Question: Identify the formula associated with a superconducting transition temperature of 1.09.

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

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


Question: Report the delta_e value for materials exhibiting a band gap of 5.709.

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

Report the delta_e value for materials exhibiting a band gap of {}.


Question: Find the energy per atom of the material with the source identifier mp-23309.

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

Find the energy per atom of the material with the source identifier {}.


Question: What is the initial concentration (mg/L) of n-Nitrosodimethylamine tested with nanoparticle dose 2.0 g/L?

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: What is the formation energy per atom of the material identified by jid JVASP-98225?

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

What is the formation energy per atom of the material identified by jid {}?


Question: What is the Methane adsorption energy (CH4Ead) when the Composition is BeHe and Dope is He?

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

What is the Methane adsorption energy (CH4Ead) when the Composition is {} and Dope is {}?


Question: Report the Tc for the material identified by 8629.

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

Report the Tc for the material identified by {}.


Question: Provide the GGA band gap energy (gga_gap) for the material labeled 2.554 with a unit cell volume of NH-C6H4-NH-O cubic angstroms.

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: What is the electronic dielectric constant (diel_elec) for the material with label 3.55557 and unit cell volume NH-C6H4-NH-O cubic angstroms?

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: What is the formation energy value associated with the unique job identifier JVASP-14603?

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: What is the overpotential in acidic conditions for an article published by Tianjin Univ (Facility) in the journal MATERIALS TODAY ENERGY?

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

What is the overpotential in acidic conditions for an article published by {} (Facility) in the journal {}?


Question: What is the Tc of the superconducting material identified by 6607 and formula Ni2.5Cu1.5Zr8?

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 is the dipole moment (mu) for the material with identifier 5.0?

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

What is the dipole moment (mu) for the material with identifier {}?


Question: What is the secondary A2 site cation in the perovskite compound SrIn0.5Nb0.5O3, which has a cycle5 performance of -?

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

What is the secondary A2 site cation in the perovskite compound {}, which has a cycle5 performance of {}?


Question: Which organic compound required a light intensity of 0.176 mW/cm² and pH 3.6 to achieve -log(k) 0.6302?

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

Which organic compound required a light intensity of {} mW/cm² and pH {} to achieve -log(k) {}?


Question:
Which subject category is assigned to the paper titled The Spitzer c2d Survey of Large, Nearby, Insterstellar Clouds. IX. The
  Serpens YSO Population As Observed With IRAC and MIPS?

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

Which subject category is assigned to the paper titled {}?


Question: What is the atomic number of element C when element A is 0, Bn is 1, and the formation energy is -0.08 eV?

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

What is the atomic number of element C when element A is {}, Bn is {}, and the formation energy is {} eV?


Question: Given the sample ID 2, what is its statistical correlation coefficient (R²)?

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

Given the sample ID {}, what is its statistical correlation coefficient (R²)?


Question: What is the ionic contribution to the Goldschmidt tolerance factor when the total tolerance factor is 0.909000715884?

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

What is the ionic contribution to the Goldschmidt tolerance factor when the total tolerance factor is {}?


Question: For Job ID cc-0, what is the crystal structure lattice matrix data (atoms)?

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

For Job ID {}, what is the crystal structure lattice matrix data (atoms)?


Question: Provide the chemical potential value for bulk formula Mn with Wyckoff position a.

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

Provide the chemical potential value for bulk formula {} with Wyckoff position {}.


Question: Report the source identifier for the material where the bandgap is 2.9398.

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

Report the source identifier for the material where the bandgap is {}.


Question: For material BaNaBr, surface identifier Surface-JVASP-63938_miller_1_1_0_thickness_16_VASP_PBE_noDP, and initial atomic structure {'lattice_mat': [[11.57031755, 0.0, 0.0], [0.0, 8.18145, 0.0], [0.0, 0.0, 23.57031755]], 'coords': [[0.2916666, 0.41666667, 0.18408194], [0.7916665, 0.41666667, 0.42952446], [0.54166676, 0.91666667, 0.06136068], [0.04166666, 0.91666667, 0.3068032], [0.04166666, 0.91666667, 0.06136068], [0.54166655, 0.91666667, 0.3068032], [0.79166671, 0.41666667, 0.18408194], [0.2916666, 0.41666667, 0.42952446], [0.54166676, 0.66666667, 0.18408194], [0.04166666, 0.66666667, 0.42952446], [0.79166671, 0.16666667, 0.06136068], [0.2916666, 0.16666667, 0.3068032], [0.29166682, 0.16666667, 0.06136068], [0.79166671, 0.16666667, 0.3068032], [0.04166666, 0.66666667, 0.18408194], [0.54166655, 0.66666667, 0.42952446], [0.29166682, 0.66666667, 0.06136068], [0.79166671, 0.66666667, 0.3068032], [0.04166666, 0.16666667, 0.18408194], [0.54166655, 0.16666667, 0.42952446], [0.54166676, 0.16666667, 0.18408194], [0.04166666, 0.16666667, 0.42952446], [0.79166671, 0.66666667, 0.06136068], [0.2916666, 0.66666667, 0.3068032]], 'elements': ['Ba', 'Ba', 'Ba', 'Ba', 'Ba', 'Ba', 'Ba', 'Ba', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Br', 'Br', 'Br', 'Br', 'Br', 'Br', 'Br', 'Br'], 'abc': [11.57032, 8.18145, 23.57032], 'angles': [90.0, 90.0, 90.0], 'cartesian': False, 'props': ['', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '', '']}, find the SCF conduction band minimum (scf_cbm).

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: State the topology classification for the compound referenced under DOI https://doi.org/10.1021/acs.cgd.6b01295.

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

State the topology classification for the compound referenced under DOI {}.


Question: What is the Methane adsorption energy (CH4Ead) when the Composition is BeNe and Dope is Ne?

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

What is the Methane adsorption energy (CH4Ead) when the Composition is {} and Dope is {}?


Question: What is the zero-point vibrational energy (ZPVE) of a molecule with SMILES notation CO and an enthalpy (H) of 5.328265494185?

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

What is the zero-point vibrational energy (ZPVE) of a molecule with SMILES notation {} and an enthalpy (H) of {}?


Question: At what process temperature (°C) is the methane partial pressure (Pch4) 0.93?

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

At what process temperature (°C) is the methane partial pressure (Pch4) {}?


Question: What is the numerical identifier (name) of the compound with Job ID cc-10 and InChI identifier InChI=1S/CH4Se/c1-2/h2H,1H3?

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

What is the numerical identifier (name) of the compound with Job ID {} and InChI identifier {}?


Question: Determine the Reaction energy (ReactionE) for a material with Base Be and Dope C.

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

Determine the Reaction energy (ReactionE) for a material with Base {} and Dope {}.


Question: For a system with a final energy of -94.22629209 and a band alignment offset of 0.1705275340169199, what is the valence band maximum (VBM)?

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

For a system with a final energy of {} and a band alignment offset of {}, what is the valence band maximum (VBM)?


Question: What PBE0 method details describe an entry with a HOMO-LUMO gap of 0.074?

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

What PBE0 method details describe an entry with a HOMO-LUMO gap of {}?


Question: Calculate the Methane adsorption energy (CH4Ead) for the Base Be combined with Dope Ne.

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

Calculate the Methane adsorption energy (CH4Ead) for the Base {} combined with Dope {}.


Question: What is the reference number (Ref.) for the perovskite oxide La0.5Bi0.2Ba0.2Mn0.1FeO3 synthesized via method 3 at 900℃?

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

What is the reference number (Ref.) for the perovskite oxide {} synthesized via method {} at {}℃?


Question: Determine the thermodynamic stability for materials with a band gap energy of 0.369.

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

Determine the thermodynamic stability for materials with a band gap energy of {}.


Question: Which parsed authors correspond to papers in astro-ph category published in Astrophys.J.663:1149-1173,2007 journal?

