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The dataset generation failed
Error code: DatasetGenerationError
Exception: ArrowInvalid
Message: JSON parse error: Column(/answer/[]/Calcination time(h)) changed from number to string in row 5
Traceback: Traceback (most recent call last):
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/packaged_modules/json/json.py", line 160, in _generate_tables
df = pandas_read_json(f)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/packaged_modules/json/json.py", line 38, in pandas_read_json
return pd.read_json(path_or_buf, **kwargs)
File "/src/services/worker/.venv/lib/python3.9/site-packages/pandas/io/json/_json.py", line 815, in read_json
return json_reader.read()
File "/src/services/worker/.venv/lib/python3.9/site-packages/pandas/io/json/_json.py", line 1025, in read
obj = self._get_object_parser(self.data)
File "/src/services/worker/.venv/lib/python3.9/site-packages/pandas/io/json/_json.py", line 1051, in _get_object_parser
obj = FrameParser(json, **kwargs).parse()
File "/src/services/worker/.venv/lib/python3.9/site-packages/pandas/io/json/_json.py", line 1187, in parse
self._parse()
File "/src/services/worker/.venv/lib/python3.9/site-packages/pandas/io/json/_json.py", line 1403, in _parse
ujson_loads(json, precise_float=self.precise_float), dtype=None
ValueError: Trailing data
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1855, in _prepare_split_single
for _, table in generator:
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/packaged_modules/json/json.py", line 163, in _generate_tables
raise e
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/packaged_modules/json/json.py", line 137, in _generate_tables
pa_table = paj.read_json(
File "pyarrow/_json.pyx", line 308, in pyarrow._json.read_json
File "pyarrow/error.pxi", line 154, in pyarrow.lib.pyarrow_internal_check_status
File "pyarrow/error.pxi", line 91, in pyarrow.lib.check_status
pyarrow.lib.ArrowInvalid: JSON parse error: Column(/answer/[]/Calcination time(h)) changed from number to string in row 5
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1433, in compute_config_parquet_and_info_response
parquet_operations = convert_to_parquet(builder)
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1050, in convert_to_parquet
builder.download_and_prepare(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 925, in download_and_prepare
self._download_and_prepare(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1001, in _download_and_prepare
self._prepare_split(split_generator, **prepare_split_kwargs)
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1742, in _prepare_split
for job_id, done, content in self._prepare_split_single(
File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1898, in _prepare_split_single
raise DatasetGenerationError("An error occurred while generating the dataset") from e
datasets.exceptions.DatasetGenerationError: An error occurred while generating the datasetNeed help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.
question
string | refer_dataset
string | column names
sequence | condition_column
sequence | answer_column
sequence | condition
dict | tool
string | answer
dict | level
string | question description
string | refer_template
string |
|---|---|---|---|---|---|---|---|---|---|---|
Retrieve the total magnetization value for the material identified by material ID 2dm-9. | table67 | [
"material_id",
"total_magnetization"
]
| [
"material_id"
]
| [
"total_magnetization"
]
| {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"file": null,
"jid": null,
"id": null,
"source_id": null,
"DOI": null,
"bulk_formula": null,
"species": null,
"enthalpy_formation_298K": null,
"chem_pot": null,
"Total flow (mL/min)": null,
"Temp. (℃)": null,
"CH4 conversion (%)": null,
"formula": null,
"formula_energy": null,
"Ra": null,
"ρa": null,
"RH2(µmol h-1 g-1)": null,
"Preparation method": null,
"Calcination temperature(K)": null,
"Temperature": null,
"PBE_decomp_energy": null,
"Log_fom": null,
"e_above_hull": null,
"elements": null,
"density": null,
"optb88vdw_vbm": null,
"offset": null,
"compound": null,
"chemical_family": null,
"magmom_oszicar": null,
"M1": null,
"Par": null,
"Type": null,
"Solvent, % vol.": null,
"exfoliation_energy_per_atom": null,
"bandgap": null,
"sentence": null,
"composition": null,
"mT": null,
"goldschmidt_TF_ionic": null,
"Preparation": null,
"COx": null,
"Support": null,
"C2 selectivity (%)": null,
"A mole": null,
"M": null,
"location": null,
"Surface area (m2/g)": null,
"Pore Volume (cm3/g)": null,
"Degradation efficiency (%)": null,
"e_hull": null,
"mu_b": null,
"Molecular formulas": null,
"SSA (m2 g -1 )": null,
"SMILES_relaxed": null,
"mu": null,
"max_co2_adsp": null,
"spg_symbol": null,
"OC": null,
"Molecular formula": null,
"Surface Area(m2/g)": null,
"emu/cm^3": null,
"osda smiles": null,
"Photocatalyst(s)": null,
"MOF_Type": null,
"Phase": null,
"C0, mg/L": null,
"pH": null,
"T, oC": null,
"Synthesis time": null,
"Tc": null,
"A site #1": null,
"A site #3": null,
"formation_energy (eV/atom)": null,
"Catalyst label": null,
"Year": null,
"C.E. %": null,
"total_magnetization": null,
"void_fraction": null,
"Perovskite": null,
"name": null,
"efermi": null,
"material_id": "2dm-9",
"bulk_energy": null,
"ef": null,
"search": null,
"M4": null,
"CO yield (%)": null,
"ReactionType": null,
"Catalyst": null,
"stress": null,
"atoms": null,
"surf_cbm": null,
"title": null,
"CH4-conversion%": null,
"Contact-times": null,
"Ni": null,
"Ca": null,
"CIF_file_name": null,
"pub_year": null,
"X site": null,
"energy_above_hull (meV/atom)": null,
"Material Family": null,
"spg_number": null,
"diel_ion": null,
"src": null,
"spacegroup": null,
"DT (℃)": null,
"Co catalyst": null,
"Material": null,
"Facility": null,
"diel_elec": null,
"homo": null,
"zpve": null,
"H": null,
"Mg": null,
"J.uAcm2_0.80_fromCV": null,
"B": null,
"AA": null,
"surfaces": null,
"reaction_energy": null,
"poisson": null,
"Material Composition": null,
"optb88vdw_cbm": null,
"A site #2": null,
"B site #1": null,
"bulk modulus": null,
"e_form": null,
"ab": null,
"avg_max": null,
"volume": null,
"Other": null,
"OH": null,
"FD2": null,
"wycoff": null,
"symbol": null,
"Dense1": null,
"Ge": null,
"ITQ": null,
"bp86_homo": null,
"bp86_lumo": null,
"bp86_gap": null,
"A": null,
"Bn": null,
"Formation_E": null,
"final_energy": null,
"I, mW/cm2": null,
"D, g/L": null,
"Base": null,
"Dope": null,
"Temp (oC)": null,
"CO2 yield (%)": null,
"pld": null,
"surface_area_m2g": null,
"Number of elements": null,
"χpa": null,
"EAb": null,
"sub_family": null,
"A_AtimicN": null,
"surfaces_key": null,
"MetalPart": null,
"submitter": null,
"m06_homo": null,
"m06_lumo": null,
"Atomic Radius (Å)": null,
"mat_id": null,
"SMILES": null,
"initial_atoms": null,
"goldschmidt_TF": null,
"I1a": null,
"Ra/Rb": null,
"t": null,
"_oqmd_band_gap": null,
"Solvent type": null,
"Polymer Mwt, kDa": null,
"Surfactant type": null,
"C2H6 yield(%)": null,
"H2O(g)": null,
"shear_modulus_gv": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"elastic anisotropy": null,
"Pch4": null,
"Po2": null,
"ICSD_number": null,
"ff_vac": null,
"SBET (m2 /g)": null,
"Tol": null,
"HSE_latt_const": null,
"spg": null,
"pbe0_gap": null,
"surface_area_m2cm3": null,
"Symbol": null,
"FD1": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"BandGap(eV)": null,
"Full Name of Perovskite": null,
"A site": null,
"cycle3": null,
"CH4/O2 (mol/mol)": null,
"PAr (atm)": null,
"Au": null,
"Onset": null,
"b": null,
"b_key": null,
"func": null,
"Degradation rate(%)": null,
"Pollutant": null,
"Polymer type": null,
"Temperature, C": null,
"Surfactant, % wt.": null,
"co2_absp": null,
"SNUMAT_id": null,
"Magnetic_ordering": null,
"G": null,
"Materials": null,
"Eg(eV)": null,
"Composition": null,
"asphericity_mean_0": null,
"atom_en": null,
"ab_key": null,
"C2 yield (%)": null,
"CO yield(%)": null,
"band_gap_dir": null,
"cycle5": null,
"A_O": null,
"B_O": null,
"Ca ion, mM": null,
"Dopant": null,
"Dopant/Ti mole ratio": null,
"Illumination time(min)": null,
"label": null,
"energy_per_atom": null,
"f_enp": null,
"formation_energy_peratom": null,
"authors": null,
"update_date": null,
