabular data structure, locate the cells that meet the requirements.

What is the formation energy per atom for the material {} (Materials Project ID)?


Question: Which reference tested organic compound 1,4-Dioxane under both light intensity 1.4 mW/cm² and dose 0.5 g/L?

In a tabular data structure, locate the cells that meet the requirements.

Which reference tested organic compound {} under both light intensity {} mW/cm² and dose {} g/L?


Question: Which country's institution is associated with the article having DOI 10.1002/cctc.202001343?

In a tabular data structure, locate the cells that meet the requirements.

Which country's institution is associated with the article having DOI {}?


Question: For ICSD_number 10017, what lattice-derived space group correlates with the 189 eV GGA optical band gap?

In a tabular data structure, locate the cells that meet the requirements.

For ICSD_number {}, what lattice-derived space group correlates with the {} eV GGA optical band gap?


Question: Which database entry corresponds to a material with a band gap of 0.915?

In a tabular data structure, locate the cells that meet the requirements.

Which database entry corresponds to a material with a band gap of {}?


Question: What desorption temperature (DT) is associated with the molecular formula LaMg0.4Cr0.6O3 aged for 5 hours?

In a tabular data structure, locate the cells that meet the requirements.

What desorption temperature (DT) is associated with the molecular formula {} aged for {} hours?


Question: What is the Cobalt content (%) when the Nickel content is 84.0%?

In a tabular data structure, locate the cells that meet the requirements.

What is the Cobalt content (%) when the Nickel content is {}%?


Question: What is the melting temperature of component B (B_Tm) when element B’s density (ρb) is 4.68, boiling temperature (B_Tb) is 3327.56, and electron affinity (EAb) is 9.53?

In a tabular data structure, locate the cells that meet the requirements.

What is the melting temperature of component B (B_Tm) when element B’s density (ρb) is {}, boiling temperature (B_Tb) is {}, and electron affinity (EAb) is {}?


Question: What perovskite has a value of -0.00476 in feature 17 and a similarity score of 0.318801?

In a tabular data structure, locate the cells that meet the requirements.

What perovskite has a value of {} in feature 17 and a similarity score of {}?


Question: What is the HSE-calculated bandgap for the material with a PBE lattice constant of 5.93 Å and a tolerance factor of 1.032?

In a tabular data structure, locate the cells that meet the requirements.

What is the HSE-calculated bandgap for the material with a PBE lattice constant of {} Å and a tolerance factor of {}?


Question: What is the Fermi energy level (efermi) of surface Surface-JVASP-1750_miller_1_1_0_thickness_16_VASP_PBE_noDP composed of ErSbPd when the SCF conduction band minimum is 6.88?

In a tabular data structure, locate the cells that meet the requirements.

What is the Fermi energy level (efermi) of surface {} composed of {} when the SCF conduction band minimum is {}?


Question: Determine the OptB88vdW-derived bandgap of the material with formula TiBr3?

In a tabular data structure, locate the cells that meet the requirements.

Determine the OptB88vdW-derived bandgap of the material with formula {}?


Question: How many hours of aging (AH) are recorded for the perovskite oxide composition ZnTiO3?

In a tabular data structure, locate the cells that meet the requirements.

How many hours of aging (AH) are recorded for the perovskite oxide composition {}?


Question: What B3LYP Scharber Jsc corresponds to an entry where B3LYP gap is 0.087 and id is 4?

In a tabular data structure, locate the cells that meet the requirements.

What B3LYP Scharber Jsc corresponds to an entry where B3LYP gap is {} and id is {}?


Question: Identify the SCF conduction band minimum for the surface structure identifier Surface-JVASP-15348_miller_1_1_0_thickness_16_VASP_PBE_noDP.

In a tabular data structure, locate the cells that meet the requirements.

Identify the SCF conduction band minimum for the surface structure identifier {}.


Question: Identify the C2 hydrocarbon selectivity (C2s) for a catalyst with a secondary metal (M2) of Na, tertiary metal (M3) of W, and CO selectivity (COs) of 84.95.

In a tabular data structure, locate the cells that meet the requirements.

Identify the C2 hydrocarbon selectivity (C2s) for a catalyst with a secondary metal (M2) of {}, tertiary metal (M3) of {}, and CO selectivity (COs) of {}.


Question: What is the formation energy value associated with the unique job identifier JVASP-25213?

In a tabular data structure, locate the cells that meet the requirements.

What is the formation energy value associated with the unique job identifier {}?


Question: How many elements are present in the compound with the formula Gd1Pt2?

In a tabular data structure, locate the cells that meet the requirements.

How many elements are present in the compound with the formula {}?


Question: Report the tertiary B site element for the compound Ba2Gd6Fe8O24.

In a tabular data structure, locate the cells that meet the requirements.

Report the tertiary B site element for the compound {}.


Question: What is the Tc of the superconducting material identified by 1721 and formula Nb1Re3?

In a tabular data structure, locate the cells that meet the requirements.

What is the Tc of the superconducting material identified by {} and formula {}?


Question: What Water content (H2O) corresponds to a Hydroxide ion concentration (OH) of 84.375?

In a tabular data structure, locate the cells that meet the requirements.

What Water content (H2O) corresponds to a Hydroxide ion concentration (OH) of {}?


Question: What is the nanoparticle dose (g/L) applied for 1,4-Dioxane under pH 9.0?

In a tabular data structure, locate the cells that meet the requirements.

What is the nanoparticle dose (g/L) applied for {} under pH {}?


Question: What job ID investigates shear modulus (Voigt) values for the element -Cd-Se-Zn?

In a tabular data structure, locate the cells that meet the requirements.

What job ID investigates shear modulus (Voigt) values for the element {}?


Question: What is the elastic anisotropy value for the material identified as Hf2S by formula?

In a tabular data structure, locate the cells that meet the requirements.

What is the elastic anisotropy value for the material identified as {} by formula?


Question: For a system with a final energy of -207.57252903 and bandgap of -0.6938999999999993, what is the valence band maximum (VBM) via OptB88-vdW?

In a tabular data structure, locate the cells that meet the requirements.

For a system with a final energy of {} and bandgap of {}, what is the valence band maximum (VBM) via OptB88-vdW?


Question: What bicarbonate (HCO3) ion concentration results from Ca ion 49 mM, solvent type Dimethylformamide, and synthesis time 44 min 50 sec?

Ca ion, mM
Solvent type
Synthesis time
HCO3 ion, mM

In a tabular data structure, locate the cells that meet the requirements.

What bicarbonate (HCO3) ion concentration results from Ca ion {} mM, solvent type {}, and synthesis time {}?


Question: What is the total ab initio energy per atom for the material with Bader net charges of [-0.3077, -0.264, -0.3068, -0.3895, -0.3439, -0.3457, 1.2213, 1.2216, 1.375, -0.1579, -0.1699, -0.1695, -0.1538, -0.1684, -0.1568, -0.3968, -0.2935, -0.1938]?

In a tabular data structure, locate the cells that meet the requirements.

What is the total ab initio energy per atom for the material with Bader net charges of {}?


Question: Determine the electronic polarizability (alpha) for a sample identified by 8 with a HOMO-LUMO gap of 1.94216821965969.

In a tabular data structure, locate the cells that meet the requirements.

Determine the electronic polarizability (alpha) for a sample identified by {} with a HOMO-LUMO gap of {}.


Question: What tertiary metal (M3) is used when the secondary metal (M2) is Cr?

In a tabular data structure, locate the cells that meet the requirements.

What tertiary metal (M3) is used when the secondary metal (M2) is {}?


Question: Identify the ITQ zeolite presence (ITQ) for parameters: HF quantity (HF) no, Water content (H2O) 0.312, and Secondary dense phase material (Dense2) 10.0.

In a tabular data structure, locate the cells that meet the requirements.

Identify the ITQ zeolite presence (ITQ) for parameters: HF quantity (HF) {}, Water content (H2O) {}, and Secondary dense phase material (Dense2) {}.


Question: Find the ionic radius (Å) for the element with atomic number 0.5.

Atomic Radius (Å)
Ionic Radius (angstroms)

In a tabular data structure, locate the cells that meet the requirements.

Find the ionic radius (Å) for the element with atomic number {}.


Question: Provide the GGA band gap energy (gga_gap) for the material labeled 3.7017 with a unit cell volume of Cd-based_polymer cubic angstroms.

In a tabular data structure, locate the cells that meet the requirements.

Provide the GGA band gap energy (gga_gap) for the material labeled {} with a unit cell volume of {} cubic angstroms.