[['Harvey', 'Paul', ''], ['Merin', 'Bruno', ''], ['Huard', 'Tracy L.', ''], ['Rebull', 'Luisa M.', ''], ['Chapman', 'Nicholas', ''], ['Evans', 'Neal J.', 'II'], ['Myers', 'Philip C.', '']]

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

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


Question: What is the spectrolimited efficiency (SLME) for materials with spg_symbol P312 and job identifier JVASP-76309?

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

What is the spectrolimited efficiency (SLME) for materials with spg_symbol {} and job identifier {}?


Question: What is the reference number for the experiment testing n-Nitrosodimethylamine with nanoparticle dose 0.5 g/L?

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 bicarbonate (HCO3) ion concentration results from Ca ion 154 mM, solvent type Propylene glycol, and synthesis time 40 min 9 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: Given the optimized structure C#N (SMILES_relaxed) and a Gibbs free energy (G) of 6.14002915286456, what is its primary vibrational frequency (omega1)?

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

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


Question:
Which subject category is assigned to the paper titled Numerical solution of shock and ramp compression for general material
  properties?

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

Which subject category is assigned to the paper titled {}?


Question: Reveal the bulk modulus (Kv) of the material with formula CoH2SeO4 and functional OptB88vdW?

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

Reveal the bulk modulus (Kv) of the material with formula {} and functional {}?


Question: What is the formula_energy value associated with material ID 1917?

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

What is the formula_energy value associated with material ID {}?


Question: What is the cycle2 performance for a perovskite with secondary A2 site La, secondary B2 site Cr, and cycle duration 2.5 hours?

A2 site
B2 site
Duration of cycles (h)
cycle2

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

What is the cycle2 performance for a perovskite with secondary A2 site {}, secondary B2 site {}, and cycle duration {} hours?


Question: Which solvent type is paired with a surfactant percentage of 0.425 wt.%?

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

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


Question: What is the total energy after optimization for a system with an OptB88-vdW bandgap of -109.64061114 and a conduction band minimum (CBM) of -0.1169999999999999?

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

What is the total energy after optimization for a system with an OptB88-vdW bandgap of {} and a conduction band minimum (CBM) of {}?


Question: What is the ionic octahedral stability ratio (octahedral_factor_ionic) for a material with EnergyAboveHull of 94.5062097102 and 0 unfilled d-orbital electrons?

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

What is the ionic octahedral stability ratio (octahedral_factor_ionic) for a material with EnergyAboveHull of {} and {} unfilled d-orbital electrons?


Question: Which reference ID documents the elastic tensor properties of material Ti2N in space group P4_2/mnm?

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

Which reference ID documents the elastic tensor properties of material {} in space group {}?


Question: Identify the atomic energy (atom_en) for the material sourced from -4.80599 with a total dielectric constant of Huan_etal:SciDat(submitted).

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

Identify the atomic energy (atom_en) for the material sourced from {} with a total dielectric constant of {}.


Question: Report the job identifier for the bulk formula Cl with defect energy -2.98530497.

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

Report the job identifier for the bulk formula {} with defect energy {}.


Question: What is the shear modulus of a material with elastic anisotropy 0.2662496610371878 and formula Al(CoSi)2?

elastic anisotropy
formula
shear modulus

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

What is the shear modulus of a material with elastic anisotropy {} and formula {}?


Question: What is the numerical identifier (name) for the compound with Job Identifier cc-7?

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

What is the numerical identifier (name) for the compound with Job Identifier {}?


Question: What are the elastic properties of the material composed of ['Ni', 'Tm'] with a density of 9.882065394130745?

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

What are the elastic properties of the material composed of {} with a density of {}?


Question: For Job ID cc-10, what is the crystal structure lattice matrix data (atoms)?

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

For Job ID {}, what is the crystal structure lattice matrix data (atoms)?


Question: Which Dope element is used in the Composition BeN?

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

Which Dope element is used in the Composition {}?


Question: Determine the COₓ selectivity at a methane partial pressure of 0.48.

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

Determine the COₓ selectivity at a methane partial pressure of {}.


Question: Find the partial pressure of argon (Par) when the methane partial pressure (Pch4) is 0.13, oxygen partial pressure (Po2) is 0.07, and temperature is 750°C.

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

Find the partial pressure of argon (Par) when the methane partial pressure (Pch4) is {}, oxygen partial pressure (Po2) is {}, and temperature is {}°C.


Question: What is the bulk energy value for the material with job identifier JVASP-943?

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: What is the band gap of the material composed of elements ['I', 'Pt', 'Y']?

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

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


Question:
What is the abstract of the paper titled A determinant of Stirling cycle numbers counts unlabeled acyclic
  single-source automata, submitted by David Callan?

Abstract:
  We show that a determinant of Stirling cycle numbers counts unlabeled acyclic
single-source automata. The proof involves a bijection from these automata to
certain marked lattice paths and a sign-reversing involution to evaluate the
determinant.

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

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


Question: What is the Eg(eV) value for a photocatalyst calcined at 2.6 K?

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

What is the Eg(eV) value for a photocatalyst calcined at {} K?


Question: What is the reaction energy (eV) for adsorbed carbon * and hydrogen CO on surface -110?

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: Provide the ID for the material with formula K2O3Si and formula_energy -2.66534476833.

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

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


Question: What is the Kramers status of the lanthanide ion in the compound with formula [Tb(SiW11O39)2]13- and CIF filename 4301917.cif?

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

What is the Kramers status of the lanthanide ion in the compound with formula {} and CIF filename {}?


Question: What is the overpotential in acidic conditions for an article published by Guangdong Univ Technol (Facility) in the journal ACS SUSTAINABLE CHEMISTRY & ENGINEERING?

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

What is the overpotential in acidic conditions for an article published by {} (Facility) in the journal {}?


Question: What is the secondary B2 site cation in the perovskite referenced as [A85]?

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

What is the secondary B2 site cation in the perovskite referenced as {}?


Question: Determine the band alignment offset for a system with a final optimized energy of -137.42710336.

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

Determine the band alignment offset for a system with a final optimized energy of {}.


Question: Which space group does the SNUMAT_id SM-16973 material adopt after structural relaxation?

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

Which space group does the SNUMAT_id {} material adopt after structural relaxation?


Question: What is the Yield (μmol/g/h) for a Bi type of BiVO4, light source of UV, and reaction medium of gas-solid?

Bi type in photocatalyst
light source
Reaction medium
Yield (μmol/g/h)

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

What is the Yield (μmol/g/h) for a Bi type of {}, light source of {}, and reaction medium of {}?


Question: What is the electron affinity of element B (EAb) when its first ionization energy (I1b) is 7.536?

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: What is the entry ID of a material with delta_e 0.22691826560345 and band gap 0.0?

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

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


Question: What is the Methane adsorption energy (CH4Ead) when the Composition is BeN and Dope is N?

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

What is the Methane adsorption energy (CH4Ead) when the Composition is {} and Dope is {}?


Question: What is the reaction rate constant logarithm (-log(k)) for Sulfisoxazole at light intensity 1.51 mW/cm²?

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

What is the reaction rate constant logarithm (-log(k)) for {} at light intensity {} mW/cm²?


Question: What is the PBE decomposition energy for the perovskite material identified by Perov-1?

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

What is the PBE decomposition energy for the perovskite material identified by {}?


Question: What is the R-factor observed (Robs) for the COD file 1000033?

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

What is the R-factor observed (Robs) for the COD file {}?


Question: What is the ethylene yield percentage when M1 is 1,7, M2 is none, and support material is none?

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

What is the ethylene yield percentage when M1 is {}, M2 is {}, and support material is {}?


Question: Which authors contributed to the paper titled Y. H. Pong and C. K. Law?

Bosonic characters of atomic Cooper pairs across resonance

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

Which authors contributed to the paper titled {}?