"alpha": null,
"M1_atom_number": null,
"M2": null,
"CO2y": null,
"A_AtomN": null,
"Cn": null,
"Bi type in photocatalyst": null,
"light source": null,
"Reaction medium": null,
"Pt": null,
"Ru": null,
"shear modulus": null,
"gap pbe": null,
"Journal_Name": null,
"optb88vdw_bandgap": null,
"Mn": null,
"Fe": null,
"min_co2_adsp": null,
"lcd": null,
"co2_pressures": null,
"exfoliation_energy": null,
"BCCmagmom": null,
"emu/g": null,
"_oqmd_stability": null,
"A_Tm": null,
"lumo": null,
"La": null,
"a": null,
"Rb": null,
"prototype_id": null,
"Ref": null,
"Support_ID": null,
"CO2s": null,
"Country": null,
"_oqmd_delta_e": null,
"Cation1": null,
"O2-pressure": null,
"gga_gap": null,
"-log(k), min-1": null,
"doi": null,
"inchi": null,
"PM": null,
"CT (℃)": null,
"categories": null,
"journal-ref": null,
"A2 site": null,
"B2 site": null,
"Duration of cycles (h)": null,
"EnergyAboveHull": null,
"Bsite_NdValence_range": null,
"defective_energy": null,
"CH4-pressure": null,
"I1b": null,
"C2H4 yield(%)": null,
"Calcination time(h)": null,
"icsd_ids": null,
"ρb": null,
"B_Tb": null,
"_oqmd_entry_id": null,
"HSE_gap": null,
"Substrates": null,
"γ＇相尺寸 (nm)": null,
"时效时间t (h)": null,
"EAa": null,
"Illumination time (min)": null,
"B_Tm": null,
"crystal_system": null,
"spacegroup_symbol": null,
"PBE_latt_const": null,
"时效温度T (℃)": null,
"固溶时间t (h)": null,
"M3": null,
"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"report-no": null,
"A1": null,
"SBET(m2/g)": null,
"octahedral_factor": null,
"MetalRatio": null,
"O2 Conv. (%)": null,
"M3 (wt%)": null,
"indir_gap": null,
"source_folder": null,
"natoms": null,
"Exp": null,
"E_AtomN": null,
"Indirect_Band": null,
"Volume": null,
"Lattice": null,
"D": null,
"paper_number": null,
"Ln_ion": null,
"CO3 ion, mM": null,
"Stirring, rpm": null,
"Co": null,
"Code": null,
"Anion1": null,
"Cation2": null,
"hse_gap": null,
"pretty_formula": null,
"scf_vbm": null,
"χpb": null,
"HOMO": null,
"LUMO": null,
"egap": null,
"Acid_OVP": null,
"Formation_energy": null,
"max_ir_mode": null,
"Space_group_rlx": null,
"C missing(%)": null,
"Resource": null,
"B site": null,
"authors_parsed": null,
"oxide_type": null,
"Rh": null,
"similarity": null,
"surf_vbm": null,
"A/m": null,
"CO2 yield(%)": null,
"unit_cell_formula": null,
"nsites": null,
"HSE_decomp_energy": null,
"diel_tot": null,
"bulk_modulus_kv": null,
"m06_gap": null,
"AH (h)": null,
"spacegroup_number": null,
"scf_cbm": null,
"J.uAcm2_0.63_initialCA": null,
"total": null,
"Dn": null,
"Cation4-mol": null,
"A_Tb": null,
"net_magmom": null,
"source": null,
"Calcination temperature(°C)": null,
"Ti": null,
"固溶温度T (℃)": null,
"hubbards": null,
"HF": null,
"HCO3 ion, mM": null,
"kA/m": null,
"Nanostructuring": null,
"Al": null,
"bp86_scharber_pce": null,
"Cv": null,
"cycle2": null,
"Functionalization": null,
"Eps_elec": null,
"Extracted Value": null,
"Extracted Units": null,
"C_AtomN": null,
"bp86_scharber_jsc": null,
"R2": null,
"formation_energy_per_atom": null,
"Bsite_NsUnfilled_range": null,
"pbe0_scharber_voc": null,
"SDA": null,
"Si": null,
"J.uAcm2_0.63_secondCA": null,
"U0": null,
"PBE_gap": null,
"C2y": null,
"H2O": null,
"Anion2": null,
"C2selec": null,
"gyration_radius_mean_0": null,
"bader_net_charges": null,
"Reaction": null,
"In": null,
"WeigthMetalLoading": null,
"auid": null,
"material_type": null,
"Reaction solution": null,
"Catalyst/Pollutant mass ratio": null,
"En": null,
"Wave length(<nm)": null,
"Light Type": null,
"Zeo2": null,
"Y": null,
"MR1": null,
"MR2": null,
"Structure": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Cited_Time": null,
"gv": null,
"value": null,
"omega1": null,
"m06_scharber_voc": null,
"gap": null,
"Multiphase": null,
"Electric field": null,
"C2 yield(%)": null,
"CSM": null,
"axial_distortion": null,
"O2 Conv(%)": null,
"Band_gap_GGA_optical": null,
"Band_gap_HSE_optical": null,
"pbe0_lumo": null,
"C2-yield-class": null,
"Synthesis_Time": null,
"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
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"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
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"a": null,
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"energy_per_atom": null,
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"ef": null,
"jid": null,
"material_type": null,
"M3": null,
"id": null,
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"Light intensity(W)": null,
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"decomposition": null,
"elasticity": null,
"final_energy": null,
"axial_distortion": null,
"spillage": null,
"Surfactant type": null,
"total_magnetization": "0.0",
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"octahedral_factor_ionic": null,
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"B": null,
"ρb": null,
"energy_corrected": null,
"Antibiotic dosage (mg/L)": null,
"e_form": null,
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"lcd": null,
"nat": null,
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"RH2(µmol h-1 g-1)": null,
"X": null,
"°C": null,
"inertial_shape_factor_std_0": null,
"total": null,
"OC": null,
"Ca ion, mM": null,
"X site": null,
"surf_dat": null,
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"exfoliation_energy_per_atom": null,
"pld": null,
"surf_en": null,
"similarity": null,
"Ln_Kramers": null,
"spacegroup": null,
"C2H4 yield (%)": null,
"Mainproduct": null,
"mat_id": null,
"formula": null,
"Material Family": null,
"shear modulus": null,
"slme": null,
"formula_energy": null,
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"bulk_formula": null,
"concentration": null,
"B site #3": null,
"Surface Strain": null,
"mbj_bandgap": null,
"gga_gap": null,
"energy": null,
"PM": null,
"spg_symbol": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Country": null,
"hse_gap": null,
"lumo": null,
"coordination_number": null,
"U": null,
"Ca": null,
"X1": null,
"surfaces_key": null,
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"EnergyAboveHull": null,
"optb88vdw_vbm": null,
"date": null,
"Number of elements": null,
"gap pbe": null,
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"activation_energy": null,
"surf_cbm": null,
"pretty_formula": null,
"e_hull": null,
"MR1": null,
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"defective_energy": null,
"Time": null,
"bp86_scharber_pce": null,
"C_AtomN": null,
"Ref": null,
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"source_id": null,
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"final_atoms": null,
"A site #3": null,
"I1b": null,
"avg_max": null,
"Photocatalyst dose(g L-1)": null,
"slope_CSM": null,
"Support": null,
"abstract": null,
"m06_scharber_voc": null,
"ReactionE": null,
"Modulus of Elasticity 10³ Mpa": null,
"e_phase_separation": null,
"bandgap": null,
"HOMO": null,
"goldschmidt_TF_ionic": null,
"Rb": null,
"χpb": null,
"_oqmd_delta_e": null,
"Temperature, C": null,
"categories": null,
"CH4/O2 ratio": null,
"spg_number": null,
"material_id": null,
"b3lyp_scharber_pce": null,
"goldschmidt_TF": null,
"G": null,
"Par": null,
"Direct_or_indirect": null,
"symbol": null,
"loading (g/l)": null,
"Indexed_Date": null,
"nsites": null,
"ref": null,
"pbe0_description": null,
"MP (K)": null,
"HSE_mix_energy": null,
"enthalpy_formation_0K": null,
"CatW(g/L)": null,
"B site #1": null,
"C2 yield (%)": null,
"Pt": null,
"reaction_energy": null,
"mu": null,
"Illumination time(min)": null,
"value": null,
"CO3 ion, mM": null,
"co2_pressures": null,
"Direct_or_indirect_HSE": null,
"H": null,
"EAa": null,
"CH4Ead": null,
"A2 site": null,
"osda smiles": null,
"method": null,
"Tc": null,
"wavelength": null,
"wycoff": null,
"C0, mg/L": null,
"ab": null,
"r2": null,
"total_mag": null,
"D, g/L": null,
"K": null,
"homo": null,
"A_B": null,
"HCO3 ion, mM": null,
"band_gap": null,
"Degradation rate(%)": null,
"C2y": null,
"vol": null,
"surface_area_m2cm3": null,
"Surfactant, % wt.": null,
"natoms": null,
"crystal_system": null,
"elastic anisotropy": null,
"func": null,
"HSE_gap": null,
"license": null,
"ReactionType": null,
"Direct_Band": null,
"band_gap_ind": null,
"Yield (μmol/g/h)": null,
"Base": null,
"Au": null,
"scf_cbm": null,