Question: Identify the Reaction energy (ReactionE) for a Composition of BeO and Base Be.

In a tabular data structure, locate the cells that meet the requirements.

Identify the Reaction energy (ReactionE) for a Composition of {} and Base {}.


Question: What is the melting point (in Kelvin) of the element with symbol Li?

In a tabular data structure, locate the cells that meet the requirements.

What is the melting point (in Kelvin) of the element with symbol {}?


Question: Calculate the melting temperature of element A (A_Tm) for materials with Ra = 113.5 Å and density (ρa) = 4.79 g/cm³.

In a tabular data structure, locate the cells that meet the requirements.

Calculate the melting temperature of element A (A_Tm) for materials with Ra = {} Å and density (ρa) = {} g/cm³.


Question: What surface energy values are measured for the material TiO4?

In a tabular data structure, locate the cells that meet the requirements.

What surface energy values are measured for the material {}?


Question: What is the optimized molecular structure (SMILES_relaxed) of a molecule with HOMO energy -0.7643322709248 and LUMO energy 1.51686422304909?

In a tabular data structure, locate the cells that meet the requirements.

What is the optimized molecular structure (SMILES_relaxed) of a molecule with HOMO energy {} and LUMO energy {}?


Question: Find the sulfate ion relationships: What CO3 ion concentration occurs at polymer type PEG, temperature 47 C, and surfactant 0.0%?

Polymer type
Temperature, C
Surfactant, % wt.
CO3 ion, mM

In a tabular data structure, locate the cells that meet the requirements.

Find the sulfate ion relationships: What CO3 ion concentration occurs at polymer type {}, temperature {} C, and surfactant {}%?


Question: Which space group is assigned to the material with the chemical formula AlCu?

In a tabular data structure, locate the cells that meet the requirements.

Which space group is assigned to the material with the chemical formula {}?


Question: Find the HSE band gap energy (hse_gap) of the material classified as 5.4439 processed using the Cd-based_polymer method.

In a tabular data structure, locate the cells that meet the requirements.

Find the HSE band gap energy (hse_gap) of the material classified as {} processed using the {} method.


Question: Find the sulfate ion relationships: What CO3 ion concentration occurs at polymer type PSS, temperature 28 C, and surfactant 0.0%?

Polymer type
Temperature, C
Surfactant, % wt.
CO3 ion, mM

In a tabular data structure, locate the cells that meet the requirements.

Find the sulfate ion relationships: What CO3 ion concentration occurs at polymer type {}, temperature {} C, and surfactant {}%?


Question: If the OptB88-vdW bandgap is 0.8818999999999999, what is the valence band maximum (VBM)?

In a tabular data structure, locate the cells that meet the requirements.

If the OptB88-vdW bandgap is {}, what is the valence band maximum (VBM)?


Question: For entry ID 10, what is the B3LYP Scharber Jsc value?

In a tabular data structure, locate the cells that meet the requirements.

For entry ID {}, what is the B3LYP Scharber Jsc value?


Question: Which element occupies the primary B site position in the compound Ba1Sr7V8O24?

In a tabular data structure, locate the cells that meet the requirements.

Which element occupies the primary B site position in the compound {}?


Question: What is the bulk modulus of the material designated by ID mp-1000588?

In a tabular data structure, locate the cells that meet the requirements.

What is the bulk modulus of the material designated by ID {}?


Question: What perovskite has a value of -0.05311 in feature 17 and a similarity score of 0.288779?

In a tabular data structure, locate the cells that meet the requirements.

What perovskite has a value of {} in feature 17 and a similarity score of {}?


Question: What overpotential (V) is required for the catalyst Au nanoporous to function?

In a tabular data structure, locate the cells that meet the requirements.

What overpotential (V) is required for the catalyst {} to function?


Question: What is the reference number for the experiment testing 1,4-Dioxane with nanoparticle dose 1.5 g/L?

In a tabular data structure, locate the cells that meet the requirements.

What is the reference number for the experiment testing {} with nanoparticle dose {} g/L?


Question: What is the CH4/O2 molar ratio required for 27.1% methane conversion at a temperature of 850.0℃ with Support MgO?

CH4 conversion (%)
Temp. (℃)
Support
CH4/O2 (mol/mol)

In a tabular data structure, locate the cells that meet the requirements.

What is the CH4/O2 molar ratio required for {}% methane conversion at a temperature of {}℃ with Support {}?


Question: What is the temperature in Kelvin corresponding to a magnetic flux density of 1.0 mT?

In a tabular data structure, locate the cells that meet the requirements.

What is the temperature in Kelvin corresponding to a magnetic flux density of {} mT?


Question: List the elements present in the material with formula Ac stored at extra/batch-001/Ac/Ac/xxx_02a-00_agm003157159_spg225?

In a tabular data structure, locate the cells that meet the requirements.

List the elements present in the material with formula {} stored at {}?


Question: Which bulk formula corresponds to job identifier JVASP-922 after achieving chemical potential -5.64031724137931?

In a tabular data structure, locate the cells that meet the requirements.

Which bulk formula corresponds to job identifier {} after achieving chemical potential {}?


Question: What is the report number for the paper submitted by Christian Stahn in the hep-th category?

In a tabular data structure, locate the cells that meet the requirements.

What is the report number for the paper submitted by {} in the {} category?


Question: Determine the aging time (h) for an alloy aged at 1024.0°C.

时效时间t (h)
时效温度T (℃)

In a tabular data structure, locate the cells that meet the requirements.

Determine the aging time (h) for an alloy aged at {}°C.


Question: Find the defective energy value for the job identifier JVASP-25104 and its Wyckoff position f.

In a tabular data structure, locate the cells that meet the requirements.

Find the defective energy value for the job identifier {} and its Wyckoff position {}.


Question: For material BeTe, surface identifier Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP, and initial atomic structure {'lattice_mat': [[8.00292141, 0.0, 0.0], [0.0, 5.65892, 0.0], [0.0, 0.0, 24.00438212]], 'coords': [[0.99999982, 0.625, 0.04167423], [0.49999991, 0.625, 0.20837134], [0.0, 0.625, 0.37506845], [0.74999996, 0.125, 0.12502279], [0.25000004, 0.125, 0.29171989], [0.75000013, 0.125, 0.458417], [0.24999987, 0.125, 0.12502279], [0.74999996, 0.125, 0.29171989], [0.25000004, 0.125, 0.458417], [0.49999991, 0.625, 0.04167423], [0.0, 0.625, 0.20837134], [0.50000009, 0.625, 0.37506845], [0.24999987, 0.375, 0.04167423], [0.74999996, 0.375, 0.20837134], [0.25000004, 0.375, 0.37506845], [0.0, 0.875, 0.12502279], [0.50000009, 0.875, 0.29171989], [1.8e-07, 0.875, 0.458417], [0.49999991, 0.875, 0.12502279], [0.0, 0.875, 0.29171989], [0.50000009, 0.875, 0.458417], [0.74999996, 0.375, 0.04167423], [0.25000004, 0.375, 0.20837134], [0.75000013, 0.375, 0.37506845]], 'elements': ['Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Be', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te', 'Te'], 'abc': [8.00292, 5.65892, 24.00438], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}, find the SCF conduction band minimum (scf_cbm).

In a tabular data structure, locate the cells that meet the requirements.

For material {}, surface identifier {}, and initial atomic structure {}, find the SCF conduction band minimum (scf_cbm).


Question: What is the methane conversion (%) for a catalyst containing M1 component Na, M2 component Eu, and Support MgO?

In a tabular data structure, locate the cells that meet the requirements.

What is the methane conversion (%) for a catalyst containing M1 component {}, M2 component {}, and Support {}?


Question: Which DFT functional was used for the material with formula TbMnSi?

In a tabular data structure, locate the cells that meet the requirements.

Which DFT functional was used for the material with formula {}?


Question: For a material with HSE decomposition energy of -0.18 eV and an electronic permittivity (Eps_elec) of 4.53, what is the PBE bandgap?

In a tabular data structure, locate the cells that meet the requirements.

For a material with HSE decomposition energy of {} eV and an electronic permittivity (Eps_elec) of {}, what is the PBE bandgap?


Question: For a Ni composition of 0.2 and Ca composition of 0.8, determine J.uAcm2_0.63_initialCA.

In a tabular data structure, locate the cells that meet the requirements.

For a Ni composition of {} and Ca composition of {}, determine J.uAcm2_0.63_initialCA.