Question: Determine the journal impact factor for an article published by the institution Sichuan Univ Sci & Engn in Peoples R China country.

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 reference (Ref) corresponds to a photocatalyst with molecular formula [2], calcination time of La0.8875Sr0.1125Fe0.9625Ti0.0375O3 h, and Eg of 10.0 eV?

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: Which journal published the article with DOI 10.1021/acs.iecr.9b00209?

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

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

Which journal published the article with DOI {}?


Question: What is the atomic radius of element B (Rb) in materials where the first ionization energy of A (I1a) is 6.013 kJ/mol and the molar mass (M) is 209.37 g/mol?

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

What is the atomic radius of element B (Rb) in materials where the first ionization energy of A (I1a) is {} kJ/mol and the molar mass (M) is {} g/mol?


Question: Which Dope element is used in the Composition BeLi?

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

Which Dope element is used in the Composition {}?


Question: Report the total magnetization for the compound with ICSD ID [160213].

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

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


Question: What is the spectrolimited efficiency (SLME) for materials with spg_symbol P4/nmm and job identifier JVASP-6667?

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

What is the spectrolimited efficiency (SLME) for materials with spg_symbol {} and job identifier {}?


Question: Calculate the energy gap (gap) for a material with HOMO energy -7.741639137268066, LUMO energy 1.3768961429595947, and ID 3.0.

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: What desorption temperature (DT) corresponds to the molecular formula LaMg0.4Cr0.6O3?

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

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


Question: Which source database contains the material with pore limiting diameter 1.1857 Å?

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

Which source database contains the material with pore limiting diameter {} Å?


Question: Provide the ID for the material with formula Fe3W2 and formula_energy -0.1084102642.

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

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


Question: If feature 45 is SrIrO3, which perovskite compound matches this value?

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

If feature 45 is {}, which perovskite compound matches this value?


Question: Which catalyst support material is used when the C₂ yield is 2.0%?

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

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


Question: Under a temperature of 800.0°C, what is the M1 element if the support is BaO and CO2 yield is 3.2%?

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

Under a temperature of {}°C, what is the M1 element if the support is {} and CO2 yield is {}%?


Question: How many elements does a material with energy above hull of 1.3344706112499995 contain?

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

How many elements does a material with energy above hull of {} contain?


Question: What is the melting temperature of component A (A_Tm) for the material Sr0.9La0.1Ti0.9Cr0.1O3?

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

What is the melting temperature of component A (A_Tm) for the material {}?


Question: What is the chemical family classification for the compound with the formula [Pc2Dy]TBA:[Pc2Y]TBA = 1/50?

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

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

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


Question: Determine the post-simulation atomic structure (final_atoms) for surface material B.

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

Determine the post-simulation atomic structure (final_atoms) for surface material {}.


Question: What is the lattice parameter a for the COD CIF file 1000006?

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

What is the lattice parameter a for the COD CIF file {}?


Question: Which organic compound required a light intensity of 0.176 mW/cm² and pH 3.6 to achieve -log(k) 0.406?

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

Which organic compound required a light intensity of {} mW/cm² and pH {} to achieve -log(k) {}?


Question: What is the melting temperature of component B (B_Tm) when element B’s density (ρb) is 13.27, boiling temperature (B_Tb) is 5172.4, and electron affinity (EAb) is 53.14?

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 is the electronic band gap energy value for the material with database entry ID 472983.0?

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

What is the electronic band gap energy value for the material with database entry ID {}?


Question: Which source database contains the material with pore limiting diameter 2.36128 Å?

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

Which source database contains the material with pore limiting diameter {} Å?


Question: What is the C₂ yield (%) for a CH4/O2 ratio of 4.0 with Support Al2O3 and PAr 0.4 atm?

CH4/O2 (mol/mol)
Support
PAr (atm)
C2 yield (%)

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

What is the C₂ yield (%) for a CH4/O2 ratio of {} with Support {} and PAr {} atm?


Question: What is the electronic permittivity (Eps_elec) of the perovskite with a HSE bandgap of 2.64 eV and a PBE decomposition energy of 0.04 eV?

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

What is the electronic permittivity (Eps_elec) of the perovskite with a HSE bandgap of {} eV and a PBE decomposition energy of {} eV?


Question: Determine the similarity score for the perovskite compound LaCoO3.

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

Determine the similarity score for the perovskite compound {}.


Question: What is the bulk energy value for the material with job identifier JVASP-25273?

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: What band alignment offset occurs when the OptB88-vdW bandgap is -0.1169999999999999?

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

What band alignment offset occurs when the OptB88-vdW bandgap is {}?


Question: What is the bulk modulus value for the material As, identified by its formula?

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

What is the bulk modulus value for the material {}, identified by its formula?


Question: What is the weight metal loading for a catalyst titled "9,3%NiPt(3:1)/Al2O3Active" using CO2,H2 as substrates?

9,3%NiPt(3:1)/Al2O3Active

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

What is the weight metal loading for a catalyst titled "{}" using {} as substrates?


Question: How much Nickel (%) is required to achieve a gamma prime size of 80.6 nm with aging time 1.27h and aging temperature 4.0°C?

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: What is the dipole moment (mu) for the material with identifier 2.0?

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

What is the dipole moment (mu) for the material with identifier {}?


Question: Find the atomic radius ratio (Ra/Rb) where tolerance factor (t) = 0.89 and EAa = 41.505 eV.

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

Find the atomic radius ratio (Ra/Rb) where tolerance factor (t) = {} and EAa = {} eV.


Question: What C₂ selectivity (%) is achieved at 900.0℃ with a total flow rate of 15.0 mL/min and CH4/O2 ratio of 2.0?

Temp. (℃)
Total flow (mL/min)
CH4/O2 (mol/mol)
C2 selectivity (%)

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

What C₂ selectivity (%) is achieved at {}℃ with a total flow rate of {} mL/min and CH4/O2 ratio of {}?


Question: How long was the illumination time (min) for a degradation efficiency of 100%?

Illumination time (min)
Degradation efficiency (%)

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

How long was the illumination time (min) for a degradation efficiency of {}%?


Question: What is the OptB88vdW bandgap for the material with formula DyB6?

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

What is the OptB88vdW bandgap for the material with formula {}?


Question:
In which journal was the paper submitted by Hongjun Pan with the title The evolution of the Earth-Moon system based on the dark matter field
  fluid model published?

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

In which journal was the paper submitted by {} with the title {} published?


Question: Determine the boiling temperature of component A (A_Tb) if the melting temperatures of A (A_Tm) and B (B_Tm) are 675.65 and 1670.0, respectively, with a radius ratio (Ra/Rb) of 1.863.

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: What is the stress tensor for the compound in the monoclinic crystal system, with a space group symbol of C2/m and formula AsF2?

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

What is the stress tensor for the compound in the {} crystal system, with a space group symbol of {} and formula {}?


Question:
What are the parsed author components for The Spitzer c2d Survey of Large, Nearby, Insterstellar Clouds. IX. The
  Serpens YSO Population As Observed With IRAC and MIPS?

[['Harvey', 'Paul', ''], ['Merin', 'Bruno', ''], ['Huard', 'Tracy L.', ''], ['Rebull', 'Luisa M.', ''], ['Chapman', 'Nicholas', ''], ['Evans', 'Neal J.', 'II'], ['Myers', 'Philip C.', '']]

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

What are the parsed author components for {}?


Question: What is the elastic anisotropy value for the material identified as RbYbS2 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: What is the volume (cubic angstroms) of the compound with the formula Ag1Cu4Sm1?

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: Which reference (Ref) documents a hydrogen production rate of [26] 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 net magnetic moment for the material with chemical formula Ag2C32H28N10O10.

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

Identify the net magnetic moment for the material with chemical formula {}.


Question: What is the crystal structure lattice matrix data (atoms) of the compound with numerical identifier 5 and species HCOOHH2O?