"bulk modulus": null,
"optb88vdw_cbm": null,
"Alloying": null,
"Solvent type": null,
"_oqmd_entry_id": null,
"num_bonds_mean_0": null,
"J.uAcm2_0.63_secondCA": null,
"atom_en": null,
"shear_modulus_gv": null,
"at. wt.": null,
"spacegroup_symbol": null,
"Reaction": null,
"comments": null,
"CIF_type": null,
"label": null,
"ρa": null,
"t": null,
"Cv": null,
"ZPVE": null,
"title": null,
"Y": null,
"min_co2_adsp": null,
"PBE_latt_const": null,
"location": null,
"surface_area_m2g": null,
"vac_dat": null,
"B2 site": null,
"mu_b": null,
"magmom_oszicar": null,
"sgNumber": null,
"IF": null,
"Anion2-mol": null,
"atoms": null,
"chem_pot": null,
"topology": null,
"Temperature": null,
"name": null,
"Ref.": null,
"_oqmd_stability": null,
"authors_parsed": null,
"omega1": null,
"bulk_modulus_kv": null,
"cycle2": null,
"diel_tot": null,
"Dope": null,
"COx": null,
"bulk_energy": null,
"Calcination temperature(K)": null,
"offset": null,
"Space_group_rlx": null,
"EAb": null,
"-log(k), min-1": null,
"PBE_decomp_energy": null,
"Robs": null,
"Eg(eV)": null,
"Journal_Name": null,
"gap": null,
"DT (℃)": null,
"source": null,
"nelements": null,
"chemical_family": null,
"B_Tm": null,
"_oqmd_band_gap": null,
"Eps_elec": null,
"WeigthMetalLoading": null,
"时效温度T (℃)": null,
"Ra/Rb": null,
"C2 selectivity (%)": null,
"Degradation efficiency (%)": null,
"journal-ref": null,
"A_Tb": null,
"stress": null,
"net_magmom": null,
"max_co2_adsp": null,
"Co": null,
"energy_above_hull (meV/atom)": null,
"Surface Area(m2/g)": null,
"B_Tb": null,
"SSA (m2 g -1 )": null,
"MetalPart": null,
"formal_charge": null,
"Formation_energy": null,
"formation_energy (eV/atom)": null,
"dos_ef": null,
"PBE_mix_energy": null,
"cycle3": null,
"PAr (atm)": null,
"surf_vbm": null,
"M4": null,
"Cited_Time": null,
"M": null,
"f_enp": null,
"NH2": null,
"En": null,
"E_AtomN": null,
"Tol": null,
"DOI": null,
"doi": null,
"Solvent, % vol.": null,
"enthalpy_formation_298K": null,
"species": null,
"volume": null,
"γ＇相尺寸 (nm)": null,
"ΔfusHa": null,
"efermi": null,
"Ra": null,
"C2-selectivity": null,
"a_key": null,
"CH4/O2 (mol/mol)": null,
"CSM": null,
"cycle1": null,
"alpha": null,
"sub_family": null,
"SMILES_relaxed": null,
"enthalpy_atom": null,
"exfoliation_energy": null,
"volume_std_0": null,
"Bsite_NdValence_range": null,
"dfpt_piezo_max_dielectric_ionic": null,
"Band_gap_GGA_optical": null,
"furnace length(mm)": null,
"c": null,
"Ru": null,
"Pore Volume (cm3/g)": null,
"scf_vbm": null,
"CO yield (%)": null,
"mT": null,
"report-no": null,
"source_folder": null,
"cellpressure": null,
"initial_atoms": null,
"bader_atomic_volumes": null,
"e_above_hull": null,
"closest_polyhedron": null,
"m06_homo": null,
"pH": null,
"CH4-pressure": null,
"phon_dat": null,
"src": null,
"Material": null,
"indir_gap": null,
"Ni": null,
"B site #2": null,
"Reactor_Volume": null,
"Illumination time (min)": null,
"elements": null,
"Lattice": null,
"cycle5": null,
"Cation4": null,
"Product": null,
"Catalyst/Pollutant mass ratio": null,
"时效时间t (h)": null,
"SBET(m2/g)": null,
"mol_weight": null,
"authors": null,
"versions": null,
"Stirring, rpm": null,
"full_formula": null,
"AH (h)": null,
"bertz_ct_mean_0": null,
"composition": null,
"diel": null,
"C.E. %": null,
"Synthesis time": null,
"bp86_homo": null,
"zpve": null,
"Total flow (mL/min)": null,
"Duration of cycles (h)": null,
"update_date": null,
"Year": null,
"Polymer type": null,
"B_O": null,
"PBE_gap": null,
"Normalised Value": null,
"An": null,
"icsd_ids": null,
"pbe0_gap": null,
"FD1": null,
"Am": null,
"bp86_lumo": null,
"AA": null,
"Cation3": null,
"Magnetic_ordering": null,
"Mg": null,
"Power(W)": null,
"µ_B/f.u.": null,
"Perovskite": null,
"Dense2": null,
"Am^2/kg": null,
"kv": null,
"energy_atom": null,
"Catalyst": null,
"Doping": null,
"Type": null,
"Band_gap_HSE": null,
"spacegroup_number": null,
"cycle4": null,
"sigvol": null,
"aurl": null,
"diffrtemp": null,
"formation_energy_per_atom": null,
"T, oC": null,
"poisson": null,
"Preparation method": null,
"Volume": null,
"Light Type": null,
"void_fraction": null,
"ProdRate(μmol/g)": null,
"Al": null,
"Po2": null,
"egap_fit": null,
"La": null,
"Warning_OER.1": null,
"overpotential V": null,
"Facility": null,
"Judge_Hydrothermal": null,
"BandGap(eV)": null,
"Pch4": null,
"unit": null,
"prototype_id": null,
"-V vs. RHE V": null,
"unit_cell_formula": null,
"ff_vac": null,
"b3lyp_scharber_jsc": null,
"spg": null,
"Band_gap_HSE_optical": null,
"Ionic Radius (angstroms)": null,
"pbe0_homo": null,
"CH4 Conv(%)": null,
"band_gap_dir": null,
"pub_year": null,
"axes_mean_0": null,
"Polymer, % wt.": null,
"Resource": null,
"Support1-mol": null,
"Additional": null,
"search": null,
"Reaction solution": null,
"Si": null,
"C2s": null,
"OH": null,
"CH4 conversion (%)": null,
"co2_absp": null,
"CIF_file_name": null,
"HSE_decomp_energy": null,
"A site #2": null,
"year": null,
"U0": null
} | simple | In a tabular data structure, locate the cells that meet the requirements. | Retrieve the total magnetization value for the material identified by material ID {}. |
Determine the similarity score for YbFeO3 perovskite with feature 45 set to 0.014474. | table14 | [
"Perovskite",
"45",
"similarity"
]
| [
"Perovskite",
"45"
]
| [
"similarity"
]
| {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": "0.014474",
"file": null,
"jid": null,
"id": null,
"source_id": null,
"DOI": null,
"bulk_formula": null,
"species": null,
"enthalpy_formation_298K": null,
"chem_pot": null,
"Total flow (mL/min)": null,
"Temp. (℃)": null,
"CH4 conversion (%)": null,
"formula": null,
"formula_energy": null,
"Ra": null,
"ρa": null,
"RH2(µmol h-1 g-1)": null,
"Preparation method": null,
"Calcination temperature(K)": null,
"Temperature": null,
"PBE_decomp_energy": null,
"Log_fom": null,
"e_above_hull": null,
"elements": null,
"density": null,
"optb88vdw_vbm": null,
"offset": null,
"compound": null,
"chemical_family": null,
"magmom_oszicar": null,
"M1": null,
"Par": null,
"Type": null,
"Solvent, % vol.": null,
"exfoliation_energy_per_atom": null,
"bandgap": null,
"sentence": null,
"composition": null,
"mT": null,
"goldschmidt_TF_ionic": null,
"Preparation": null,
"COx": null,
"Support": null,
"C2 selectivity (%)": null,
"A mole": null,
"M": null,
"location": null,
"Surface area (m2/g)": null,
"Pore Volume (cm3/g)": null,
"Degradation efficiency (%)": null,
"e_hull": null,
"mu_b": null,
"Molecular formulas": null,
"SSA (m2 g -1 )": null,
"SMILES_relaxed": null,
"mu": null,
"max_co2_adsp": null,
"spg_symbol": null,
"OC": null,
"Molecular formula": null,
"Surface Area(m2/g)": null,
"emu/cm^3": null,
"osda smiles": null,
"Photocatalyst(s)": null,
"MOF_Type": null,
"Phase": null,
"C0, mg/L": null,
"pH": null,
"T, oC": null,
"Synthesis time": null,
"Tc": null,
"A site #1": null,
"A site #3": null,
"formation_energy (eV/atom)": null,
"Catalyst label": null,
"Year": null,
"C.E. %": null,
"total_magnetization": null,
"void_fraction": null,
"Perovskite": "YbFeO3",
"name": null,
"efermi": null,
"material_id": null,
"bulk_energy": null,
"ef": null,
"search": null,
"M4": null,
"CO yield (%)": null,
"ReactionType": null,
"Catalyst": null,
"stress": null,
"atoms": null,
"surf_cbm": null,
"title": null,
"CH4-conversion%": null,
"Contact-times": null,
"Ni": null,
"Ca": null,
"CIF_file_name": null,
"pub_year": null,
"X site": null,
"energy_above_hull (meV/atom)": null,
"Material Family": null,
"spg_number": null,
"diel_ion": null,
"src": null,
"spacegroup": null,
"DT (℃)": null,
"Co catalyst": null,
"Material": null,
"Facility": null,
"diel_elec": null,
"homo": null,
"zpve": null,
"H": null,
"Mg": null,
"J.uAcm2_0.80_fromCV": null,
"B": null,
"AA": null,
"surfaces": null,
"reaction_energy": null,
"poisson": null,
"Material Composition": null,
"optb88vdw_cbm": null,
"A site #2": null,
"B site #1": null,
"bulk modulus": null,
"e_form": null,
"ab": null,
"avg_max": null,
"volume": null,
"Other": null,
"OH": null,
"FD2": null,
"wycoff": null,
"symbol": null,
"Dense1": null,
"Ge": null,
"ITQ": null,
"bp86_homo": null,
"bp86_lumo": null,
"bp86_gap": null,
"A": null,
"Bn": null,
"Formation_E": null,
"final_energy": null,
"I, mW/cm2": null,
"D, g/L": null,
"Base": null,
"Dope": null,
"Temp (oC)": null,