Question: Determine the formation energy (e_form) for the material with stability (e_hull) 0.0039807824999997 and magnetic moment (mu_b) -7.829999999999999e-05.

In a tabular data structure, locate the cells that meet the requirements.

Determine the formation energy (e_form) for the material with stability (e_hull) {} and magnetic moment (mu_b) {}.


Question: What is the feature 55 value when perovskite SrCoO3 has a similarity score of 0.323249?

In a tabular data structure, locate the cells that meet the requirements.

What is the feature 55 value when perovskite {} has a similarity score of {}?


Question: Calculate the ethylene yield for a catalyst with M4 element Mn, support BaO, and CO yield 2.1%?

In a tabular data structure, locate the cells that meet the requirements.

Calculate the ethylene yield for a catalyst with M4 element {}, support {}, and CO yield {}%?


Question: Report the average maximum potential (avg_max) for surface Surface-JVASP-64917_miller_1_1_0_thickness_16_VASP_PBE_noDP composed of Be2FeW when the SCF valence band maximum (scf_vbm) is 7.36.

In a tabular data structure, locate the cells that meet the requirements.

Report the average maximum potential (avg_max) for surface {} composed of {} when the SCF valence band maximum (scf_vbm) is {}.


Question: What is the MBJ bandgap for the material with formula SrFeO3 and space group number 221?

In a tabular data structure, locate the cells that meet the requirements.

What is the MBJ bandgap for the material with formula {} and space group number {}?


Question: For the optimized molecular structure C, what is the HOMO-LUMO energy gap (gap)?

In a tabular data structure, locate the cells that meet the requirements.

For the optimized molecular structure {}, what is the HOMO-LUMO energy gap (gap)?


Question: Identify the LUMO energy value associated with a HOMO energy level of -8.881796836853027.

In a tabular data structure, locate the cells that meet the requirements.

Identify the LUMO energy value associated with a HOMO energy level of {}.


Question: What is the density (g/cm³) of the compound with the formula Dy1Zn5?

In a tabular data structure, locate the cells that meet the requirements.

What is the density (g/cm³) of the compound with the formula {}?


Question: What is the atomic radius of element A (Ra) in the material BaTi0.99Mo0.01O3?

In a tabular data structure, locate the cells that meet the requirements.

What is the atomic radius of element A (Ra) in the material {}?


Question: For the Mg-F compound with job ID JQE-10, what are the stress tensor components?

In a tabular data structure, locate the cells that meet the requirements.

For the Mg-F compound with job ID {}, what are the stress tensor components?


Question: Provide the atomic energy (atom_en) for the entry using the -5.37851 method.

In a tabular data structure, locate the cells that meet the requirements.

Provide the atomic energy (atom_en) for the entry using the {} method.


Question: Under [0.01, 0.05, 0.1, 0.5, 2.5] bar pressure, what is the absolute adsorption for an MOF with ID hMOF-16554 and void fraction 0.805618?

In a tabular data structure, locate the cells that meet the requirements.

Under {} bar pressure, what is the absolute adsorption for an MOF with ID {} and void fraction {}?


Question: What is the Gibbs free energy (G) of the molecule with the optimized structure O?

In a tabular data structure, locate the cells that meet the requirements.

What is the Gibbs free energy (G) of the molecule with the optimized structure {}?


Question: List the elements present in the material with formula Ac10(GePb)3 stored at cgat_comp_2/ternaries/A3B3C10/runs/batch-001/Ge/Ge3Pb3Ac10/xxx_02a-00_agm005668244_spg189?

In a tabular data structure, locate the cells that meet the requirements.

List the elements present in the material with formula {} stored at {}?


Question: What is the chemical formula of the material with ID 14309 and a superconducting transition temperature of 0.0?

In a tabular data structure, locate the cells that meet the requirements.

What is the chemical formula of the material with ID {} and a superconducting transition temperature of {}?


Question: What is the prototype structure identifier for the material with ID agm005572787?

In a tabular data structure, locate the cells that meet the requirements.

What is the prototype structure identifier for the material with ID {}?


Question: What is the radius of element B (Rb) for composition NaNb0.5Ta0.5O3 with a tolerance factor (t) of 0.931 and electronegativity of B (χpb) 1.55?

In a tabular data structure, locate the cells that meet the requirements.

What is the radius of element B (Rb) for composition {} with a tolerance factor (t) of {} and electronegativity of B (χpb) {}?


Question: What are the vacancy formation factors for the material with bulk energy -4.21728 and job identifier JVASP-25104?

In a tabular data structure, locate the cells that meet the requirements.

What are the vacancy formation factors for the material with bulk energy {} and job identifier {}?


Question: At what pH does a Nanowires structure catalyst from the Carbon-based  material family with doping status 0.0 operate?

In a tabular data structure, locate the cells that meet the requirements.

At what pH does a {} structure catalyst from the {} material family with doping status {} operate?


Question: What is the reaction energy (eV) for adsorbed carbon CH2* and hydrogen CH2* on surface -1?

In a tabular data structure, locate the cells that meet the requirements.

What is the reaction energy (eV) for adsorbed carbon {} and hydrogen {} on surface {}?


Question:
What comments are associated with the paper authored by Ignazio Licata and report number Published in Systemics of Emergence. Research and Development,
  Minati G., Pessa E., Abram M., Springer, 2006, pages 723-734?

In a tabular data structure, locate the cells that meet the requirements.

What comments are associated with the paper authored by {} and report number {}?


Question: What Methyl adsorption energy (CH3Ead) occurs in Composition BeO paired with Base Be?

In a tabular data structure, locate the cells that meet the requirements.

What Methyl adsorption energy (CH3Ead) occurs in Composition {} paired with Base {}?


Question: Determine the calcination temperature (CT) required for the molecular formula La0.5Bi0.2Ba0.2Mn0.1FeO3 to achieve a specific surface area of 5.91 m²/g.

Molecular formulas
SSA (m2 g -1 )
CT (℃)

In a tabular data structure, locate the cells that meet the requirements.

Determine the calcination temperature (CT) required for the molecular formula {} to achieve a specific surface area of {} m²/g.


Question: Which catalyst support material is used when the C₂ yield is 3.6%?

In a tabular data structure, locate the cells that meet the requirements.

Which catalyst support material is used when the C₂ yield is {}%?


Question: What is the bandgap (gap pbe) of the material with formula CrN and an e_hull of 0.1372651699999991?

In a tabular data structure, locate the cells that meet the requirements.

What is the bandgap (gap pbe) of the material with formula {} and an e_hull of {}?


Question: Find the LUMO energy level (eV) for the compound with species NHCHNH2.

In a tabular data structure, locate the cells that meet the requirements.

Find the LUMO energy level (eV) for the compound with species {}.


Question: Who submitted the paper titled David Callan?

A determinant of Stirling cycle numbers counts unlabeled acyclic
  single-source automata

In a tabular data structure, locate the cells that meet the requirements.


Question: Provide the ID for the material with formula BeH2 and formula_energy -0.0656403766667.

In a tabular data structure, locate the cells that meet the requirements.

Provide the ID for the material with formula {} and formula_energy {}.


Question: How many atoms are in the unit cell of the material with job ID JVASP-64906?

In a tabular data structure, locate the cells that meet the requirements.

How many atoms are in the unit cell of the material with job ID {}?


Question: For the material with ID mp-10004, what is its stability (e_hull) metric?

In a tabular data structure, locate the cells that meet the requirements.

For the material with ID {}, what is its stability (e_hull) metric?


Question: What is the RH2 value for a photocatalyst synthesized via 422.7 at Flux-growth K with a light intensity of 1273.0 W?

RH2(µmol h-1 g-1)
Preparation method
Calcination temperature(K)
Light intensity(W)

In a tabular data structure, locate the cells that meet the requirements.

What is the RH2 value for a photocatalyst synthesized via {} at {} K with a light intensity of {} W?


Question: What is the coordination number of the compound in the Crown Ether chemical family with 5.0 ligand molecules?

In a tabular data structure, locate the cells that meet the requirements.

What is the coordination number of the compound in the {} chemical family with {} ligand molecules?


Question: What reference (Ref) corresponds to a photocatalyst with molecular formula [2], calcination time of La0.85Sr0.15FeO3 h, and Eg of 10.0 eV?

Ref
Molecular formula
Calcination time(h)
Eg(eV)

In a tabular data structure, locate the cells that meet the requirements.

What reference (Ref) corresponds to a photocatalyst with molecular formula {}, calcination time of {} h, and Eg of {} eV?


Question: Determine the void fraction of the MOF with pore limiting diameter 23.75 Å.