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

What is the crystal structure lattice matrix data (atoms) of the compound with numerical identifier {} and species {}?


Question: What is the boiling temperature of element A (A_Tb) in the material La0.8875Sr0.1125Fe0.9625Ti0.0375O3?

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

What is the boiling temperature of element A (A_Tb) in the material {}?


Question: What is the final energy (final_energy) for surface structure Surface-JVASP-1372_miller_1_1_0_thickness_16_VASP_PBE_noDP when composed of material AlAs and having a Fermi energy level of -0.9288966?

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: Which journal published the article with DOI 10.1039/c7nr00460e?

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

Which journal published the article with DOI {}?


Question: What is the HSE-calculated bandgap for the material with a PBE lattice constant of 6.42 Å and a tolerance factor of 0.912?

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 maximum CO₂ adsorption capacity for the MOF with ID hMOF-31783?

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

What is the maximum CO₂ adsorption capacity for the MOF with ID {}?


Question: Identify the organic compound degraded at pH 7.0, temperature 20°C, and dose 0.5 g/L.

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

Identify the organic compound degraded at pH {}, temperature {}°C, and dose {} g/L.


Question: What is the bulk modulus value for the material Nb4CoSi, identified by its formula?

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

What is the bulk modulus value for the material {}, identified by its formula?


Question: What degradation efficiency (%) was achieved for material MIL-101 at pH 6.3 with an illumination time of 20 minutes?

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

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

What degradation efficiency (%) was achieved for material {} at pH {} with an illumination time of {} minutes?


Question: Determine the superconducting transition temperature of the material with ID 7 and formula Re0.1W0.9.

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: What is the direct bandgap energy (eV) for a composition with A_AtomN 83, B element He, and Cn value 1?

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

What is the direct bandgap energy (eV) for a composition with A_AtomN {}, B element {}, and Cn value {}?


Question: Find the aging temperature (°C) needed for a gamma prime size of 800.0 nm, solution time of 10.0h, and 12.0% Cobalt.

时效温度T (℃)
γ＇相尺寸 (nm)
固溶时间t (h)
Co

时效温度T (℃)
γ＇相尺寸 (nm)
固溶时间t (h)

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

Find the aging temperature (°C) needed for a gamma prime size of {} nm, solution time of {}h, and {}% Cobalt.


Question: For a catalyst with M3 element W, M4 (wt%) 0.0%, and CH4 conversion 11.6%, determine the ethylene yield.

M3
M4 (wt%)
CH4 Conv. (%)
C2H4 yield (%)

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

For a catalyst with M3 element {}, M4 (wt%) {}%, and CH4 conversion {}%, determine the ethylene yield.


Question: How many ligands are bonded to the lanthanide in the compound [Pc2Dy]TBA:[Pc2Y]TBA = 1/4?

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

How many ligands are bonded to the lanthanide in the compound {}?


Question: What conversion yield (C2y) is achieved when the primary metal (M1) is Li, secondary metal (M2) is Mg, and process temperature is 824°C?

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 comments are associated with the paper authored by Alejandro Corichi, Tatjana Vukasinac and Jose A. Zapata and report number IGPG-07/03-2?

16 pages, no figures. Typos corrected to match published version

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 is the ID of the material containing formula MoS2 and having formula_energy -0.95401032496?

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

What is the ID of the material containing formula {} and having formula_energy {}?


Question: Find the energy above hull (meV/atom) for the compound with material composition Ba2Cd2Pr4Ni8O24.

Material Composition
energy_above_hull (meV/atom)

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

Find the energy above hull (meV/atom) for the compound with material composition {}.


Question: What surface area (m²/g) corresponds to primary element A Co and substitution element A1 Sr?

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

What surface area (m²/g) corresponds to primary element A {} and substitution element A1 {}?


Question: What is the tolerance factor (t) of a material with a radius ratio (Ra/Rb) of 1.863?

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

What is the tolerance factor (t) of a material with a radius ratio (Ra/Rb) of {}?


Question: What is the Gibbs free energy (G) of a material with dipole moment 1.625599980354309 and polarizability 9.460000038146973?

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

What is the Gibbs free energy (G) of a material with dipole moment {} and polarizability {}?


Question: What is the Methyl adsorption energy (CH3Ead) of a system combining Base Be and Dope Be?

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

What is the Methyl adsorption energy (CH3Ead) of a system combining Base {} and Dope {}?


Question: What is the boiling temperature of component B (B_Tb) for the material Sr2/3Zn1/3TiO3?

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

What is the boiling temperature of component B (B_Tb) for the material {}?


Question: Determine the Framework Density 1 parameter (FD1) for a study where the Molar Ratio 1 (MR1) is 13.7.

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

Determine the Framework Density 1 parameter (FD1) for a study where the Molar Ratio 1 (MR1) is {}.


Question: What is the chemical formula of the material with ID 4010 and a superconducting transition temperature of 24.6?

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 band alignment offset if the OptB88-vdW bandgap is -1.4471999999999996 and the conduction band minimum (CBM) is 8.6359?

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

What is the band alignment offset if the OptB88-vdW bandgap is {} and the conduction band minimum (CBM) is {}?


Question: At what process temperature (°C) does a catalyst with M1 as Na, support material Mn, and methane partial pressure (Pch4) of 0.51 yield the highest conversion?

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: Determine the HOMO energy level (eV) for the compound named 10 with InChI identifier InChI=1S/CH4Se/c1-2/h2H,1H3.

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 reactor volume (mL) corresponds to experiments with a total product yield of 0.1637777777777777 mmol/g?

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

What reactor volume (mL) corresponds to experiments with a total product yield of {} mmol/g?


Question:
In which journal was the paper submitted by Pavel Nadolsky with the title Calculation of prompt diphoton production cross sections at Tevatron and
  LHC energies published?

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

In which journal was the paper submitted by {} with the title {} published?


Question: What reactor volume (mL) corresponds to experiments with a total product yield of 0.182625 mmol/g?

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

What reactor volume (mL) corresponds to experiments with a total product yield of {} mmol/g?


Question: What is the electronic spatial extent (r2) for a material with dipole moment of 2.1089000701904297?

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

What is the electronic spatial extent (r2) for a material with dipole moment of {}?


Question: What optical band gap value does HSE calculation show for SNUMAT_id SM-3507?

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

What optical band gap value does HSE calculation show for SNUMAT_id {}?


Question: What is the maximum CO₂ adsorption capacity for the MOF with ID hMOF-5073430?

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

What is the maximum CO₂ adsorption capacity for the MOF with ID {}?


Question: Find the total dielectric constant (diel_tot) of the entry with the unique identifier 4.33252 and processed using the 352 method.

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: What is the source (src) of the entry where the electronic dielectric contribution (diel_elec) is Mannodi-Kanakkithodi_etal:SciRep.inpress(2016) and the atomic energy is 3.51116?

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

What is the source (src) of the entry where the electronic dielectric contribution (diel_elec) is {} and the atomic energy is {}?


Question: Calculate the delta_e for a material with band gap 0.0 and stability 0.35674995435345.

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

Calculate the delta_e for a material with band gap {} and stability {}.


Question: What is the CO₂ adsorption pressure (bar) for an MOF with absolute adsorption of [0.00979751, 0.047517899999999995, 0.0901371, 0.449706, 2.09167]?

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

What is the CO₂ adsorption pressure (bar) for an MOF with absolute adsorption of {}?


Question: Which primary element B is present in compounds with a molar ratio of A as 0.267?

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

Which primary element B is present in compounds with a molar ratio of A as {}?


Question: Find the current density at 0.63 V (secondCA) for a material with In set to 0.5 and Fe set to 0.5.

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

Find the current density at 0.63 V (secondCA) for a material with In set to {} and Fe set to {}.


Question: What is the entry ID of a material with delta_e 0.143944374353451 and band gap 0.0?

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

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


Question: Find the ionic radius (Å) for the element with atomic number 0.32.