"CO2 yield (%)": null,
"pld": null,
"surface_area_m2g": null,
"Number of elements": null,
"χpa": null,
"EAb": null,
"sub_family": null,
"A_AtimicN": null,
"surfaces_key": null,
"MetalPart": null,
"submitter": null,
"m06_homo": null,
"m06_lumo": null,
"Atomic Radius (Å)": null,
"mat_id": null,
"SMILES": null,
"initial_atoms": null,
"goldschmidt_TF": null,
"I1a": null,
"Ra/Rb": null,
"t": null,
"_oqmd_band_gap": null,
"Solvent type": null,
"Polymer Mwt, kDa": null,
"Surfactant type": null,
"C2H6 yield(%)": null,
"H2O(g)": null,
"shear_modulus_gv": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"elastic anisotropy": null,
"Pch4": null,
"Po2": null,
"ICSD_number": null,
"ff_vac": null,
"SBET (m2 /g)": null,
"Tol": null,
"HSE_latt_const": null,
"spg": null,
"pbe0_gap": null,
"surface_area_m2cm3": null,
"Symbol": null,
"FD1": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"BandGap(eV)": null,
"Full Name of Perovskite": null,
"A site": null,
"cycle3": null,
"CH4/O2 (mol/mol)": null,
"PAr (atm)": null,
"Au": null,
"Onset": null,
"b": null,
"b_key": null,
"func": null,
"Degradation rate(%)": null,
"Pollutant": null,
"Polymer type": null,
"Temperature, C": null,
"Surfactant, % wt.": null,
"co2_absp": null,
"SNUMAT_id": null,
"Magnetic_ordering": null,
"G": null,
"Materials": null,
"Eg(eV)": null,
"Composition": null,
"asphericity_mean_0": null,
"atom_en": null,
"ab_key": null,
"C2 yield (%)": null,
"CO yield(%)": null,
"band_gap_dir": null,
"cycle5": null,
"A_O": null,
"B_O": null,
"Ca ion, mM": null,
"Dopant": null,
"Dopant/Ti mole ratio": null,
"Illumination time(min)": null,
"label": null,
"energy_per_atom": null,
"f_enp": null,
"formation_energy_peratom": null,
"authors": null,
"update_date": null,
"alpha": null,
"M1_atom_number": null,
"M2": null,
"CO2y": null,
"A_AtomN": null,
"Cn": null,
"Bi type in photocatalyst": null,
"light source": null,
"Reaction medium": null,
"Pt": null,
"Ru": null,
"shear modulus": null,
"gap pbe": null,
"Journal_Name": null,
"optb88vdw_bandgap": null,
"Mn": null,
"Fe": null,
"min_co2_adsp": null,
"lcd": null,
"co2_pressures": null,
"exfoliation_energy": null,
"BCCmagmom": null,
"emu/g": null,
"_oqmd_stability": null,
"A_Tm": null,
"lumo": null,
"La": null,
"a": null,
"Rb": null,
"prototype_id": null,
"Ref": null,
"Support_ID": null,
"CO2s": null,
"Country": null,
"_oqmd_delta_e": null,
"Cation1": null,
"O2-pressure": null,
"gga_gap": null,
"-log(k), min-1": null,
"doi": null,
"inchi": null,
"PM": null,
"CT (℃)": null,
"categories": null,
"journal-ref": null,
"A2 site": null,
"B2 site": null,
"Duration of cycles (h)": null,
"EnergyAboveHull": null,
"Bsite_NdValence_range": null,
"defective_energy": null,
"CH4-pressure": null,
"I1b": null,
"C2H4 yield(%)": null,
"Calcination time(h)": null,
"icsd_ids": null,
"ρb": null,
"B_Tb": null,
"_oqmd_entry_id": null,
"HSE_gap": null,
"Substrates": null,
"γ＇相尺寸 (nm)": null,
"时效时间t (h)": null,
"EAa": null,
"Illumination time (min)": null,
"B_Tm": null,
"crystal_system": null,
"spacegroup_symbol": null,
"PBE_latt_const": null,
"时效温度T (℃)": null,
"固溶时间t (h)": null,
"M3": null,
"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"report-no": null,
"A1": null,
"SBET(m2/g)": null,
"octahedral_factor": null,
"MetalRatio": null,
"O2 Conv. (%)": null,
"M3 (wt%)": null,
"indir_gap": null,
"source_folder": null,
"natoms": null,
"Exp": null,
"E_AtomN": null,
"Indirect_Band": null,
"Volume": null,
"Lattice": null,
"D": null,
"paper_number": null,
"Ln_ion": null,
"CO3 ion, mM": null,
"Stirring, rpm": null,
"Co": null,
"Code": null,
"Anion1": null,
"Cation2": null,
"hse_gap": null,
"pretty_formula": null,
"scf_vbm": null,
"χpb": null,
"HOMO": null,
"LUMO": null,
"egap": null,
"Acid_OVP": null,
"Formation_energy": null,
"max_ir_mode": null,
"Space_group_rlx": null,
"C missing(%)": null,
"Resource": null,
"B site": null,
"authors_parsed": null,
"oxide_type": null,
"Rh": null,
"similarity": null,
"surf_vbm": null,
"A/m": null,
"CO2 yield(%)": null,
"unit_cell_formula": null,
"nsites": null,
"HSE_decomp_energy": null,
"diel_tot": null,
"bulk_modulus_kv": null,
"m06_gap": null,
"AH (h)": null,
"spacegroup_number": null,
"scf_cbm": null,
"J.uAcm2_0.63_initialCA": null,
"total": null,
"Dn": null,
"Cation4-mol": null,
"A_Tb": null,
"net_magmom": null,
"source": null,
"Calcination temperature(°C)": null,
"Ti": null,
"固溶温度T (℃)": null,
"hubbards": null,
"HF": null,
"HCO3 ion, mM": null,
"kA/m": null,
"Nanostructuring": null,
"Al": null,
"bp86_scharber_pce": null,
"Cv": null,
"cycle2": null,
"Functionalization": null,
"Eps_elec": null,
"Extracted Value": null,
"Extracted Units": null,
"C_AtomN": null,
"bp86_scharber_jsc": null,
"R2": null,
"formation_energy_per_atom": null,
"Bsite_NsUnfilled_range": null,
"pbe0_scharber_voc": null,
"SDA": null,
"Si": null,
"J.uAcm2_0.63_secondCA": null,
"U0": null,
"PBE_gap": null,
"C2y": null,
"H2O": null,
"Anion2": null,
"C2selec": null,
"gyration_radius_mean_0": null,
"bader_net_charges": null,
"Reaction": null,
"In": null,
"WeigthMetalLoading": null,
"auid": null,
"material_type": null,
"Reaction solution": null,
"Catalyst/Pollutant mass ratio": null,
"En": null,
"Wave length(<nm)": null,
"Light Type": null,
"Zeo2": null,
"Y": null,
"MR1": null,
"MR2": null,
"Structure": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Cited_Time": null,
"gv": null,
"value": null,
"omega1": null,
"m06_scharber_voc": null,
"gap": null,
"Multiphase": null,
"Electric field": null,
"C2 yield(%)": null,
"CSM": null,
"axial_distortion": null,
"O2 Conv(%)": null,
"Band_gap_GGA_optical": null,
"Band_gap_HSE_optical": null,
"pbe0_lumo": null,
"C2-yield-class": null,
"Synthesis_Time": null,
"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
"10": null,
"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
"55": null,
"a": null,
"elastic_tensor": null,
"R2": null,
"energy_per_atom": null,
"Acid_OVP": null,
"ef": null,
"jid": null,
"material_type": null,
"M3": null,
"id": null,
"A_Tm": null,
"Light intensity(W)": null,
"O2-pressure": null,
"Ref_ind": null,
"decomposition": null,
"elasticity": null,
"final_energy": null,
"axial_distortion": null,
"spillage": null,
"Surfactant type": null,
"total_magnetization": null,
"A m^2/kg": null,
"octahedral_factor_ionic": null,
"Cation3-mol": null,
"M2": null,
"B": null,
"ρb": null,
"energy_corrected": null,
"Antibiotic dosage (mg/L)": null,
"e_form": null,
"CT (℃)": null,
"lcd": null,
"nat": null,
"I, mW/cm2": null,
"RH2(µmol h-1 g-1)": null,
"X": null,
"°C": null,
"inertial_shape_factor_std_0": null,
"total": null,
"OC": null,
"Ca ion, mM": null,
"X site": null,
"surf_dat": null,
"Nanostructuring": null,
"exfoliation_energy_per_atom": null,
"pld": null,
"surf_en": null,
"similarity": "0.300885",
"Ln_Kramers": null,
"spacegroup": null,
"C2H4 yield (%)": null,
"Mainproduct": null,
"mat_id": null,
"formula": null,
"Material Family": null,
"shear modulus": null,
"slme": null,
"formula_energy": null,
"Substrates": null,
"J.uAcm2_0.63_initialCA": null,
"bulk_formula": null,
"concentration": null,
"B site #3": null,
"Surface Strain": null,
"mbj_bandgap": null,
"gga_gap": null,
"energy": null,
"PM": null,
"spg_symbol": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Country": null,
"hse_gap": null,
"lumo": null,
"coordination_number": null,
"U": null,
"Ca": null,
"X1": null,
"surfaces_key": null,
"optb88vdw_bandgap": null,
"EnergyAboveHull": null,
"optb88vdw_vbm": null,
"date": null,
"Number of elements": null,
"gap pbe": null,
"Log_fom": null,
"activation_energy": null,
"surf_cbm": null,
"pretty_formula": null,
"e_hull": null,
"MR1": null,
"formation_energy_peratom": null,
"defective_energy": null,
"Time": null,
"bp86_scharber_pce": null,
"C_AtomN": null,
"Ref": null,
"CH3Ead": null,
"source_id": null,
"M1": null,
"final_atoms": null,
"A site #3": null,
"I1b": null,
"avg_max": null,
"Photocatalyst dose(g L-1)": null,
"slope_CSM": null,
"Support": null,
"abstract": null,
"m06_scharber_voc": null,
"ReactionE": null,
"Modulus of Elasticity 10³ Mpa": null,
"e_phase_separation": null,
"bandgap": null,
"HOMO": null,
"goldschmidt_TF_ionic": null,
"Rb": null,
"χpb": null,
"_oqmd_delta_e": null,
"Temperature, C": null,
"categories": null,