In a tabular data structure, locate the cells that meet the requirements.

Determine the void fraction of the MOF with pore limiting diameter {} Å.


Question: Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of -19.51924514770508 and heat capacity (Cv) of 8.75100040435791.

In a tabular data structure, locate the cells that meet the requirements.

Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of {} and heat capacity (Cv) of {}.


Question: What is the CIF filename associated with structural data for compound [Pc2Tm]TBA?

In a tabular data structure, locate the cells that meet the requirements.

What is the CIF filename associated with structural data for compound {}?


Question: What is the conduction band minimum (OptB88-vdW) for a system with a final optimized energy of -109.64061114?

In a tabular data structure, locate the cells that meet the requirements.

What is the conduction band minimum (OptB88-vdW) for a system with a final optimized energy of {}?


Question: What is the DOI for the paper authored by Damian C. Swift and categorized under cond-mat.mtrl-sci?

In a tabular data structure, locate the cells that meet the requirements.

What is the DOI for the paper authored by {} and categorized under {}?


Question: What is the current density at 0.63 V (secondCA) when Mn is 0.1 and Fe is 0.9?

In a tabular data structure, locate the cells that meet the requirements.

What is the current density at 0.63 V (secondCA) when Mn is {} and Fe is {}?


Question: At what temperature (°C) was the organic compound Iopromide tested?

In a tabular data structure, locate the cells that meet the requirements.

At what temperature (°C) was the organic compound {} tested?


Question: Identify the detailed chemical formula for the material identified by mp-1176979.

In a tabular data structure, locate the cells that meet the requirements.

Identify the detailed chemical formula for the material identified by {}.


Question: Identify the perovskite with a similarity score of LaCoO3.

In a tabular data structure, locate the cells that meet the requirements.

Identify the perovskite with a similarity score of {}.


Question: If the OptB88-vdW bandgap is -0.3521999999999998, what is the valence band maximum (VBM)?

In a tabular data structure, locate the cells that meet the requirements.

If the OptB88-vdW bandgap is {}, what is the valence band maximum (VBM)?


Question: What conversion yield (C2y) is achieved when the primary metal (M1) is Li, secondary metal (M2) is Mg, and process temperature is 671°C?

In a tabular data structure, locate the cells that meet the requirements.

What conversion yield (C2y) is achieved when the primary metal (M1) is {}, secondary metal (M2) is {}, and process temperature is {}°C?


Question: What is the value recorded in feature 18 for LaCoO3 perovskite?

In a tabular data structure, locate the cells that meet the requirements.

What is the value recorded in feature 18 for {} perovskite?


Question: What magnetic ordering is reported for the compound identified by ICSD_number 300020?

In a tabular data structure, locate the cells that meet the requirements.

What magnetic ordering is reported for the compound identified by ICSD_number {}?


Question: Identify the reference identifier for a material with primary B site Ti, secondary B2 site Nb, and cycle3 performance 386.7.

In a tabular data structure, locate the cells that meet the requirements.

Identify the reference identifier for a material with primary B site {}, secondary B2 site {}, and cycle3 performance {}.


Question: For surface structure Surface-JVASP-63938_miller_1_1_0_thickness_16_VASP_PBE_noDP, what is the SCF valence band maximum (scf_vbm) if composed of BaNaBr and exhibiting a surface valence band maximum of -0.38?

In a tabular data structure, locate the cells that meet the requirements.

For surface structure {}, what is the SCF valence band maximum (scf_vbm) if composed of {} and exhibiting a surface valence band maximum of {}?


Question: Which material with elements ['Ac'] and space group 166 has the lowest energy above the convex hull?

In a tabular data structure, locate the cells that meet the requirements.

Which material with elements {} and space group {} has the lowest energy above the convex hull?


Question: What is the bandgap (gap pbe) of the material with formula CeAlO3 and an e_hull of 0.014698139?

In a tabular data structure, locate the cells that meet the requirements.

What is the bandgap (gap pbe) of the material with formula {} and an e_hull of {}?


Question: What is the specific magnetic moment (Am²/kg) for the document with doi 10.1016/j.msea.2019.02.082?

In a tabular data structure, locate the cells that meet the requirements.

What is the specific magnetic moment (Am²/kg) for the document with doi {}?


Question: Calculate the energy gap (gap) for a material with HOMO energy -6.993326187133789, LUMO energy 2.255823850631714, and ID 1.0.

In a tabular data structure, locate the cells that meet the requirements.

Calculate the energy gap (gap) for a material with HOMO energy {}, LUMO energy {}, and ID {}.


Question: Determine the electronic spillage value for the material with formula Nb2O5 and shear modulus na?

In a tabular data structure, locate the cells that meet the requirements.

Determine the electronic spillage value for the material with formula {} and shear modulus {}?


Question: Convert the Extracted Value 845 with Units K to Normalised Units.

Extracted Value
Extracted Units
Normalised Value

In a tabular data structure, locate the cells that meet the requirements.

Convert the Extracted Value {} with Units {} to Normalised Units.


Question: What is the total energy after optimization (final_energy) for a system where the OptB88-vdW bandgap is -109.64061114?

In a tabular data structure, locate the cells that meet the requirements.

What is the total energy after optimization (final_energy) for a system where the OptB88-vdW bandgap is {}?


Question: Determine the material dimensionality classification for the entry with ID JVASP-14812_Sm_a.

In a tabular data structure, locate the cells that meet the requirements.

Determine the material dimensionality classification for the entry with ID {}.


Question: Which space group symbol corresponds to space group number 54?

In a tabular data structure, locate the cells that meet the requirements.

Which space group symbol corresponds to space group number {}?


Question: How many elements are present in the compound with the formula Lu1S2?

In a tabular data structure, locate the cells that meet the requirements.

How many elements are present in the compound with the formula {}?


Question: Convert the Extracted Value ∼655 with Units K to Normalised Units.

Extracted Value
Extracted Units
Normalised Value

In a tabular data structure, locate the cells that meet the requirements.

Convert the Extracted Value {} with Units {} to Normalised Units.


Question: What is the bandgap (eV) of the material listed under reference [S18]?

In a tabular data structure, locate the cells that meet the requirements.

What is the bandgap (eV) of the material listed under reference {}?


Question: Calculate the shear modulus for the material with formula Nb4CoSi and gap pbe value of 0.0064000000000001:

In a tabular data structure, locate the cells that meet the requirements.

Calculate the shear modulus for the material with formula {} and gap pbe value of {}:


Question: If the PBE0 Scharber Voc is 1.93073228, what is the PBE0 gap?

In a tabular data structure, locate the cells that meet the requirements.

If the PBE0 Scharber Voc is {}, what is the PBE0 gap?


Question: Identify the carbon deficit percentage for resource type -13,2 at a furnace length of STD mm.

C missing(%)
Resource
furnace length(mm)

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.


Question: Which document (DOI) contains the data for sentence number 14?

In a tabular data structure, locate the cells that meet the requirements.

Which document (DOI) contains the data for sentence number {}?


Question: What chemical product is generated by the catalyst labeled Carbon Monoxide Dehydrogenase from Moorella thermoacetica?

In a tabular data structure, locate the cells that meet the requirements.

What chemical product is generated by the catalyst labeled {}?


Question: For Composition BeH, what CH4Ead value is observed when the Dope element is H?

In a tabular data structure, locate the cells that meet the requirements.

For Composition {}, what CH4Ead value is observed when the Dope element is {}?


Question: Which journal published the article with DOI 10.1016/j.electacta.2018.05.035?

In a tabular data structure, locate the cells that meet the requirements.

Which journal published the article with DOI {}?


Question: What percentage of Gold (Au) is present in an HEA with Platinum (Pt) at 18.7%, Ruthenium (Ru) at 27.5%, and Onset potential of 0.508686 V?

In a tabular data structure, locate the cells that meet the requirements.

What percentage of Gold (Au) is present in an HEA with Platinum (Pt) at {}%, Ruthenium (Ru) at {}%, and Onset potential of {} V?


Question: Provide the entry date (date) for the COD CIF file 1000030?

In a tabular data structure, locate the cells that meet the requirements.

Provide the entry date (date) for the COD CIF file {}?


Question: What is the total energy after optimization (final_energy) for a system where the OptB88-vdW bandgap is -137.42710336?

In a tabular data structure, locate the cells that meet the requirements.

What is the total energy after optimization (final_energy) for a system where the OptB88-vdW bandgap is {}?