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 melting temperature of element B (B_Tm) in the material La0.8875Sr0.1125Fe0.9625Ti0.0375O3?

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

What is the melting temperature of element B (B_Tm) in the material {}?


Question: Provide the modulus of elasticity (10³ Mpa) for the element with atomic radius 0.73 Å.

Atomic Radius (Å)
Modulus of Elasticity 10³ Mpa

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

Provide the modulus of elasticity (10³ Mpa) for the element with atomic radius {} Å.


Question: What is the exfoliation energy per atom for the material with source identifier mp-22856?

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

What is the exfoliation energy per atom for the material with source identifier {}?


Question: How many elements does a material with energy above hull of 0.1994506199189789 contain?

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

How many elements does a material with energy above hull of {} contain?


Question: Determine the ID for the material whose formula is Ca0.31Sr0.7Ti1O3.

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

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


Question: What is the standard deviation of inertial shape factor (inertial_shape_factor_std_0) for SMILES C(CCN1CCOCCOCCOCCOCCOCC1)CN1CCOCCOCCOCCOCCOCC1?

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

What is the standard deviation of inertial shape factor (inertial_shape_factor_std_0) for SMILES {}?


Question: What is the radius ratio (Ra/Rb) for the material composition Sr0.9La0.1Ti0.9Cr0.1O3?

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

What is the radius ratio (Ra/Rb) for the material composition {}?


Question: Which reference (Ref.) corresponds to the perovskite oxide LaCrO3 aged for 5 hours with desorption at 100℃?

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

Which reference (Ref.) corresponds to the perovskite oxide {} aged for {} hours with desorption at {}℃?


Question: For the compound with space group number 10 and energy per atom of -1182.1867, what is its chemical formula?

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

For the compound with space group number {} and energy per atom of {}, what is its chemical formula?


Question: Determine the superconducting transition temperature of the material with ID 3687 and formula Ca0.31Sr0.7Ti1O3.

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: Report the value in feature 33 for LaCrO3 perovskite.

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

Report the value in feature 33 for {} perovskite.


Question: What is the formula of the material assigned ID 7?

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

What is the formula of the material assigned ID {}?


Question: What is the energy per atom for the material with material ID 2dm-7 and exfoliation energy per atom of 0.07163021333333308?

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

What is the energy per atom for the material with material ID {} and exfoliation energy per atom of {}?


Question: Identify the carbon deficit percentage for resource type 0,5 at a furnace length of STD mm.

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: If BP86 Scharber PCE is 2.58181645782 and M06 Scharber Voc is 1.9035208955, 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: For a catalyst with M3 element W, M4 (wt%) 0.0%, and CH4 conversion 14.9%, determine the ethylene yield.

M3
M4 (wt%)
CH4 Conv. (%)
C2H4 yield (%)

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

For a catalyst with M3 element {}, M4 (wt%) {}%, and CH4 conversion {}%, determine the ethylene yield.


Question: Given PBE and HSE bandgaps of 2.55 eV and 3.84 eV, what is the refractive index (Ref_ind) of the material?

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: Determine the similarity score for SrCoO3 perovskite with feature 45 set to 0.000668.

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

Determine the similarity score for {} perovskite with feature 45 set to {}.


Question: For a material that has a refractive index of 2.78 and a PBE mixing energy of 0.0 eV, what is the HSE mixing energy?

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

For a material that has a refractive index of {} and a PBE mixing energy of {} eV, what is the HSE mixing energy?


Question: At a valence band maximum (VBM) of 6.1195, what is the corresponding band alignment offset?

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

At a valence band maximum (VBM) of {}, what is the corresponding band alignment offset?


Question: Which database contains the compound abbreviation Rh4Sr2?

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

Which database contains the compound abbreviation {}?


Question: Determine the electronic polarizability (alpha) for a sample identified by 5 with a HOMO-LUMO gap of 2.70289805057916.

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: Find the count of E atoms if element E has an atomic number of 8, the indirect bandgap is 0.0 eV, and the volume is 73.6686200925 Å³.

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

Find the count of E atoms if element E has an atomic number of {}, the indirect bandgap is {} eV, and the volume is {} Å³.


Question: What is the GGA optical band gap value for materials in space group 64 with FM magnetic ordering?

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

What is the GGA optical band gap value for materials in space group {} with {} magnetic ordering?


Question: What is the product of the reaction catalyzed by OD-Cu - In material with multiphase 0.0 and electric field 0.0?

Material
Multiphase
Electric field
Product

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

What is the product of the reaction catalyzed by {} material with multiphase {} and electric field {}?


Question: What is the last update date for the paper by parsed authors [['Corichi', 'Alejandro', ''], ['Vukasinac', 'Tatjana', ''], ['Zapata', 'Jose A.', '']] in gr-qc category?

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

What is the last update date for the paper by parsed authors {} in {} category?


Question: What pH level was used for Sulfamethoxazole when the light intensity was 2.9 mW/cm² and temperature 21°C?

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

What pH level was used for {} when the light intensity was {} mW/cm² and temperature {}°C?


Question: What is the C2 production yield at a methane conversion percentage of 17,6%?

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: At which methane-to-oxygen molar ratio is the C₂ selectivity 27.7%?

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

At which methane-to-oxygen molar ratio is the C₂ selectivity {}%?


Question: What is the BP86 Scharber PCE if the BP86 HOMO is -0.162, LUMO is -0.126, and gap is 0.036?

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

What is the BP86 Scharber PCE if the BP86 HOMO is {}, LUMO is {}, and gap is {}?


Question: What is the activation energy (eV) for element Pt on the -111 surface with adsorbed species CH*?

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: Provide the slope in CSM analysis for the compound [(LOEt)Ho((R,R)-5-Cl-Salcy)]· CH3OH·1/8H2O within the 1100.0 sub-family.

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

Provide the slope in CSM analysis for the compound {} within the {} sub-family.


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

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: Find the entry ID(s) of materials with an energy difference from stability of 0.35674995435345.

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

Find the entry ID(s) of materials with an energy difference from stability of {}.


Question: Provide the entry ID for a material that has a stability metric of 0.226107440851378 and band gap of 0.0.

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

Provide the entry ID for a material that has a stability metric of {} and band gap of {}.


Question: Determine the ionic contribution to the dielectric constant (diel_ion) where the source is 3.73473 and the GGA band gap energy is Huan_etal:SciDat(submitted) eV.

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

Determine the ionic contribution to the dielectric constant (diel_ion) where the source is {} and the GGA band gap energy is {} eV.


Question: Which space group symbol corresponds to space group number 90?

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

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


Question: What is the unit cell formula of the material with a density of 3.501149800046778?

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

What is the unit cell formula of the material with a density of {}?


Question: Determine the DFT functional used for the material with job ID JVASP-14014 and formation energy per atom of -0.45468 eV.

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

Determine the DFT functional used for the material with job ID {} and formation energy per atom of {} eV.


Question: What is the direct band gap energy (eV) for the material identified by agm005671431?

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

What is the direct band gap energy (eV) for the material identified by {}?


Question: Identify the total calculated energy for the compound stored in folder '/rk2/knc6/UniveralTB/julia_data/Mg_F_kspace/POSCAR_distort_vnscf_vol_3', having 4 atoms and an indirect band gap of 0.0?

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

Identify the total calculated energy for the compound stored in folder {}, having {} atoms and an indirect band gap of {}?


Question: What license type governs the distribution of Polymer Quantum Mechanics and its Continuum Limit?

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

What license type governs the distribution of {}?


Question: How much elastic anisotropy does the material with the formula Hf2S exhibit?

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

How much elastic anisotropy does the material with the formula {} exhibit?


Question: What is the C2 production yield at a methane conversion percentage of 18,6%?

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 license type governs the distribution of Sparsity-certifying Graph Decompositions?

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

What license type governs the distribution of {}?