"CH4/O2 ratio": null,
"spg_number": null,
"material_id": null,
"b3lyp_scharber_pce": null,
"goldschmidt_TF": null,
"G": null,
"Par": null,
"Direct_or_indirect": null,
"symbol": null,
"loading (g/l)": null,
"Indexed_Date": null,
"nsites": null,
"ref": null,
"pbe0_description": null,
"MP (K)": null,
"HSE_mix_energy": null,
"enthalpy_formation_0K": null,
"CatW(g/L)": null,
"B site #1": null,
"C2 yield (%)": null,
"Pt": null,
"reaction_energy": null,
"mu": null,
"Illumination time(min)": null,
"value": null,
"CO3 ion, mM": null,
"co2_pressures": null,
"Direct_or_indirect_HSE": null,
"H": null,
"EAa": null,
"CH4Ead": null,
"A2 site": null,
"osda smiles": null,
"method": null,
"Tc": null,
"wavelength": null,
"wycoff": null,
"C0, mg/L": null,
"ab": null,
"r2": null,
"total_mag": null,
"D, g/L": null,
"K": null,
"homo": null,
"A_B": null,
"HCO3 ion, mM": null,
"band_gap": null,
"Degradation rate(%)": null,
"C2y": null,
"vol": null,
"surface_area_m2cm3": null,
"Surfactant, % wt.": null,
"natoms": null,
"crystal_system": null,
"elastic anisotropy": null,
"func": null,
"HSE_gap": null,
"license": null,
"ReactionType": null,
"Direct_Band": null,
"band_gap_ind": null,
"Yield (μmol/g/h)": null,
"Base": null,
"Au": null,
"scf_cbm": null,
"bulk modulus": null,
"optb88vdw_cbm": null,
"Alloying": null,
"Solvent type": null,
"_oqmd_entry_id": null,
"num_bonds_mean_0": null,
"J.uAcm2_0.63_secondCA": null,
"atom_en": null,
"shear_modulus_gv": null,
"at. wt.": null,
"spacegroup_symbol": null,
"Reaction": null,
"comments": null,
"CIF_type": null,
"label": null,
"ρa": null,
"t": null,
"Cv": null,
"ZPVE": null,
"title": null,
"Y": null,
"min_co2_adsp": null,
"PBE_latt_const": null,
"location": null,
"surface_area_m2g": null,
"vac_dat": null,
"B2 site": null,
"mu_b": null,
"magmom_oszicar": null,
"sgNumber": null,
"IF": null,
"Anion2-mol": null,
"atoms": null,
"chem_pot": null,
"topology": null,
"Temperature": null,
"name": null,
"Ref.": null,
"_oqmd_stability": null,
"authors_parsed": null,
"omega1": null,
"bulk_modulus_kv": null,
"cycle2": null,
"diel_tot": null,
"Dope": null,
"COx": null,
"bulk_energy": null,
"Calcination temperature(K)": null,
"offset": null,
"Space_group_rlx": null,
"EAb": null,
"-log(k), min-1": null,
"PBE_decomp_energy": null,
"Robs": null,
"Eg(eV)": null,
"Journal_Name": null,
"gap": null,
"DT (℃)": null,
"source": null,
"nelements": null,
"chemical_family": null,
"B_Tm": null,
"_oqmd_band_gap": null,
"Eps_elec": null,
"WeigthMetalLoading": null,
"时效温度T (℃)": null,
"Ra/Rb": null,
"C2 selectivity (%)": null,
"Degradation efficiency (%)": null,
"journal-ref": null,
"A_Tb": null,
"stress": null,
"net_magmom": null,
"max_co2_adsp": null,
"Co": null,
"energy_above_hull (meV/atom)": null,
"Surface Area(m2/g)": null,
"B_Tb": null,
"SSA (m2 g -1 )": null,
"MetalPart": null,
"formal_charge": null,
"Formation_energy": null,
"formation_energy (eV/atom)": null,
"dos_ef": null,
"PBE_mix_energy": null,
"cycle3": null,
"PAr (atm)": null,
"surf_vbm": null,
"M4": null,
"Cited_Time": null,
"M": null,
"f_enp": null,
"NH2": null,
"En": null,
"E_AtomN": null,
"Tol": null,
"DOI": null,
"doi": null,
"Solvent, % vol.": null,
"enthalpy_formation_298K": null,
"species": null,
"volume": null,
"γ＇相尺寸 (nm)": null,
"ΔfusHa": null,
"efermi": null,
"Ra": null,
"C2-selectivity": null,
"a_key": null,
"CH4/O2 (mol/mol)": null,
"CSM": null,
"cycle1": null,
"alpha": null,
"sub_family": null,
"SMILES_relaxed": null,
"enthalpy_atom": null,
"exfoliation_energy": null,
"volume_std_0": null,
"Bsite_NdValence_range": null,
"dfpt_piezo_max_dielectric_ionic": null,
"Band_gap_GGA_optical": null,
"furnace length(mm)": null,
"c": null,
"Ru": null,
"Pore Volume (cm3/g)": null,
"scf_vbm": null,
"CO yield (%)": null,
"mT": null,
"report-no": null,
"source_folder": null,
"cellpressure": null,
"initial_atoms": null,
"bader_atomic_volumes": null,
"e_above_hull": null,
"closest_polyhedron": null,
"m06_homo": null,
"pH": null,
"CH4-pressure": null,
"phon_dat": null,
"src": null,
"Material": null,
"indir_gap": null,
"Ni": null,
"B site #2": null,
"Reactor_Volume": null,
"Illumination time (min)": null,
"elements": null,
"Lattice": null,
"cycle5": null,
"Cation4": null,
"Product": null,
"Catalyst/Pollutant mass ratio": null,
"时效时间t (h)": null,
"SBET(m2/g)": null,
"mol_weight": null,
"authors": null,
"versions": null,
"Stirring, rpm": null,
"full_formula": null,
"AH (h)": null,
"bertz_ct_mean_0": null,
"composition": null,
"diel": null,
"C.E. %": null,
"Synthesis time": null,
"bp86_homo": null,
"zpve": null,
"Total flow (mL/min)": null,
"Duration of cycles (h)": null,
"update_date": null,
"Year": null,
"Polymer type": null,
"B_O": null,
"PBE_gap": null,
"Normalised Value": null,
"An": null,
"icsd_ids": null,
"pbe0_gap": null,
"FD1": null,
"Am": null,
"bp86_lumo": null,
"AA": null,
"Cation3": null,
"Magnetic_ordering": null,
"Mg": null,
"Power(W)": null,
"µ_B/f.u.": null,
"Perovskite": null,
"Dense2": null,
"Am^2/kg": null,
"kv": null,
"energy_atom": null,
"Catalyst": null,
"Doping": null,
"Type": null,
"Band_gap_HSE": null,
"spacegroup_number": null,
"cycle4": null,
"sigvol": null,
"aurl": null,
"diffrtemp": null,
"formation_energy_per_atom": null,
"T, oC": null,
"poisson": null,
"Preparation method": null,
"Volume": null,
"Light Type": null,
"void_fraction": null,
"ProdRate(μmol/g)": null,
"Al": null,
"Po2": null,
"egap_fit": null,
"La": null,
"Warning_OER.1": null,
"overpotential V": null,
"Facility": null,
"Judge_Hydrothermal": null,
"BandGap(eV)": null,
"Pch4": null,
"unit": null,
"prototype_id": null,
"-V vs. RHE V": null,
"unit_cell_formula": null,
"ff_vac": null,
"b3lyp_scharber_jsc": null,
"spg": null,
"Band_gap_HSE_optical": null,
"Ionic Radius (angstroms)": null,
"pbe0_homo": null,
"CH4 Conv(%)": null,
"band_gap_dir": null,
"pub_year": null,
"axes_mean_0": null,
"Polymer, % wt.": null,
"Resource": null,
"Support1-mol": null,
"Additional": null,
"search": null,
"Reaction solution": null,
"Si": null,
"C2s": null,
"OH": null,
"CH4 conversion (%)": null,
"co2_absp": null,
"CIF_file_name": null,
"HSE_decomp_energy": null,
"A site #2": null,
"year": null,
"U0": null
} | complex | In a tabular data structure, locate the cells that meet the requirements. | Determine the similarity score for {} perovskite with feature 45 set to {}. |
Determine the molar mass (M) of a material with bandgap energy (Eg) of 3.97 eV. | table2 | [
"Eg(eV)",
"M"
]
| [
"Eg(eV)"
]
| [
"M"
]
| {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"file": null,
"jid": null,
"id": null,
"source_id": null,
"DOI": null,
"bulk_formula": null,
"species": null,
"enthalpy_formation_298K": null,
"chem_pot": null,
"Total flow (mL/min)": null,
"Temp. (℃)": null,
"CH4 conversion (%)": null,
"formula": null,
"formula_energy": null,
"Ra": null,
"ρa": null,
"RH2(µmol h-1 g-1)": null,
"Preparation method": null,
"Calcination temperature(K)": null,
"Temperature": null,
"PBE_decomp_energy": null,
"Log_fom": null,
"e_above_hull": null,
"elements": null,
"density": null,
"optb88vdw_vbm": null,
"offset": null,
"compound": null,
"chemical_family": null,
"magmom_oszicar": null,
"M1": null,
"Par": null,
"Type": null,
"Solvent, % vol.": null,
"exfoliation_energy_per_atom": null,
"bandgap": null,
"sentence": null,
"composition": null,
"mT": null,
"goldschmidt_TF_ionic": null,
"Preparation": null,
"COx": null,
"Support": null,
"C2 selectivity (%)": null,
"A mole": null,
"M": null,
"location": null,
"Surface area (m2/g)": null,
"Pore Volume (cm3/g)": null,
"Degradation efficiency (%)": null,
"e_hull": null,
"mu_b": null,
"Molecular formulas": null,
"SSA (m2 g -1 )": null,
"SMILES_relaxed": null,
"mu": null,
"max_co2_adsp": null,
"spg_symbol": null,
"OC": null,
"Molecular formula": null,
"Surface Area(m2/g)": null,
"emu/cm^3": null,
"osda smiles": null,
"Photocatalyst(s)": null,
"MOF_Type": null,
"Phase": null,
"C0, mg/L": null,
"pH": null,
"T, oC": null,
"Synthesis time": null,
"Tc": null,
"A site #1": null,
"A site #3": null,
"formation_energy (eV/atom)": null,
"Catalyst label": null,
"Year": null,
"C.E. %": null,
"total_magnetization": null,
"void_fraction": null,
"Perovskite": null,
"name": null,
"efermi": null,
"material_id": null,
"bulk_energy": null,