Question: What is the indirect band gap of the compound in the '/rk2/knc6/UniveralTB/julia_data/Li_kspace/POSCAR_As_221_vnscf_vol_1' source folder with a space group number of 221 and 2 atoms?

In a tabular data structure, locate the cells that meet the requirements.

What is the indirect band gap of the compound in the {} source folder with a space group number of {} and {} atoms?


Question: At what calcination temperature (K) was a reaction solution of 423.0 used?

Calcination temperature(K)
Reaction solution

In a tabular data structure, locate the cells that meet the requirements.

At what calcination temperature (K) was a reaction solution of {} used?


Question: Determine the atomic number of element E if material volume is 68.0188498248 Å³, lattice parameter is 4.0820322165 Å, and element D is H.

In a tabular data structure, locate the cells that meet the requirements.

Determine the atomic number of element E if material volume is {} Å³, lattice parameter is {} Å, and element D is {}.


Question: What is the oxygen partial pressure (Po2) required for a process temperature of 720°C, argon partial pressure (Par) of 0.5, and data source type Literature?

In a tabular data structure, locate the cells that meet the requirements.

What is the oxygen partial pressure (Po2) required for a process temperature of {}°C, argon partial pressure (Par) of {}, and data source type {}?


Question: What is the unique entry ID for the material with bulk energy -166.64562 and formation energy 1.41749?

In a tabular data structure, locate the cells that meet the requirements.

What is the unique entry ID for the material with bulk energy {} and formation energy {}?


Question: What is the delta_e for a material with entry ID 472980.0 and a band gap of 0.0?

In a tabular data structure, locate the cells that meet the requirements.

What is the delta_e for a material with entry ID {} and a band gap of {}?


Question: Identify the tertiary element in the A site of the material composition Ba1Sr7V8O24.

In a tabular data structure, locate the cells that meet the requirements.

Identify the tertiary element in the A site of the material composition {}.


Question: What is the CH3Ead for the Composition BeLi?

In a tabular data structure, locate the cells that meet the requirements.

What is the CH3Ead for the Composition {}?


Question: For the material with ID mp-10003, what is its stability (e_hull) metric?

In a tabular data structure, locate the cells that meet the requirements.

For the material with ID {}, what is its stability (e_hull) metric?


Question: Identify materials where GGA_optical < HSE_optical by more than 1.137147 eV, while exhibiting 2.166236 magnetic state.

In a tabular data structure, locate the cells that meet the requirements.

Identify materials where GGA_optical < HSE_optical by more than {} eV, while exhibiting {} magnetic state.


Question: Determine the Primary dense phase material (Dense1) at a Germanium molar ratio (Ge) of quartz, ITQ zeolite presence (ITQ) of 1.499, and Reaction duration (Time) of no hours.

In a tabular data structure, locate the cells that meet the requirements.

Determine the Primary dense phase material (Dense1) at a Germanium molar ratio (Ge) of {}, ITQ zeolite presence (ITQ) of {}, and Reaction duration (Time) of {} hours.


Question: Report the total magnetization for the compound with ICSD ID [657422].

In a tabular data structure, locate the cells that meet the requirements.

Report the total magnetization for the compound with ICSD ID {}.


Question: Which reference (Ref) documents a hydrogen production rate of [37] µmol h-1 g-1?

In a tabular data structure, locate the cells that meet the requirements.

Which reference (Ref) documents a hydrogen production rate of {} µmol h-1 g-1?


Question: Identify the HSE decomposition energy for the material with ID Perov-9.

In a tabular data structure, locate the cells that meet the requirements.

Identify the HSE decomposition energy for the material with ID {}.


Question: What is the initial concentration (mg/L) of n-Nitrosodimethylamine tested with nanoparticle dose 2.5 g/L?

In a tabular data structure, locate the cells that meet the requirements.

What is the initial concentration (mg/L) of {} tested with nanoparticle dose {} g/L?


Question: Determine the optimal solvent percentage for Ca ion 179 mM, CO3 ion 0 mM, and stirring speed 0 rpm.

Ca ion, mM
CO3 ion, mM
Stirring, rpm
Solvent, % vol.

In a tabular data structure, locate the cells that meet the requirements.

Determine the optimal solvent percentage for Ca ion {} mM, CO3 ion {} mM, and stirring speed {} rpm.


Question: What carbonate ion (CO3) concentration occurs when bicarbonate (HCO3) is 243 mM?

In a tabular data structure, locate the cells that meet the requirements.

What carbonate ion (CO3) concentration occurs when bicarbonate (HCO3) is {} mM?


Question: What is the solution concentration recorded for the compound [Pc2Tb]TBA:[Pc2Y]TBA = 1/4?

In a tabular data structure, locate the cells that meet the requirements.

What is the solution concentration recorded for the compound {}?


Question: If the A-site oxygen property is 2.86125, B-site s-orbital unfilled range is 0, and Goldschmidt TF is 1.02182286751, what is the A_B ratio?

In a tabular data structure, locate the cells that meet the requirements.

If the A-site oxygen property is {}, B-site s-orbital unfilled range is {}, and Goldschmidt TF is {}, what is the A_B ratio?


Question: Determine the electronic contribution to the dielectric constant (diel_elec) for the material where the source is 3.13586 and the band gap energy calculated with HSE is Huan_etal:SciDat(submitted) eV.

In a tabular data structure, locate the cells that meet the requirements.

Determine the electronic contribution to the dielectric constant (diel_elec) for the material where the source is {} and the band gap energy calculated with HSE is {} eV.


Question: What is the chemical formula for the material containing the element -Cd?

In a tabular data structure, locate the cells that meet the requirements.

What is the chemical formula for the material containing the element {}?


Question: How many hours does each testing cycle last for the perovskite referenced as [A104]?

In a tabular data structure, locate the cells that meet the requirements.

How many hours does each testing cycle last for the perovskite referenced as {}?


Question: For a molecule with primary vibrational frequency (omega1) of -1.40792992183875 and Gibbs free energy (G) of 4.91457211979801, what is its optimized structure (SMILES_relaxed)?

In a tabular data structure, locate the cells that meet the requirements.

For a molecule with primary vibrational frequency (omega1) of {} and Gibbs free energy (G) of {}, what is its optimized structure (SMILES_relaxed)?


Question: Retrieve the stability metric for the material with entry ID 472985.0 and delta_e value of 0.405690829361882.

In a tabular data structure, locate the cells that meet the requirements.

Retrieve the stability metric for the material with entry ID {} and delta_e value of {}.


Question: What is the secondary element listed in the A site for material Ba2Ca6Fe8O24?

In a tabular data structure, locate the cells that meet the requirements.

What is the secondary element listed in the A site for material {}?


Question: What is the oxygen conversion percentage with a resource type of 61,3?

In a tabular data structure, locate the cells that meet the requirements.

What is the oxygen conversion percentage with a resource type of {}?


Question: What conversion yield (C2y) is achieved when the primary metal (M1) is Y, secondary metal (M2) is Ba, and process temperature is 850°C?

In a tabular data structure, locate the cells that meet the requirements.

What conversion yield (C2y) is achieved when the primary metal (M1) is {}, secondary metal (M2) is {}, and process temperature is {}°C?


Question: What is the OER warning indicator status for the article with DOI 10.1016/j.apsusc.2019.143710?

In a tabular data structure, locate the cells that meet the requirements.

What is the OER warning indicator status for the article with DOI {}?


Question: Which chemical formula has a formula_energy value of Ho?

In a tabular data structure, locate the cells that meet the requirements.

Which chemical formula has a formula_energy value of {}?


Question: Which primary metal (M1) is used with the support material Ta?

In a tabular data structure, locate the cells that meet the requirements.

Which primary metal (M1) is used with the support material {}?


Question: What overpotential (V) is required for the catalyst Ag in IL to function?

In a tabular data structure, locate the cells that meet the requirements.

What overpotential (V) is required for the catalyst {} to function?


Question: What is the largest cavity diameter of an MOF with minimum adsorption 0.0145724, void fraction 0.8533609999999999, and pressure [0.01, 0.05, 0.1, 0.5, 2.5] bar?

In a tabular data structure, locate the cells that meet the requirements.

What is the largest cavity diameter of an MOF with minimum adsorption {}, void fraction {}, and pressure {} bar?


Question: What perovskite has a value of -0.01478 in feature 17 and a similarity score of 0.304995?

In a tabular data structure, locate the cells that meet the requirements.

What perovskite has a value of {} in feature 17 and a similarity score of {}?