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

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

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


Question: If the A-site oxygen property is 2.695, B-site s-orbital unfilled range is 0, and Goldschmidt TF is 0.987384857667, what is the A_B ratio?

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 energy difference from thermodynamic stability for the material with entry ID 472983.0?

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

What is the energy difference from thermodynamic stability for the material with entry ID {}?


Question: What is the HM symbol for the compound with the abbreviation Lu3?

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 radiation wavelength used in the structure determination of file 1000006?

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

What is the radiation wavelength used in the structure determination of file {}?


Question: What is the measured numerical value for the composition ThFe_11C_1.5?

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

What is the measured numerical value for the composition {}?


Question: If a perovskite’s similarity score is 0.28946, what is the value of feature 24 if feature 7 is 0.036582?

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

If a perovskite’s similarity score is {}, what is the value of feature 24 if feature 7 is {}?


Question: Calculate the conduction band minimum (surf_cbm) for material ThSbRh and surface Surface-JVASP-1699_miller_1_1_0_thickness_16_VASP_PBE_noDP when the average maximum potential is 3.8725956694557992.

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

Calculate the conduction band minimum (surf_cbm) for material {} and surface {} when the average maximum potential is {}.


Question: For the material with net magnetic moment 80.0 and source CSD, provide its DOI.

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

For the material with net magnetic moment {} and source {}, provide its DOI.


Question: Determine the optimal solvent percentage for Ca ion 295 mM, CO3 ion 260 mM, and stirring speed 0 rpm.

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 is the CH4/O2 molar ratio required for 32.1% methane conversion at a temperature of 900.0℃ 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: Identify the unit cell volume (Å³) for a material with element D as H, lattice parameter 4.1920602095 Å, and En value 2.

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

Identify the unit cell volume (Å³) for a material with element D as {}, lattice parameter {} Å, and En value {}.


Question: What is the tertiary metal (M3) in the catalyst with primary metal Zn and methane conversion efficiency of 19.24849384%?

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

What is the tertiary metal (M3) in the catalyst with primary metal {} and methane conversion efficiency of {}%?


Question: Which space group number (sgNumber) corresponds to the file identifier 1000031?

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

Which space group number (sgNumber) corresponds to the file identifier {}?


Question: For the Mg-F compound with job ID JQE-209, what are the stress tensor components?

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: Determine the reaction temperature needed for a catalyst with primary cation 22.0 and secondary anion 0.0 to achieve a C₂ selectivity abbreviation of 44.1.

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

Determine the reaction temperature needed for a catalyst with primary cation {} and secondary anion {} to achieve a C₂ selectivity abbreviation of {}.


Question: Reveal the bulk modulus (Kv) of the material with formula InS and functional OptB88vdW?

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

Reveal the bulk modulus (Kv) of the material with formula {} and functional {}?


Question: What entry ID has a BP86 Scharber Jsc of 288.755697568, a BP86 HOMO of -0.173, and an M06 gap of 0.135?

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

What entry ID has a BP86 Scharber Jsc of {}, a BP86 HOMO of {}, and an M06 gap of {}?


Question: What is the bulk modulus (Voigt average) recorded under job ID JLMP-1107?

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

What is the bulk modulus (Voigt average) recorded under job ID {}?


Question: Find the surface valence band maximum (surf_vbm) for the material ErSbPd.

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

Find the surface valence band maximum (surf_vbm) for the material {}.


Question: What is the CO₂ adsorption pressure (bar) for an MOF with absolute adsorption of [0.012105, 0.0494431, 0.206808, 0.8691749999999999, 2.87034]?

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

What is the CO₂ adsorption pressure (bar) for an MOF with absolute adsorption of {}?


Question: Which material’s Tc matches the value 0.1? Provide its formula.

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

Which material’s Tc matches the value {}? Provide its formula.


Question: What is the product of the reaction catalyzed by OD-Cu+ Sn material with multiphase 0.0 and electric field 0.0?

Material
Multiphase
Electric field
Product

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

What is the product of the reaction catalyzed by {} material with multiphase {} and electric field {}?


Question: What is the chemical formula for the crystal structure stored in file 1000039?

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

What is the chemical formula for the crystal structure stored in file {}?


Question: What is the unique identifier for the material composed of Pr0.91La1Ce0.09Cu1O4 and exhibiting a Tc of 24.6?

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: Determine the bandgap of the material associated with material ID 2dm-10.

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

Determine the bandgap of the material associated with material ID {}.


Question: At what pH does material MIL-101 achieve 70.0% degradation efficiency with illumination time 15 minutes?

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 polarizability (alpha) for a material that has dipole moment 0.0 and Gibbs free energy -15.862632751464844?

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

What is the polarizability (alpha) for a material that has dipole moment {} and Gibbs free energy {}?


Question: Find the bandgap value for the material with a material ID of 2dm-1 and exfoliation energy per atom of 0.23461665999999992.

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

Find the bandgap value for the material with a material ID of {} and exfoliation energy per atom of {}.


Question: What is the entry ID of a material with delta_e -0.0561393731465509 and band gap 0.0?

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

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


Question: Determine the lattice parameter (Å) when the unit cell volume is 68.0188498248, element E has an atomic number of 8, and Dn is 0?

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

Determine the lattice parameter (Å) when the unit cell volume is {}, element E has an atomic number of {}, and Dn is {}?


Question: Find the Wyckoff position notation for the chemical element symbol Hg in material entry JVASP-25273_Hg_a.

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

Find the Wyckoff position notation for the chemical element symbol {} in material entry {}.


Question: Which preparation method (PM) yields a desorption temperature of 110℃ and SSA of 19.0 m²/g?

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

Which preparation method (PM) yields a desorption temperature of {}℃ and SSA of {} m²/g?


Question: What is the chemical potential value recorded for the entry ID JVASP-867_Cu_a?

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

What is the chemical potential value recorded for the entry ID {}?


Question: Which perovskite compound has a value of 0.002394 in feature 30 and a similarity score of 0.28946?

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

Which perovskite compound has a value of {} in feature 30 and a similarity score of {}?


Question: What is the solution concentration recorded for the compound [Pc2Tb]TBA?

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

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


Question: Determine the publication year for compounds with a CSM value of 0.167 and axial distortion of 1.035098.

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

Determine the publication year for compounds with a CSM value of {} and axial distortion of {}.


Question: What is the Fermi energy level of the surface structure Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP?

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

What is the Fermi energy level of the surface structure {}?


Question: What is the primary material of the catalyst labeled Carbon Monoxide Dehydrogenase from Carboxydothermus hydrogenoformans?

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 unique identifier (id) of a material with formula SnS, shear modulus -4.318653419191119, and elastic anisotropy 14.004436456547142?

formula
shear modulus
elastic anisotropy
id

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

What is the unique identifier (id) of a material with formula {}, shear modulus {}, and elastic anisotropy {}?


Question: What is the exfoliation energy per atom for the material with source identifier mp-23309?

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

What is the exfoliation energy per atom for the material with source identifier {}?


Question: Given the optimized structure O (SMILES_relaxed) and a Gibbs free energy (G) of 6.53867256157596, what is its primary vibrational frequency (omega1)?

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

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


Question: Find the mean OSDA axis 1 (axes_mean_0) for the SMILES C(CCCC[N+]12CCC(CC1)CC2)CCC[N+]12CCC(CC1)CC2.

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

Find the mean OSDA axis 1 (axes_mean_0) for the SMILES {}.


Question:
What journal was the paper titled Numerical solution of shock and ramp compression for general material
  properties published in?

Journal of Applied Physics, vol 104, 073536 (2008)

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

What journal was the paper titled {} published in?


Question: What initial concentration (mg/L) of Phenol correlates with reference 1.0?

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

What initial concentration (mg/L) of {} correlates with reference {}?


Question: What is the ionic dielectric contribution (diel_ion) for the entry with atomic energy 3.73473 and label -5.60422?