"ef": null,
"search": null,
"M4": null,
"CO yield (%)": null,
"ReactionType": null,
"Catalyst": null,
"stress": null,
"atoms": null,
"surf_cbm": null,
"title": null,
"CH4-conversion%": null,
"Contact-times": null,
"Ni": null,
"Ca": null,
"CIF_file_name": null,
"pub_year": null,
"X site": null,
"energy_above_hull (meV/atom)": null,
"Material Family": null,
"spg_number": null,
"diel_ion": null,
"src": null,
"spacegroup": null,
"DT (℃)": null,
"Co catalyst": null,
"Material": null,
"Facility": null,
"diel_elec": null,
"homo": null,
"zpve": null,
"H": null,
"Mg": null,
"J.uAcm2_0.80_fromCV": null,
"B": null,
"AA": null,
"surfaces": null,
"reaction_energy": null,
"poisson": null,
"Material Composition": null,
"optb88vdw_cbm": null,
"A site #2": null,
"B site #1": null,
"bulk modulus": null,
"e_form": null,
"ab": null,
"avg_max": null,
"volume": null,
"Other": null,
"OH": null,
"FD2": null,
"wycoff": null,
"symbol": null,
"Dense1": null,
"Ge": null,
"ITQ": null,
"bp86_homo": null,
"bp86_lumo": null,
"bp86_gap": null,
"A": null,
"Bn": null,
"Formation_E": null,
"final_energy": null,
"I, mW/cm2": null,
"D, g/L": null,
"Base": null,
"Dope": null,
"Temp (oC)": null,
"CO2 yield (%)": null,
"pld": null,
"surface_area_m2g": null,
"Number of elements": null,
"χpa": null,
"EAb": null,
"sub_family": null,
"A_AtimicN": null,
"surfaces_key": null,
"MetalPart": null,
"submitter": null,
"m06_homo": null,
"m06_lumo": null,
"Atomic Radius (Å)": null,
"mat_id": null,
"SMILES": null,
"initial_atoms": null,
"goldschmidt_TF": null,
"I1a": null,
"Ra/Rb": null,
"t": null,
"_oqmd_band_gap": null,
"Solvent type": null,
"Polymer Mwt, kDa": null,
"Surfactant type": null,
"C2H6 yield(%)": null,
"H2O(g)": null,
"shear_modulus_gv": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"elastic anisotropy": null,
"Pch4": null,
"Po2": null,
"ICSD_number": null,
"ff_vac": null,
"SBET (m2 /g)": null,
"Tol": null,
"HSE_latt_const": null,
"spg": null,
"pbe0_gap": null,
"surface_area_m2cm3": null,
"Symbol": null,
"FD1": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"BandGap(eV)": null,
"Full Name of Perovskite": null,
"A site": null,
"cycle3": null,
"CH4/O2 (mol/mol)": null,
"PAr (atm)": null,
"Au": null,
"Onset": null,
"b": null,
"b_key": null,
"func": null,
"Degradation rate(%)": null,
"Pollutant": null,
"Polymer type": null,
"Temperature, C": null,
"Surfactant, % wt.": null,
"co2_absp": null,
"SNUMAT_id": null,
"Magnetic_ordering": null,
"G": null,
"Materials": null,
"Eg(eV)": "3.97",
"Composition": null,
"asphericity_mean_0": null,
"atom_en": null,
"ab_key": null,
"C2 yield (%)": null,
"CO yield(%)": null,
"band_gap_dir": null,
"cycle5": null,
"A_O": null,
"B_O": null,
"Ca ion, mM": null,
"Dopant": null,
"Dopant/Ti mole ratio": null,
"Illumination time(min)": null,
"label": null,
"energy_per_atom": null,
"f_enp": null,
"formation_energy_peratom": null,
"authors": null,
"update_date": null,
"alpha": null,
"M1_atom_number": null,
"M2": null,
"CO2y": null,
"A_AtomN": null,
"Cn": null,
"Bi type in photocatalyst": null,
"light source": null,
"Reaction medium": null,
"Pt": null,
"Ru": null,
"shear modulus": null,
"gap pbe": null,
"Journal_Name": null,
"optb88vdw_bandgap": null,
"Mn": null,
"Fe": null,
"min_co2_adsp": null,
"lcd": null,
"co2_pressures": null,
"exfoliation_energy": null,
"BCCmagmom": null,
"emu/g": null,
"_oqmd_stability": null,
"A_Tm": null,
"lumo": null,
"La": null,
"a": null,
"Rb": null,
"prototype_id": null,
"Ref": null,
"Support_ID": null,
"CO2s": null,
"Country": null,
"_oqmd_delta_e": null,
"Cation1": null,
"O2-pressure": null,
"gga_gap": null,
"-log(k), min-1": null,
"doi": null,
"inchi": null,
"PM": null,
"CT (℃)": null,
"categories": null,
"journal-ref": null,
"A2 site": null,
"B2 site": null,
"Duration of cycles (h)": null,
"EnergyAboveHull": null,
"Bsite_NdValence_range": null,
"defective_energy": null,
"CH4-pressure": null,
"I1b": null,
"C2H4 yield(%)": null,
"Calcination time(h)": null,
"icsd_ids": null,
"ρb": null,
"B_Tb": null,
"_oqmd_entry_id": null,
"HSE_gap": null,
"Substrates": null,
"γ＇相尺寸 (nm)": null,
"时效时间t (h)": null,
"EAa": null,
"Illumination time (min)": null,
"B_Tm": null,
"crystal_system": null,
"spacegroup_symbol": null,
"PBE_latt_const": null,
"时效温度T (℃)": null,
"固溶时间t (h)": null,
"M3": null,
"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"report-no": null,
"A1": null,
"SBET(m2/g)": null,
"octahedral_factor": null,
"MetalRatio": null,
"O2 Conv. (%)": null,
"M3 (wt%)": null,
"indir_gap": null,
"source_folder": null,
"natoms": null,
"Exp": null,
"E_AtomN": null,
"Indirect_Band": null,
"Volume": null,
"Lattice": null,
"D": null,
"paper_number": null,
"Ln_ion": null,
"CO3 ion, mM": null,
"Stirring, rpm": null,
"Co": null,
"Code": null,
"Anion1": null,
"Cation2": null,
"hse_gap": null,
"pretty_formula": null,
"scf_vbm": null,
"χpb": null,
"HOMO": null,
"LUMO": null,
"egap": null,
"Acid_OVP": null,
"Formation_energy": null,
"max_ir_mode": null,
"Space_group_rlx": null,
"C missing(%)": null,
"Resource": null,
"B site": null,
"authors_parsed": null,
"oxide_type": null,
"Rh": null,
"similarity": null,
"surf_vbm": null,
"A/m": null,
"CO2 yield(%)": null,
"unit_cell_formula": null,
"nsites": null,
"HSE_decomp_energy": null,
"diel_tot": null,
"bulk_modulus_kv": null,
"m06_gap": null,
"AH (h)": null,
"spacegroup_number": null,
"scf_cbm": null,
"J.uAcm2_0.63_initialCA": null,
"total": null,
"Dn": null,
"Cation4-mol": null,
"A_Tb": null,
"net_magmom": null,
"source": null,
"Calcination temperature(°C)": null,
"Ti": null,
"固溶温度T (℃)": null,
"hubbards": null,
"HF": null,
"HCO3 ion, mM": null,
"kA/m": null,
"Nanostructuring": null,
"Al": null,
"bp86_scharber_pce": null,
"Cv": null,
"cycle2": null,
"Functionalization": null,
"Eps_elec": null,
"Extracted Value": null,
"Extracted Units": null,
"C_AtomN": null,
"bp86_scharber_jsc": null,
"R2": null,
"formation_energy_per_atom": null,
"Bsite_NsUnfilled_range": null,
"pbe0_scharber_voc": null,
"SDA": null,
"Si": null,
"J.uAcm2_0.63_secondCA": null,
"U0": null,
"PBE_gap": null,
"C2y": null,
"H2O": null,
"Anion2": null,
"C2selec": null,
"gyration_radius_mean_0": null,
"bader_net_charges": null,
"Reaction": null,
"In": null,
"WeigthMetalLoading": null,
"auid": null,
"material_type": null,
"Reaction solution": null,
"Catalyst/Pollutant mass ratio": null,
"En": null,
"Wave length(<nm)": null,
"Light Type": null,
"Zeo2": null,
"Y": null,
"MR1": null,
"MR2": null,
"Structure": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Cited_Time": null,
"gv": null,
"value": null,
"omega1": null,
"m06_scharber_voc": null,
"gap": null,
"Multiphase": null,
"Electric field": null,
"C2 yield(%)": null,
"CSM": null,
"axial_distortion": null,
"O2 Conv(%)": null,
"Band_gap_GGA_optical": null,
"Band_gap_HSE_optical": null,
"pbe0_lumo": null,
"C2-yield-class": null,
"Synthesis_Time": null,
"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
"10": null,
"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
"55": null,
"a": null,
"elastic_tensor": null,
"R2": null,
"energy_per_atom": null,
"Acid_OVP": null,
"ef": null,
"jid": null,
"material_type": null,
"M3": null,
"id": null,
"A_Tm": null,
"Light intensity(W)": null,
"O2-pressure": null,
"Ref_ind": null,
"decomposition": null,
"elasticity": null,
"final_energy": null,
"axial_distortion": null,
"spillage": null,
"Surfactant type": null,
"total_magnetization": null,
"A m^2/kg": null,
"octahedral_factor_ionic": null,
"Cation3-mol": null,
"M2": null,
"B": null,
"ρb": null,
"energy_corrected": null,
"Antibiotic dosage (mg/L)": null,
"e_form": null,
"CT (℃)": null,
"lcd": null,
"nat": null,
"I, mW/cm2": null,
"RH2(µmol h-1 g-1)": null,
"X": null,
"°C": null,
"inertial_shape_factor_std_0": null,
"total": null,
"OC": null,
"Ca ion, mM": null,
"X site": null,
"surf_dat": null,
"Nanostructuring": null,
"exfoliation_energy_per_atom": null,
"pld": null,
"surf_en": null,
"similarity": null,
"Ln_Kramers": null,
"spacegroup": null,
"C2H4 yield (%)": null,
"Mainproduct": null,
"mat_id": null,
"formula": null,
"Material Family": null,
"shear modulus": null,
"slme": null,
"formula_energy": null,
"Substrates": null,
"J.uAcm2_0.63_initialCA": null,
"bulk_formula": null,
"concentration": null,