Question: Retrieve the stability metric for the material with entry ID 472977.0 and delta_e value of 0.143944374353451.

In a tabular data structure, locate the cells that meet the requirements.

Retrieve the stability metric for the material with entry ID {} and delta_e value of {}.


Question: What is the final energy (final_energy) for surface structure Surface-JVASP-1750_miller_1_1_0_thickness_16_VASP_PBE_noDP when composed of material ErSbPd and having a Fermi energy level of 1.88141586?

In a tabular data structure, locate the cells that meet the requirements.

What is the final energy (final_energy) for surface structure {} when composed of material {} and having a Fermi energy level of {}?


Question: Determine the space group number for the material stored at extra/batch-4000/Ac/Ac/xxx_02a-00_agm005268319_spg166?

In a tabular data structure, locate the cells that meet the requirements.

Determine the space group number for the material stored at {}?


Question: What is the band gap of the material composed of elements ['In', 'Pd', 'Pr']?

In a tabular data structure, locate the cells that meet the requirements.

What is the band gap of the material composed of elements {}?


Question: Find the ionic radius (Å) for the element with atomic number 1.9.

Atomic Radius (Å)
Ionic Radius (angstroms)

In a tabular data structure, locate the cells that meet the requirements.

Find the ionic radius (Å) for the element with atomic number {}.


Question: What is the tertiary element in the B site of a compound with a primary A site element of Ba, an anion element of O, and an energy above hull of 270.007912929 meV/atom?

A site #1
X site
energy_above_hull (meV/atom)
B site #3

In a tabular data structure, locate the cells that meet the requirements.

What is the tertiary element in the B site of a compound with a primary A site element of {}, an anion element of {}, and an energy above hull of {} meV/atom?


Question: For the optimized molecular structure C#N, what is the HOMO-LUMO energy gap (gap)?

In a tabular data structure, locate the cells that meet the requirements.

For the optimized molecular structure {}, what is the HOMO-LUMO energy gap (gap)?


Question: What is the secondary anion molar percentage when the primary cation is 22.0 and the oxygen pressure is 0.084?

In a tabular data structure, locate the cells that meet the requirements.

What is the secondary anion molar percentage when the primary cation is {} and the oxygen pressure is {}?


Question: Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of -27.18616104125977 and heat capacity (Cv) of 10.097999572753906.

In a tabular data structure, locate the cells that meet the requirements.

Provide the zero-point vibrational energy (zpve) of a material exhibiting a Gibbs free energy (G) of {} and heat capacity (Cv) of {}.


Question: Identify the formula associated with a superconducting transition temperature of 0.1.

In a tabular data structure, locate the cells that meet the requirements.

Identify the formula associated with a superconducting transition temperature of {}.


Question: What is the activation energy (eV) for element Cu on the -211 surface with adsorbed species CH*?

In a tabular data structure, locate the cells that meet the requirements.

What is the activation energy (eV) for element {} on the {} surface with adsorbed species {}?


Question: Retrieve the HOMO energy level for a material with LUMO energy of 2.58236050605774.

In a tabular data structure, locate the cells that meet the requirements.

Retrieve the HOMO energy level for a material with LUMO energy of {}.


Question: For the material with ID Perov-9, what is the tolerance factor (Tol)?

In a tabular data structure, locate the cells that meet the requirements.

For the material with ID {}, what is the tolerance factor (Tol)?


Question: What bulk modulus corresponds to a material with gap pbe 0.0 and mu_b 6.11e-05?

In a tabular data structure, locate the cells that meet the requirements.

What bulk modulus corresponds to a material with gap pbe {} and mu_b {}?


Question: Calculate the fitted band gap (egap_fit) for a material with AFLOWLIB UID 15eb51e7311e995a and Bader net charges of [-1.82, -1.82, -1.82, -1.82, -0.8514, -0.8514, -0.8514, -0.8514, -0.9428, -0.9428, -0.9428, -0.9428, 1.3561, 1.3561, 1.3561, 1.3561, 1.3125, 1.3125, 1.3125, 1.3125, 1.36, 1.36, 1.36, 1.36, 1.3644, 1.3644, 1.3644, 1.3644, -1.7787, -1.7787, -1.7787, -1.7787].

In a tabular data structure, locate the cells that meet the requirements.

Calculate the fitted band gap (egap_fit) for a material with AFLOWLIB UID {} and Bader net charges of {}.


Question: Provide the reference identifier for the perovskite compound Ca2Sb2O7 that has primary A site Ca and cycle3 measurement 7.4.

Full Name of Perovskite
A site
cycle3
Ref

In a tabular data structure, locate the cells that meet the requirements.

Provide the reference identifier for the perovskite compound {} that has primary A site {} and cycle3 measurement {}.


Question: What is the shear modulus for a material identified by ID mp-1001, which has a formation energy (e_form) of -0.7648113232533321?

In a tabular data structure, locate the cells that meet the requirements.

What is the shear modulus for a material identified by ID {}, which has a formation energy (e_form) of {}?


Question: What is the B-site oxygen property (B_O) of a material with an octahedral factor of 0.446071428571?

In a tabular data structure, locate the cells that meet the requirements.

What is the B-site oxygen property (B_O) of a material with an octahedral factor of {}?


Question: What synthesis duration is required for polymer type PEI, surfactant type Hexadecyltrimethylammonium bromide, and temperature 46 C?

Polymer type
Surfactant type
Temperature, C
Synthesis time

In a tabular data structure, locate the cells that meet the requirements.

What synthesis duration is required for polymer type {}, surfactant type {}, and temperature {} C?


Question: What is the prototype structure identifier for the material with ID agm003157159?

In a tabular data structure, locate the cells that meet the requirements.

What is the prototype structure identifier for the material with ID {}?


Question: Given PBE and HSE bandgaps of 1.05 eV and 1.9 eV, what is the refractive index (Ref_ind) of the material?

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?


Question: What is the HOMO energy level (eV) of the compound with the chemical formula H2OCH3OH?

In a tabular data structure, locate the cells that meet the requirements.

What is the HOMO energy level (eV) of the compound with the chemical formula {}?


Question: How much Nickel (%) is required to achieve a gamma prime size of 79.9 nm with aging time 5.77h and aging temperature 0.25°C?

Ni
γ＇相尺寸 (nm)
时效时间t (h)
时效温度T (℃)

In a tabular data structure, locate the cells that meet the requirements.

How much Nickel (%) is required to achieve a gamma prime size of {} nm with aging time {}h and aging temperature {}°C?


Question: Which substitution anion X1 accompanies primary element B Ta and surface area 9.5 m²/g?

In a tabular data structure, locate the cells that meet the requirements.

Which substitution anion X1 accompanies primary element B {} and surface area {} m²/g?


Question: What desorption temperature (DT) corresponds to the molecular formula LaMg0.2Cr0.8O3?

In a tabular data structure, locate the cells that meet the requirements.

What desorption temperature (DT) corresponds to the molecular formula {}?


Question: If the OptB88-vdW VBM is 6.4261 and the alignment offset is 0.8230729226123605, what is the conduction band minimum (CBM)?

In a tabular data structure, locate the cells that meet the requirements.

If the OptB88-vdW VBM is {} and the alignment offset is {}, what is the conduction band minimum (CBM)?


Question: Find the HSE band gap energy (hse_gap) for the material with ID 5.5798.

In a tabular data structure, locate the cells that meet the requirements.

Find the HSE band gap energy (hse_gap) for the material with ID {}.


Question: Determine the similarity score for the perovskite compound LaCrO3.

In a tabular data structure, locate the cells that meet the requirements.

Determine the similarity score for the perovskite compound {}.


Question: What formation energy (e_form) does the material Al(CoSi)2 have if its elastic anisotropy is 0.2662496610371878?

In a tabular data structure, locate the cells that meet the requirements.

What formation energy (e_form) does the material {} have if its elastic anisotropy is {}?


Question: Find the total dielectric constant (diel_tot) of the entry with the unique identifier 9.89731 and processed using the 766 method.

In a tabular data structure, locate the cells that meet the requirements.

Find the total dielectric constant (diel_tot) of the entry with the unique identifier {} and processed using the {} method.


Question: Find the internal energy (U) for a sample that has a statistical correlation coefficient (R²) of -4.17298880451383 and a heat capacity (Cv) of -6.29834488537368.

In a tabular data structure, locate the cells that meet the requirements.

Find the internal energy (U) for a sample that has a statistical correlation coefficient (R²) of {} and a heat capacity (Cv) of {}.


Question: Identify the material ID linked to a total energy per atom of -5.516883573333334.