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

What is the ionic dielectric contribution (diel_ion) for the entry with atomic energy {} and label {}?


Question: What comments are associated with the paper authored by Paolo Di Vecchia and report number NORDITA-2007-13?

Latex 60 pages, 2 figures, uses svmult.cls. Contribution to the
  volume "String theory and fundamental interactions", dedicated to Gabriele
  Veneziano on his 65th birthday.

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: Which bulk formula corresponds to job identifier JVASP-14604 after achieving chemical potential 0.32495403?

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

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


Question: Given a valence band maximum (VBM) of 3.9299 and a band alignment offset of 0.1705275340169199, determine the total optimized energy.

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: What polymer weight percentage corresponds to a Ca ion concentration of 249 mM?

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

What polymer weight percentage corresponds to a Ca ion concentration of {} mM?


Question: Determine the mean Bertz complexity index for the molecule with SMILES C(CCC[N+]12CCC(CC1)CC2)CC[N+]12CCC(CC1)CC2.

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

Determine the mean Bertz complexity index for the molecule with SMILES {}.


Question: Which perovskite material has a value of SrCoO3 in feature 10?

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

Which perovskite material has a value of {} in feature 10?


Question: Which space group does the material with Materials Project ID mp-11279 belong to?

{'symprec': 0.1, 'source': 'spglib', 'symbol': 'Pm-3m', 'number': 221, 'point_group': 'm-3m', 'crystal_system': 'cubic', 'hall': '-P 4 2 3'}

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

Which space group does the material with Materials Project ID {} belong to?


Question: What is the exfoliation energy per atom for the material with source identifier mp-1115?

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

What is the exfoliation energy per atom for the material with source identifier {}?


Question: What is the surface area (m²/g) of the MOF identified by ID hMOF-23232?

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

What is the surface area (m²/g) of the MOF identified by ID {}?


Question: What is the bulk modulus (Voigt average) for materials containing -Pd when using the PdAgH_HybridPd3Ag.eam.alloy potential?

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

What is the bulk modulus (Voigt average) for materials containing {} when using the {} potential?


Question: Determine the atomic number of element E if material volume is 64.4121955981 Å³, lattice parameter is 4.0085690381 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: Determine the post-simulation atomic structure (final_atoms) for surface material BeTe.

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

Determine the post-simulation atomic structure (final_atoms) for surface material {}.


Question: What is the oxygen conversion percentage with a resource type of 21,1?

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

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


Question: Identify materials where GGA_optical < HSE_optical by more than 2.266085 eV, while exhibiting 3.294992 magnetic state.

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: What is the unique entry ID for the material with bulk energy -4.21728 and formation energy 1.10018?

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 polarizability (alpha) for a material that has dipole moment 0.7156000137329102 and Gibbs free energy -27.37781143188477?

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

What is the polarizability (alpha) for a material that has dipole moment {} and Gibbs free energy {}?


Question: Determine the thermodynamic stability for materials with a band gap energy of 0.595000000000001.

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

Determine the thermodynamic stability for materials with a band gap energy of {}.


Question: What is the bulk modulus (Voigt average) recorded under job ID JLMP-100?

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

What is the bulk modulus (Voigt average) recorded under job ID {}?


Question: Find the ionic radius (Å) for the element with atomic number 0.91.

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: How many atoms are present in the Mg-F compound with the job identifier JQE-209?

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 Digital Object Identifier (DOI) for Bosonic characters of atomic Cooper pairs across resonance?

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

What is the Digital Object Identifier (DOI) for {}?


Question: What is the ethylene yield percentage when M1 is 11,8, M2 is Na, and support material is Mn?

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

What is the ethylene yield percentage when M1 is {}, M2 is {}, and support material is {}?


Question: Which authors contributed to the paper titled Ileana Streinu and Louis Theran?

Sparsity-certifying Graph Decompositions

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

Which authors contributed to the paper titled {}?


Question: What is the formation energy per atom for the material with chemical composition TiBr3?

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

What is the formation energy per atom for the material with chemical composition {}?


Question: Find the value of feature 40 for a perovskite with similarity 0.318801 and feature 10 set to 0.016905.

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

Find the value of feature 40 for a perovskite with similarity {} and feature 10 set to {}.


Question: What is the feature 55 value when perovskite SrFeO3 has a similarity score of 0.288779?

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: What is the space group symbol for the material with job ID JVASP-14014?

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

What is the space group symbol for the material with job ID {}?


Question: Find the energy per atom of the material with the source identifier mp-620029.

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

Find the energy per atom of the material with the source identifier {}.


Question: What is the energy gap (gap) for the material identified by 7.0?

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

What is the energy gap (gap) for the material identified by {}?


Question: For adsorbed species CO* and hydrogen species CO, what is the reaction energy (eV) on surface -110?

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

For adsorbed species {} and hydrogen species {}, what is the reaction energy (eV) on surface {}?


Question: What is the Gibbs free energy (G) of a material with dipole moment 0.7156000137329102 and polarizability 28.780000686645508?

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

What is the Gibbs free energy (G) of a material with dipole moment {} and polarizability {}?


Question: What La concentration occurs when Y is 0.0 and J.uAcm2_0.80_fromCV is 911.356?

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

What La concentration occurs when Y is {} and J.uAcm2_0.80_fromCV is {}?


Question: Provide the GGA band gap energy (gga_gap) for the material labeled 3.639 with a unit cell volume of Cd-based_polymer cubic angstroms.

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: Find the Zeolite phase identifier (Zeo2) when the Silicon molar ratio (Si) is MFI, Germanium molar ratio (Ge) is 1, and Aluminum molar ratio (Al) is 1.0.

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

Find the Zeolite phase identifier (Zeo2) when the Silicon molar ratio (Si) is {}, Germanium molar ratio (Ge) is {}, and Aluminum molar ratio (Al) is {}.


Question: What is the electron affinity of element A (EAa) when composition AgTa0.6Nb0.4O3 has a bandgap (Eg) of 2.9 eV and density of A (ρa) is 10.5?

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: For a material with B3LYP gap 0.088, PBE0 LUMO -0.113, and BP86 HOMO -0.183, determine the id.

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

For a material with B3LYP gap {}, PBE0 LUMO {}, and BP86 HOMO {}, determine the id.


Question: Retrieve the formula_energy of the compound with ID 1917 and formula AsO4Sc.

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

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


Question: What is the source (src) of the entry where the electronic dielectric contribution (diel_elec) is Huan_etal:SciDat(submitted) and the atomic energy is 3.34732?

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

What is the source (src) of the entry where the electronic dielectric contribution (diel_elec) is {} and the atomic energy is {}?


Question: What is the band gap (gap pbe) of the compound BaN2?

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

What is the band gap (gap pbe) of the compound {}?


Question: What is the AFLOWLIB Uniform Resource Locator (AURL) for the entry with the AFLOWLIB Unique Identifier (auid) 185e329bf1e88217?

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

What is the AFLOWLIB Uniform Resource Locator (AURL) for the entry with the AFLOWLIB Unique Identifier (auid) {}?


Question: Find the primary support molar percentage when the secondary cation is 57.0 and the C₂ yield classification is 3.0.

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

Find the primary support molar percentage when the secondary cation is {} and the C₂ yield classification is {}.


Question: Which substitution anion X1 accompanies primary element B Ti and surface area 1.9 m²/g?

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 is the formula of the material assigned ID 4837?

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

What is the formula of the material assigned ID {}?


Question: Which material’s Tc matches the value 7.31? Provide its formula.

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

Which material’s Tc matches the value {}? Provide its formula.


Question: Determine the GGA band gap energy (gga_gap) for the material labeled 2.9104.

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

Determine the GGA band gap energy (gga_gap) for the material labeled {}.


Question: Identify the thermodynamic stability of materials where delta_e is 0.22276803810345.

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

Identify the thermodynamic stability of materials where delta_e is {}.