"B site #3": null,
"Surface Strain": null,
"mbj_bandgap": null,
"gga_gap": null,
"energy": null,
"PM": null,
"spg_symbol": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Country": null,
"hse_gap": null,
"lumo": null,
"coordination_number": null,
"U": null,
"Ca": null,
"X1": null,
"surfaces_key": null,
"optb88vdw_bandgap": null,
"EnergyAboveHull": null,
"optb88vdw_vbm": null,
"date": null,
"Number of elements": null,
"gap pbe": null,
"Log_fom": null,
"activation_energy": null,
"surf_cbm": null,
"pretty_formula": null,
"e_hull": null,
"MR1": null,
"formation_energy_peratom": null,
"defective_energy": null,
"Time": null,
"bp86_scharber_pce": null,
"C_AtomN": null,
"Ref": null,
"CH3Ead": null,
"source_id": null,
"M1": null,
"final_atoms": null,
"A site #3": null,
"I1b": null,
"avg_max": null,
"Photocatalyst dose(g L-1)": null,
"slope_CSM": null,
"Support": null,
"abstract": null,
"m06_scharber_voc": null,
"ReactionE": null,
"Modulus of Elasticity 10³ Mpa": null,
"e_phase_separation": null,
"bandgap": null,
"HOMO": null,
"goldschmidt_TF_ionic": null,
"Rb": null,
"χpb": null,
"_oqmd_delta_e": null,
"Temperature, C": null,
"categories": null,
"CH4/O2 ratio": null,
"spg_number": null,
"material_id": null,
"b3lyp_scharber_pce": null,
"goldschmidt_TF": null,
"G": null,
"Par": null,
"Direct_or_indirect": null,
"symbol": null,
"loading (g/l)": null,
"Indexed_Date": null,
"nsites": null,
"ref": null,
"pbe0_description": null,
"MP (K)": null,
"HSE_mix_energy": null,
"enthalpy_formation_0K": null,
"CatW(g/L)": null,
"B site #1": null,
"C2 yield (%)": null,
"Pt": null,
"reaction_energy": null,
"mu": null,
"Illumination time(min)": null,
"value": null,
"CO3 ion, mM": null,
"co2_pressures": null,
"Direct_or_indirect_HSE": null,
"H": null,
"EAa": null,
"CH4Ead": null,
"A2 site": null,
"osda smiles": null,
"method": null,
"Tc": null,
"wavelength": null,
"wycoff": null,
"C0, mg/L": null,
"ab": null,
"r2": null,
"total_mag": null,
"D, g/L": null,
"K": null,
"homo": null,
"A_B": null,
"HCO3 ion, mM": null,
"band_gap": null,
"Degradation rate(%)": null,
"C2y": null,
"vol": null,
"surface_area_m2cm3": null,
"Surfactant, % wt.": null,
"natoms": null,
"crystal_system": null,
"elastic anisotropy": null,
"func": null,
"HSE_gap": null,
"license": null,
"ReactionType": null,
"Direct_Band": null,
"band_gap_ind": null,
"Yield (μmol/g/h)": null,
"Base": null,
"Au": null,
"scf_cbm": null,
"bulk modulus": null,
"optb88vdw_cbm": null,
"Alloying": null,
"Solvent type": null,
"_oqmd_entry_id": null,
"num_bonds_mean_0": null,
"J.uAcm2_0.63_secondCA": null,
"atom_en": null,
"shear_modulus_gv": null,
"at. wt.": null,
"spacegroup_symbol": null,
"Reaction": null,
"comments": null,
"CIF_type": null,
"label": null,
"ρa": null,
"t": null,
"Cv": null,
"ZPVE": null,
"title": null,
"Y": null,
"min_co2_adsp": null,
"PBE_latt_const": null,
"location": null,
"surface_area_m2g": null,
"vac_dat": null,
"B2 site": null,
"mu_b": null,
"magmom_oszicar": null,
"sgNumber": null,
"IF": null,
"Anion2-mol": null,
"atoms": null,
"chem_pot": null,
"topology": null,
"Temperature": null,
"name": null,
"Ref.": null,
"_oqmd_stability": null,
"authors_parsed": null,
"omega1": null,
"bulk_modulus_kv": null,
"cycle2": null,
"diel_tot": null,
"Dope": null,
"COx": null,
"bulk_energy": null,
"Calcination temperature(K)": null,
"offset": null,
"Space_group_rlx": null,
"EAb": null,
"-log(k), min-1": null,
"PBE_decomp_energy": null,
"Robs": null,
"Eg(eV)": null,
"Journal_Name": null,
"gap": null,
"DT (℃)": null,
"source": null,
"nelements": null,
"chemical_family": null,
"B_Tm": null,
"_oqmd_band_gap": null,
"Eps_elec": null,
"WeigthMetalLoading": null,
"时效温度T (℃)": null,
"Ra/Rb": null,
"C2 selectivity (%)": null,
"Degradation efficiency (%)": null,
"journal-ref": null,
"A_Tb": null,
"stress": null,
"net_magmom": null,
"max_co2_adsp": null,
"Co": null,
"energy_above_hull (meV/atom)": null,
"Surface Area(m2/g)": null,
"B_Tb": null,
"SSA (m2 g -1 )": null,
"MetalPart": null,
"formal_charge": null,
"Formation_energy": null,
"formation_energy (eV/atom)": null,
"dos_ef": null,
"PBE_mix_energy": null,
"cycle3": null,
"PAr (atm)": null,
"surf_vbm": null,
"M4": null,
"Cited_Time": null,
"M": "251.89",
"f_enp": null,
"NH2": null,
"En": null,
"E_AtomN": null,
"Tol": null,
"DOI": null,
"doi": null,
"Solvent, % vol.": null,
"enthalpy_formation_298K": null,
"species": null,
"volume": null,
"γ＇相尺寸 (nm)": null,
"ΔfusHa": null,
"efermi": null,
"Ra": null,
"C2-selectivity": null,
"a_key": null,
"CH4/O2 (mol/mol)": null,
"CSM": null,
"cycle1": null,
"alpha": null,
"sub_family": null,
"SMILES_relaxed": null,
"enthalpy_atom": null,
"exfoliation_energy": null,
"volume_std_0": null,
"Bsite_NdValence_range": null,
"dfpt_piezo_max_dielectric_ionic": null,
"Band_gap_GGA_optical": null,
"furnace length(mm)": null,
"c": null,
"Ru": null,
"Pore Volume (cm3/g)": null,
"scf_vbm": null,
"CO yield (%)": null,
"mT": null,
"report-no": null,
"source_folder": null,
"cellpressure": null,
"initial_atoms": null,
"bader_atomic_volumes": null,
"e_above_hull": null,
"closest_polyhedron": null,
"m06_homo": null,
"pH": null,
"CH4-pressure": null,
"phon_dat": null,
"src": null,
"Material": null,
"indir_gap": null,
"Ni": null,
"B site #2": null,
"Reactor_Volume": null,
"Illumination time (min)": null,
"elements": null,
"Lattice": null,
"cycle5": null,
"Cation4": null,
"Product": null,
"Catalyst/Pollutant mass ratio": null,
"时效时间t (h)": null,
"SBET(m2/g)": null,
"mol_weight": null,
"authors": null,
"versions": null,
"Stirring, rpm": null,
"full_formula": null,
"AH (h)": null,
"bertz_ct_mean_0": null,
"composition": null,
"diel": null,
"C.E. %": null,
"Synthesis time": null,
"bp86_homo": null,
"zpve": null,
"Total flow (mL/min)": null,
"Duration of cycles (h)": null,
"update_date": null,
"Year": null,
"Polymer type": null,
"B_O": null,
"PBE_gap": null,
"Normalised Value": null,
"An": null,
"icsd_ids": null,
"pbe0_gap": null,
"FD1": null,
"Am": null,
"bp86_lumo": null,
"AA": null,
"Cation3": null,
"Magnetic_ordering": null,
"Mg": null,
"Power(W)": null,
"µ_B/f.u.": null,
"Perovskite": null,
"Dense2": null,
"Am^2/kg": null,
"kv": null,
"energy_atom": null,
"Catalyst": null,
"Doping": null,
"Type": null,
"Band_gap_HSE": null,
"spacegroup_number": null,
"cycle4": null,
"sigvol": null,
"aurl": null,
"diffrtemp": null,
"formation_energy_per_atom": null,
"T, oC": null,
"poisson": null,
"Preparation method": null,
"Volume": null,
"Light Type": null,
"void_fraction": null,
"ProdRate(μmol/g)": null,
"Al": null,
"Po2": null,
"egap_fit": null,
"La": null,
"Warning_OER.1": null,
"overpotential V": null,
"Facility": null,
"Judge_Hydrothermal": null,
"BandGap(eV)": null,
"Pch4": null,
"unit": null,
"prototype_id": null,
"-V vs. RHE V": null,
"unit_cell_formula": null,
"ff_vac": null,
"b3lyp_scharber_jsc": null,
"spg": null,
"Band_gap_HSE_optical": null,
"Ionic Radius (angstroms)": null,
"pbe0_homo": null,
"CH4 Conv(%)": null,
"band_gap_dir": null,
"pub_year": null,
"axes_mean_0": null,
"Polymer, % wt.": null,
"Resource": null,
"Support1-mol": null,
"Additional": null,
"search": null,
"Reaction solution": null,
"Si": null,
"C2s": null,
"OH": null,
"CH4 conversion (%)": null,
"co2_absp": null,
"CIF_file_name": null,
"HSE_decomp_energy": null,
"A site #2": null,
"year": null,
"U0": null
} | simple | In a tabular data structure, locate the cells that meet the requirements. | Determine the molar mass (M) of a material with bandgap energy (Eg) of {} eV. |
Return the source identifier for the compound with total magnetization 0.0887066. | table67 | [
"total_magnetization",
"source_id"
]
| [
"total_magnetization"
]
| [
"source_id"
]
| {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"file": null,
"jid": null,
"id": null,
"source_id": null,
"DOI": null,
"bulk_formula": null,
"species": null,
"enthalpy_formation_298K": null,
"chem_pot": null,
"Total flow (mL/min)": null,
"Temp. (℃)": null,
"CH4 conversion (%)": null,
"formula": null,
"formula_energy": null,
"Ra": null,
"ρa": null,
"RH2(µmol h-1 g-1)": null,
"Preparation method": null,
"Calcination temperature(K)": null,
"Temperature": null,
"PBE_decomp_energy": null,
"Log_fom": null,
"e_above_hull": null,
"elements": null,