In a tabular data structure, locate the cells that meet the requirements.

Identify the material ID linked to a total energy per atom of {}.


Question: What is the formation energy for the compound formula Ba2La6Cr8O24?

In a tabular data structure, locate the cells that meet the requirements.

What is the formation energy for the compound formula {}?


Question: Which catalyst support material is used when the C₂ yield is 1.8%?

In a tabular data structure, locate the cells that meet the requirements.

Which catalyst support material is used when the C₂ yield is {}%?


Question: What reaction type is associated with the catalyst with metal ratio Ni:Fe=2:3?

In a tabular data structure, locate the cells that meet the requirements.

What reaction type is associated with the catalyst with metal ratio {}?


Question: Find the Platinum (Pt) content in the HEA alloy where Gold (Au) is 30.4%, and Onset potential is 0.508686 V.

In a tabular data structure, locate the cells that meet the requirements.

Find the Platinum (Pt) content in the HEA alloy where Gold (Au) is {}%, and Onset potential is {} V.


Question: What is the magnetic moment (from OSZICAR) for the material with space group number 54?

In a tabular data structure, locate the cells that meet the requirements.

What is the magnetic moment (from OSZICAR) for the material with space group number {}?


Question: What is the HM symbol for the compound with the abbreviation Gd2Pt4?

In a tabular data structure, locate the cells that meet the requirements.

What is the HM symbol for the compound with the abbreviation {}?


Question: What is the radius of element B (Rb) for composition Sr0.9La0.1Ti0.9Cr0.1O3 with a tolerance factor (t) of 0.879 and electronegativity of B (χpb) 1.55?

In a tabular data structure, locate the cells that meet the requirements.

What is the radius of element B (Rb) for composition {} with a tolerance factor (t) of {} and electronegativity of B (χpb) {}?


Question: What is the abstract of the paper titled From dyadic $\Lambda_{\alpha}$ to $\Lambda_{\alpha}$, submitted by Alberto Torchinsky?

Abstract:
  In this paper we show how to compute the $\Lambda_{\alpha}$ norm, $\alpha\ge
0$, using the dyadic grid. This result is a consequence of the description of
the Hardy spaces $H^p(R^N)$ in terms of dyadic and special atoms.

In a tabular data structure, locate the cells that meet the requirements.

What is the abstract of the paper titled {}, submitted by {}?


Question: Which space group is assigned to the material with the chemical formula TiO4?

In a tabular data structure, locate the cells that meet the requirements.

Which space group is assigned to the material with the chemical formula {}?


Question: What is the band gap of materials with a thermodynamic stability metric of 0.22691826560345?

In a tabular data structure, locate the cells that meet the requirements.

What is the band gap of materials with a thermodynamic stability metric of {}?


Question: Determine the similarity score for the perovskite compound BaRuO3.

In a tabular data structure, locate the cells that meet the requirements.

Determine the similarity score for the perovskite compound {}.


Question: What perovskite corresponds to a similarity score of LaNiO3?

In a tabular data structure, locate the cells that meet the requirements.

What perovskite corresponds to a similarity score of {}?


Question: What is the cycle1 measurement for perovskites with primary A site H, secondary B2 site Nb, and cycle duration of 3.0 hours?

A site
B2 site
Duration of cycles (h)
cycle1

In a tabular data structure, locate the cells that meet the requirements.

What is the cycle1 measurement for perovskites with primary A site {}, secondary B2 site {}, and cycle duration of {} hours?


Question: What is the electronic dielectric constant (diel_elec) for the material with label 3.12844 and unit cell volume Cd-based_polymer cubic angstroms?

In a tabular data structure, locate the cells that meet the requirements.

What is the electronic dielectric constant (diel_elec) for the material with label {} and unit cell volume {} cubic angstroms?


Question: Determine the formation energy (e_form) for the material with stability (e_hull) 0.1074050600000005 and magnetic moment (mu_b) -2.7000000000000004e-06.

In a tabular data structure, locate the cells that meet the requirements.

Determine the formation energy (e_form) for the material with stability (e_hull) {} and magnetic moment (mu_b) {}.


Question: What is the oxygen conversion percentage with a resource type of 72,1?

In a tabular data structure, locate the cells that meet the requirements.

What is the oxygen conversion percentage with a resource type of {}?


Question: What is the C2 production yield at a methane conversion percentage of 18,8%?

In a tabular data structure, locate the cells that meet the requirements.

What is the C2 production yield at a methane conversion percentage of {}%?


Question: What is the maximum elastic tensor component for materials with functional OptB88vdW and space group number 113?

In a tabular data structure, locate the cells that meet the requirements.

What is the maximum elastic tensor component for materials with functional {} and space group number {}?


Question: Determine the CO2 yield percentage for M1 element 11,3 and support material Na at a furnace length of SiO2 mm.

CO2 yield(%)
M1
Support
furnace length(mm)

In a tabular data structure, locate the cells that meet the requirements.

Determine the CO2 yield percentage for M1 element {} and support material {} at a furnace length of {} mm.


Question: In which year range was the compound [Pc2Yb]TBA studied?

In a tabular data structure, locate the cells that meet the requirements.

In which year range was the compound {} studied?


Question: What is the weight percentage of metal loading in the catalyst titled "NiCo(9:1)/Al2O3Active"?

NiCo(9:1)/Al2O3Active

In a tabular data structure, locate the cells that meet the requirements.

What is the weight percentage of metal loading in the catalyst titled "{}"?


Question: What is the electron affinity of element A (EAa) when composition SrSnO3 has a bandgap (Eg) of 4.01 eV and density of A (ρa) is 2.64?

In a tabular data structure, locate the cells that meet the requirements.

What is the electron affinity of element A (EAa) when composition {} has a bandgap (Eg) of {} eV and density of A (ρa) is {}?


Question: Find the feature 20 value associated with SrIrO3 perovskite.

In a tabular data structure, locate the cells that meet the requirements.

Find the feature 20 value associated with {} perovskite.


Question: Report the surface conduction band minimum (surf_cbm) of surface structure Surface-JVASP-1699_miller_1_1_0_thickness_16_VASP_PBE_noDP.

In a tabular data structure, locate the cells that meet the requirements.

Report the surface conduction band minimum (surf_cbm) of surface structure {}.


Question: What is the unique identifier for the material composed of Re0.1W0.9 and exhibiting a Tc of 0.0?

In a tabular data structure, locate the cells that meet the requirements.

What is the unique identifier for the material composed of {} and exhibiting a Tc of {}?


Question: What is the secondary metal component (M2) for catalysts with primary metal atom count (M1_atom_number) of 25, support identifier (Support_ID) 4, and CO2 selectivity (CO2s) of 5.0?

In a tabular data structure, locate the cells that meet the requirements.

What is the secondary metal component (M2) for catalysts with primary metal atom count (M1_atom_number) of {}, support identifier (Support_ID) {}, and CO2 selectivity (CO2s) of {}?


Question: Given a valence band maximum (VBM) of 5.0019 and a band alignment offset of -0.1592672289933379, what is the OptB88-vdW bandgap?

In a tabular data structure, locate the cells that meet the requirements.

Given a valence band maximum (VBM) of {} and a band alignment offset of {}, what is the OptB88-vdW bandgap?


Question: How many distinct elements are in the material with composition Ba2Gd6Fe8O24?

In a tabular data structure, locate the cells that meet the requirements.

How many distinct elements are in the material with composition {}?


Question: Find the total dielectric constant (diel_tot) of the entry with the unique identifier 6.87059 and processed using the 657 method.

In a tabular data structure, locate the cells that meet the requirements.

Find the total dielectric constant (diel_tot) of the entry with the unique identifier {} and processed using the {} method.


Question: Given a valence band maximum (VBM) of 6.1195 and a band alignment offset of 0.5978046988467991, what is the OptB88-vdW bandgap?

In a tabular data structure, locate the cells that meet the requirements.

Given a valence band maximum (VBM) of {} and a band alignment offset of {}, what is the OptB88-vdW bandgap?


Question: What substrate(s) are used in the reaction catalyzed by "12,7%NiPt(1:1)/Al2O3Active" titled catalyst?

12,7%NiPt(1:1)/Al2O3Active

In a tabular data structure, locate the cells that meet the requirements.

What substrate(s) are used in the reaction catalyzed by "{}" titled catalyst?


Question: What is the density of element B (ρb) for materials with RH2 = 325.4 µmol h-1 g-1 and molar mass (M) = 211.88 g/mol?