Question: What is the direct bandgap energy (eV) for a composition with A_AtomN 49, B element He, and Cn value 1?

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

What is the direct bandgap energy (eV) for a composition with A_AtomN {}, B element {}, and Cn value {}?


Question: What is the secondary anion molar percentage when the primary cation is 48.0 and the oxygen pressure is 0.084?

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: What is the magnetic moment (mu_b) for ID mp-1000 with shear modulus -52.72219089789422?

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

What is the magnetic moment (mu_b) for ID {} with shear modulus {}?


Question: What is the aging time (AH) for the molecular formula LaCrO3 prepared via method 3?

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

What is the aging time (AH) for the molecular formula {} prepared via method {}?


Question: What additional catalyst components are present in experiments with synthesis time 38.0 hours?

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

What additional catalyst components are present in experiments with synthesis time {} hours?


Question: Calculate the conduction band minimum (surf_cbm) for material BeTe and surface Surface-JVASP-1248_miller_1_1_0_thickness_16_VASP_PBE_noDP when the average maximum potential is 13.323995191034284.

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

Calculate the conduction band minimum (surf_cbm) for material {} and surface {} when the average maximum potential is {}.


Question: What is the energy above convex hull (e_hull) for the compound with the formula BaTe?

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

What is the energy above convex hull (e_hull) for the compound with the formula {}?


Question: What is the chemical formula (species) of the compound with numerical identifier 0?

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

What is the chemical formula (species) of the compound with numerical identifier {}?


Question: Determine the calcination temperature (CT) required for the molecular formula LaFeO3 to achieve a specific surface area of 1.08 m²/g.

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: Determine the ID for the material whose formula is B2Th1.

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

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


Question: Provide the reference identifier for the perovskite compound Sr2Sb2O7 that has primary A site Sr and cycle3 measurement 26.

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 first ionization energy of element B (I1b) in a material with electronegativity of A (χpa) 1.93, electron affinity of B (EAb) 42.12, and molar mass (M) 319.2?

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

What is the first ionization energy of element B (I1b) in a material with electronegativity of A (χpa) {}, electron affinity of B (EAb) {}, and molar mass (M) {}?


Question: Determine the temperature needed for solvent type Methyl alcohol, polymer weight 0.0 kDa, and surfactant type Sodium dodecylsulfate.

Solvent type
Polymer Mwt, kDa
Surfactant type
Temperature, C

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

Determine the temperature needed for solvent type {}, polymer weight {} kDa, and surfactant type {}.


Question: Which anion element is present in the crystal structure of the material composition Ba2Ca6Fe8O24?

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

Which anion element is present in the crystal structure of the material composition {}?


Question: Report the number of sites for a material with Hubbard U values {'Na': 0.0, 'Mn': 3.9, 'C': 0.0, 'S': 0.0, 'O': 0.0} and oxide type oxide.

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

Report the number of sites for a material with Hubbard U values {} and oxide type {}.


Question: Which element maps to the reference ID mvc-11034?

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

Which element maps to the reference ID {}?


Question: What synthesis duration is required for polymer type PVP, surfactant type Myristyltrimethylammonium bromide, and temperature 58 C?

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 Base element present in the Composition BeLi?

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

What is the Base element present in the Composition {}?


Question: What is the shear modulus (Gv) of a material with exfoliation energy 77.18 and Poisson’s ratio na?

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

What is the shear modulus (Gv) of a material with exfoliation energy {} and Poisson’s ratio {}?


Question: What pH level was used for Sulfadiazine natrium salt when the light intensity was 2.9 mW/cm² and temperature 21°C?

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

What pH level was used for {} when the light intensity was {} mW/cm² and temperature {}°C?


Question: Calculate the Methane adsorption energy (CH4Ead) for the Base Be combined with Dope N.

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

Calculate the Methane adsorption energy (CH4Ead) for the Base {} combined with Dope {}.


Question: At what calcination temperature (K) was a reaction solution of 353.0 used?

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: What is the hydrogen production rate (RH2) for the photocatalyst with molecular formula La0.85Sr0.15FeO3?

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

What is the hydrogen production rate (RH2) for the photocatalyst with molecular formula {}?


Question: Determine the cycle1 performance for a material with primary B site Ti, secondary B2 site Rh, and reference ID [A85].

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

Determine the cycle1 performance for a material with primary B site {}, secondary B2 site {}, and reference ID {}.


Question: Identify the reference identifier for a material with primary B site Ti, secondary B2 site Nb, and cycle3 performance 350.

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: Determine the Reaction energy (ReactionE) for a material with Base Be and Dope B.

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

Determine the Reaction energy (ReactionE) for a material with Base {} and Dope {}.


Question: Identify the OER warning flag status for the article from Peoples R China (Country) with an alkaline overpotential of 95.45.

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

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

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


Question: Given material ID mp-1000, what is its e_hull value?

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

Given material ID {}, what is its e_hull value?


Question: Identify the desorption temperature (DT) of a perovskite oxide with SSA of 1.05 m²/g and calcination temperature of 900℃.

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

Identify the desorption temperature (DT) of a perovskite oxide with SSA of {} m²/g and calcination temperature of {}℃.


Question: What geometric shape (polyhedron) surrounds the lanthanide ion in compound [Pc2Dy]TBA:[Pc2Y]TBA = 1/4?

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

What geometric shape (polyhedron) surrounds the lanthanide ion in compound {}?


Question: Which authors contributed to the paper titled Dohoon Choi?

Distribution of integral Fourier Coefficients of a Modular Form of Half
  Integral Weight Modulo Primes

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

Which authors contributed to the paper titled {}?


Question: Which research facility in Serbia contributed to this study?

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

Which research facility in {} contributed to this study?


Question: What is the M06 Scharber Voc for the entry where the M06 gap is 0.2?

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

What is the M06 Scharber Voc for the entry where the M06 gap is {}?


Question: What is the enthalpy of formation at 0K (kJ/mol) for the compound with species H2OCH3OH and HOMO energy level -0.26909 eV?

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

What is the enthalpy of formation at 0K (kJ/mol) for the compound with species {} and HOMO energy level {} eV?


Question: What is the largest cavity diameter for an MOF with maximum CO₂ adsorption capacity of 3.79473?

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

What is the largest cavity diameter for an MOF with maximum CO₂ adsorption capacity of {}?


Question: What is the Fermi energy level (efermi) of surface Surface-JVASP-1699_miller_1_1_0_thickness_16_VASP_PBE_noDP composed of ThSbRh when the SCF conduction band minimum is 7.767?

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: What unit is associated with a measured value of 419?

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

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


Question: Find the reference number for the experiment on 1,4-Dioxane at temperature 20°C and pH 3.0.

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

Find the reference number for the experiment on {} at temperature {}°C and pH {}.


Question: For the compound with InChI InChI=1S/C2H8O2/c1-4(2)5-3/h3H,1-2H3, what is the LUMO energy level (eV)?

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

For the compound with InChI {}, what is the LUMO energy level (eV)?


Question: What is the Primary dense phase material (Dense1) when the Silicon molar ratio (Si) is ICMM-8?

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

What is the Primary dense phase material (Dense1) when the Silicon molar ratio (Si) is {}?


Question: Find the total magnetization for the material where the exfoliation energy per atom is 0.09579424083333343 and the bandgap is 0.9814000000000004?

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

Find the total magnetization for the material where the exfoliation energy per atom is {} and the bandgap is {}?


Question: What is the melting temperature of element B (B_Tm) in the material BaTi0.97Mo0.03O3?

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

What is the melting temperature of element B (B_Tm) in the material {}?


Question: Provide the entry date (date) for the COD CIF file 1000028?

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

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


Question: Find the current density at 0.63 V (secondCA) for a material with In set to 0.7 and Fe set to 0.3.

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

Find the current density at 0.63 V (secondCA) for a material with In set to {} and Fe set to {}.