In a tabular data structure, locate the cells that meet the requirements.

What is the density of element B (ρb) for materials with RH2 = {} µmol h-1 g-1 and molar mass (M) = {} g/mol?


Question: For a material with HSE decomposition energy of 0.53 eV and an electronic permittivity (Eps_elec) of 5.1, what is the PBE bandgap?

In a tabular data structure, locate the cells that meet the requirements.

For a material with HSE decomposition energy of {} eV and an electronic permittivity (Eps_elec) of {}, what is the PBE bandgap?


Question: Find the HSE band gap energy (hse_gap) of the material classified as 4.2168 processed using the SnF2-based_polymer method.

In a tabular data structure, locate the cells that meet the requirements.

Find the HSE band gap energy (hse_gap) of the material classified as {} processed using the {} method.


Question: What Illumination time(min) is needed for 94.0% degradation of MB at pH 7.0?

Degradation rate(%)
Pollutant
pH
Illumination time(min)

In a tabular data structure, locate the cells that meet the requirements.

What Illumination time(min) is needed for {}% degradation of {} at pH {}?


Question: What is the optimal methane partial pressure (Pch4) when using tertiary metal (M3) none with support material Mn at a temperature of 845°C?

In a tabular data structure, locate the cells that meet the requirements.

What is the optimal methane partial pressure (Pch4) when using tertiary metal (M3) {} with support material {} at a temperature of {}°C?


Question: Determine the HOMO energy level (eV) for the compound named 5 with InChI identifier InChI=1S/CH4O3/c2-1-4-5-3/h1H,3H2.

In a tabular data structure, locate the cells that meet the requirements.

Determine the HOMO energy level (eV) for the compound named {} with InChI identifier {}.


Question: What is the CSM value reported for the molecular symmetry of compound [Pc2Yb]TBA?

In a tabular data structure, locate the cells that meet the requirements.

What is the CSM value reported for the molecular symmetry of compound {}?


Question: Where is the file stored for the material with prototype structure identifier AB4C10_73_spg87?

In a tabular data structure, locate the cells that meet the requirements.

Where is the file stored for the material with prototype structure identifier {}?


Question: If BP86 Scharber PCE is 2.018237167 and M06 Scharber Voc is 1.6314070505, what is the entry’s PBE0 HOMO?

In a tabular data structure, locate the cells that meet the requirements.

If BP86 Scharber PCE is {} and M06 Scharber Voc is {}, what is the entry’s PBE0 HOMO?


Question: What are the vacancy formation factors for the material with bulk energy -327.13856 and job identifier JVASP-922?

In a tabular data structure, locate the cells that meet the requirements.

What are the vacancy formation factors for the material with bulk energy {} and job identifier {}?


Question: If the A-site oxygen property is 2.8225, B-site s-orbital unfilled range is 0, and Goldschmidt TF is 0.981223643018, what is the A_B ratio?

In a tabular data structure, locate the cells that meet the requirements.

If the A-site oxygen property is {}, B-site s-orbital unfilled range is {}, and Goldschmidt TF is {}, what is the A_B ratio?


Question: What is the chemical formula of the compound with job ID JQE-207?

In a tabular data structure, locate the cells that meet the requirements.

What is the chemical formula of the compound with job ID {}?


Question: What is the volume (cubic angstroms) of the compound with the formula Ga2Os1?

In a tabular data structure, locate the cells that meet the requirements.

What is the volume (cubic angstroms) of the compound with the formula {}?


Question: Find the Pauling electronegativity of element B (χpb) in La0.925Sr0.075Fe0.925Ti0.075O3.

In a tabular data structure, locate the cells that meet the requirements.

Find the Pauling electronegativity of element B (χpb) in {}.


Question: Specify the formation energy (e_form) of the material with formula RbYbS2:

In a tabular data structure, locate the cells that meet the requirements.

Specify the formation energy (e_form) of the material with formula {}:


Question: What is the elastic anisotropy value for the material identified as CeAlO3 by formula?

In a tabular data structure, locate the cells that meet the requirements.

What is the elastic anisotropy value for the material identified as {} by formula?


Question: Identify materials where GGA_optical < HSE_optical by more than 4.818411 eV, while exhibiting 5.968427 magnetic state.

In a tabular data structure, locate the cells that meet the requirements.

Identify materials where GGA_optical < HSE_optical by more than {} eV, while exhibiting {} magnetic state.


Question: Determine the superconducting transition temperature of the material with ID 6607 and formula Ni2.5Cu1.5Zr8.

In a tabular data structure, locate the cells that meet the requirements.

Determine the superconducting transition temperature of the material with ID {} and formula {}.


Question: Find the magnetic moment (mu_b) for the material with ID mp-10013, elastic anisotropy 14.004436456547142, and stability (e_hull) 0.2802868175000004.

In a tabular data structure, locate the cells that meet the requirements.

Find the magnetic moment (mu_b) for the material with ID {}, elastic anisotropy {}, and stability (e_hull) {}.


Question: What is the mean number of bonds (num_bonds_mean_0) associated with SMILES C(CCN1CCOCCOCCOCCOCCOCC1)CN1CCOCCOCCOCCOCCOCC1?

In a tabular data structure, locate the cells that meet the requirements.

What is the mean number of bonds (num_bonds_mean_0) associated with SMILES {}?


Question: What is the electronic permittivity (Eps_elec) recorded for the perovskite material Perov-4?

In a tabular data structure, locate the cells that meet the requirements.

What is the electronic permittivity (Eps_elec) recorded for the perovskite material {}?


Question: How much HCO3 ion is required for polymer PEG with 0.3 wt.% and solvent type Ethylene glycol to minimize synthesis time?

Polymer type
Polymer, % wt.
Solvent type
HCO3 ion, mM

In a tabular data structure, locate the cells that meet the requirements.

How much HCO3 ion is required for polymer {} with {} wt.% and solvent type {} to minimize synthesis time?


Question: For a system with valence band maximum (VBM) of 4.7106, what is the OptB88-vdW calculated bandgap?

In a tabular data structure, locate the cells that meet the requirements.

For a system with valence band maximum (VBM) of {}, what is the OptB88-vdW calculated bandgap?


Question: Find the ID linked to the formula_energy value 218.

In a tabular data structure, locate the cells that meet the requirements.

Find the ID linked to the formula_energy value {}.


Question: What is the indirect band gap energy (eV) of the material located at extra/batch-001/Ac/Ac/xxx_02a-00_agm003157159_spg225?

In a tabular data structure, locate the cells that meet the requirements.

What is the indirect band gap energy (eV) of the material located at {}?


Question: What is the ID of the superconducting material with formula B2Th1 and Tc 0.0?

In a tabular data structure, locate the cells that meet the requirements.

What is the ID of the superconducting material with formula {} and Tc {}?


Question: Determine the journal impact factor for an article published by the institution Qinghai Normal Univ in Peoples R China country.

In a tabular data structure, locate the cells that meet the requirements.

Determine the journal impact factor for an article published by the institution {} in {} country.


Question: What is the OptB88vdW bandgap of the material with job ID JVASP-90856 and Poisson ratio of na?

In a tabular data structure, locate the cells that meet the requirements.

What is the OptB88vdW bandgap of the material with job ID {} and Poisson ratio of {}?


Question: What process temperature (°C) corresponds to a conversion yield (C2y) of 831%?

In a tabular data structure, locate the cells that meet the requirements.

What process temperature (°C) corresponds to a conversion yield (C2y) of {}%?


Question: Find the internal energy at 0K (U0) for the material with dipole moment 0.0, polarizability 13.210000038146973, and ID 0.0.

In a tabular data structure, locate the cells that meet the requirements.

Find the internal energy at 0K (U0) for the material with dipole moment {}, polarizability {}, and ID {}.


Question: Identify the detailed chemical formula for the material identified by mp-1175065.

In a tabular data structure, locate the cells that meet the requirements.

Identify the detailed chemical formula for the material identified by {}.


Question: What is the formation energy of the material with bulk formula Cl?

In a tabular data structure, locate the cells that meet the requirements.

What is the formation energy of the material with bulk formula {}?


Question: What CH3Ead is recorded for Dope He in the presence of Base Be?

In a tabular data structure, locate the cells that meet the requirements.

What CH3Ead is recorded for Dope {} in the presence of Base {}?


Question: What is the tertiary cation identifier when the preparation is 3.0 and the contact duration is 3.44?

In a tabular data structure, locate the cells that meet the requirements.

What is the tertiary cation identifier when the preparation is {} and the contact duration is {}?