"density": null,
"optb88vdw_vbm": null,
"offset": null,
"compound": null,
"chemical_family": null,
"magmom_oszicar": null,
"M1": null,
"Par": null,
"Type": null,
"Solvent, % vol.": null,
"exfoliation_energy_per_atom": null,
"bandgap": null,
"sentence": null,
"composition": null,
"mT": null,
"goldschmidt_TF_ionic": null,
"Preparation": null,
"COx": null,
"Support": null,
"C2 selectivity (%)": null,
"A mole": null,
"M": null,
"location": null,
"Surface area (m2/g)": null,
"Pore Volume (cm3/g)": null,
"Degradation efficiency (%)": null,
"e_hull": null,
"mu_b": null,
"Molecular formulas": null,
"SSA (m2 g -1 )": null,
"SMILES_relaxed": null,
"mu": null,
"max_co2_adsp": null,
"spg_symbol": null,
"OC": null,
"Molecular formula": null,
"Surface Area(m2/g)": null,
"emu/cm^3": null,
"osda smiles": null,
"Photocatalyst(s)": null,
"MOF_Type": null,
"Phase": null,
"C0, mg/L": null,
"pH": null,
"T, oC": null,
"Synthesis time": null,
"Tc": null,
"A site #1": null,
"A site #3": null,
"formation_energy (eV/atom)": null,
"Catalyst label": null,
"Year": null,
"C.E. %": null,
"total_magnetization": "0.0887066",
"void_fraction": null,
"Perovskite": null,
"name": null,
"efermi": null,
"material_id": null,
"bulk_energy": null,
"ef": null,
"search": null,
"M4": null,
"CO yield (%)": null,
"ReactionType": null,
"Catalyst": null,
"stress": null,
"atoms": null,
"surf_cbm": null,
"title": null,
"CH4-conversion%": null,
"Contact-times": null,
"Ni": null,
"Ca": null,
"CIF_file_name": null,
"pub_year": null,
"X site": null,
"energy_above_hull (meV/atom)": null,
"Material Family": null,
"spg_number": null,
"diel_ion": null,
"src": null,
"spacegroup": null,
"DT (℃)": null,
"Co catalyst": null,
"Material": null,
"Facility": null,
"diel_elec": null,
"homo": null,
"zpve": null,
"H": null,
"Mg": null,
"J.uAcm2_0.80_fromCV": null,
"B": null,
"AA": null,
"surfaces": null,
"reaction_energy": null,
"poisson": null,
"Material Composition": null,
"optb88vdw_cbm": null,
"A site #2": null,
"B site #1": null,
"bulk modulus": null,
"e_form": null,
"ab": null,
"avg_max": null,
"volume": null,
"Other": null,
"OH": null,
"FD2": null,
"wycoff": null,
"symbol": null,
"Dense1": null,
"Ge": null,
"ITQ": null,
"bp86_homo": null,
"bp86_lumo": null,
"bp86_gap": null,
"A": null,
"Bn": null,
"Formation_E": null,
"final_energy": null,
"I, mW/cm2": null,
"D, g/L": null,
"Base": null,
"Dope": null,
"Temp (oC)": null,
"CO2 yield (%)": null,
"pld": null,
"surface_area_m2g": null,
"Number of elements": null,
"χpa": null,
"EAb": null,
"sub_family": null,
"A_AtimicN": null,
"surfaces_key": null,
"MetalPart": null,
"submitter": null,
"m06_homo": null,
"m06_lumo": null,
"Atomic Radius (Å)": null,
"mat_id": null,
"SMILES": null,
"initial_atoms": null,
"goldschmidt_TF": null,
"I1a": null,
"Ra/Rb": null,
"t": null,
"_oqmd_band_gap": null,
"Solvent type": null,
"Polymer Mwt, kDa": null,
"Surfactant type": null,
"C2H6 yield(%)": null,
"H2O(g)": null,
"shear_modulus_gv": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"elastic anisotropy": null,
"Pch4": null,
"Po2": null,
"ICSD_number": null,
"ff_vac": null,
"SBET (m2 /g)": null,
"Tol": null,
"HSE_latt_const": null,
"spg": null,
"pbe0_gap": null,
"surface_area_m2cm3": null,
"Symbol": null,
"FD1": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"BandGap(eV)": null,
"Full Name of Perovskite": null,
"A site": null,
"cycle3": null,
"CH4/O2 (mol/mol)": null,
"PAr (atm)": null,
"Au": null,
"Onset": null,
"b": null,
"b_key": null,
"func": null,
"Degradation rate(%)": null,
"Pollutant": null,
"Polymer type": null,
"Temperature, C": null,
"Surfactant, % wt.": null,
"co2_absp": null,
"SNUMAT_id": null,
"Magnetic_ordering": null,
"G": null,
"Materials": null,
"Eg(eV)": null,
"Composition": null,
"asphericity_mean_0": null,
"atom_en": null,
"ab_key": null,
"C2 yield (%)": null,
"CO yield(%)": null,
"band_gap_dir": null,
"cycle5": null,
"A_O": null,
"B_O": null,
"Ca ion, mM": null,
"Dopant": null,
"Dopant/Ti mole ratio": null,
"Illumination time(min)": null,
"label": null,
"energy_per_atom": null,
"f_enp": null,
"formation_energy_peratom": null,
"authors": null,
"update_date": null,
"alpha": null,
"M1_atom_number": null,
"M2": null,
"CO2y": null,
"A_AtomN": null,
"Cn": null,
"Bi type in photocatalyst": null,
"light source": null,
"Reaction medium": null,
"Pt": null,
"Ru": null,
"shear modulus": null,
"gap pbe": null,
"Journal_Name": null,
"optb88vdw_bandgap": null,
"Mn": null,
"Fe": null,
"min_co2_adsp": null,
"lcd": null,
"co2_pressures": null,
"exfoliation_energy": null,
"BCCmagmom": null,
"emu/g": null,
"_oqmd_stability": null,
"A_Tm": null,
"lumo": null,
"La": null,
"a": null,
"Rb": null,
"prototype_id": null,
"Ref": null,
"Support_ID": null,
"CO2s": null,
"Country": null,
"_oqmd_delta_e": null,
"Cation1": null,
"O2-pressure": null,
"gga_gap": null,
"-log(k), min-1": null,
"doi": null,
"inchi": null,
"PM": null,
"CT (℃)": null,
"categories": null,
"journal-ref": null,
"A2 site": null,
"B2 site": null,
"Duration of cycles (h)": null,
"EnergyAboveHull": null,
"Bsite_NdValence_range": null,
"defective_energy": null,
"CH4-pressure": null,
"I1b": null,
"C2H4 yield(%)": null,
"Calcination time(h)": null,
"icsd_ids": null,
"ρb": null,
"B_Tb": null,
"_oqmd_entry_id": null,
"HSE_gap": null,
"Substrates": null,
"γ＇相尺寸 (nm)": null,
"时效时间t (h)": null,
"EAa": null,
"Illumination time (min)": null,
"B_Tm": null,
"crystal_system": null,
"spacegroup_symbol": null,
"PBE_latt_const": null,
"时效温度T (℃)": null,
"固溶时间t (h)": null,
"M3": null,
"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"report-no": null,
"A1": null,
"SBET(m2/g)": null,
"octahedral_factor": null,
"MetalRatio": null,
"O2 Conv. (%)": null,
"M3 (wt%)": null,
"indir_gap": null,
"source_folder": null,
"natoms": null,
"Exp": null,
"E_AtomN": null,
"Indirect_Band": null,
"Volume": null,
"Lattice": null,
"D": null,
"paper_number": null,
"Ln_ion": null,
"CO3 ion, mM": null,
"Stirring, rpm": null,
"Co": null,
"Code": null,
"Anion1": null,
"Cation2": null,
"hse_gap": null,
"pretty_formula": null,
"scf_vbm": null,
"χpb": null,
"HOMO": null,
"LUMO": null,
"egap": null,
"Acid_OVP": null,
"Formation_energy": null,
"max_ir_mode": null,
"Space_group_rlx": null,
"C missing(%)": null,
"Resource": null,
"B site": null,
"authors_parsed": null,
"oxide_type": null,
"Rh": null,
"similarity": null,
"surf_vbm": null,
"A/m": null,
"CO2 yield(%)": null,
"unit_cell_formula": null,
"nsites": null,
"HSE_decomp_energy": null,
"diel_tot": null,
"bulk_modulus_kv": null,
"m06_gap": null,
"AH (h)": null,
"spacegroup_number": null,
"scf_cbm": null,
"J.uAcm2_0.63_initialCA": null,
"total": null,
"Dn": null,
"Cation4-mol": null,
"A_Tb": null,
"net_magmom": null,
"source": null,
"Calcination temperature(°C)": null,
"Ti": null,
"固溶温度T (℃)": null,
"hubbards": null,
"HF": null,
"HCO3 ion, mM": null,
"kA/m": null,
"Nanostructuring": null,
"Al": null,
"bp86_scharber_pce": null,
"Cv": null,
"cycle2": null,
"Functionalization": null,
"Eps_elec": null,
"Extracted Value": null,
"Extracted Units": null,
"C_AtomN": null,
"bp86_scharber_jsc": null,
"R2": null,
"formation_energy_per_atom": null,
"Bsite_NsUnfilled_range": null,
"pbe0_scharber_voc": null,
"SDA": null,
"Si": null,
"J.uAcm2_0.63_secondCA": null,
"U0": null,
"PBE_gap": null,
"C2y": null,
"H2O": null,
"Anion2": null,
"C2selec": null,
"gyration_radius_mean_0": null,
"bader_net_charges": null,
"Reaction": null,
"In": null,
"WeigthMetalLoading": null,
"auid": null,
"material_type": null,
"Reaction solution": null,
"Catalyst/Pollutant mass ratio": null,
"En": null,
"Wave length(<nm)": null,
"Light Type": null,
"Zeo2": null,
"Y": null,
"MR1": null,
"MR2": null,
"Structure": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Cited_Time": null,
"gv": null,
"value": null,
"omega1": null,
"m06_scharber_voc": null,
"gap": null,
"Multiphase": null,
"Electric field": null,
"C2 yield(%)": null,
"CSM": null,
"axial_distortion": null,
"O2 Conv(%)": null,
"Band_gap_GGA_optical": null,
"Band_gap_HSE_optical": null,
"pbe0_lumo": null,
"C2-yield-class": null,
"Synthesis_Time": null,
"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
"10": null,
"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
"55": null,
"a": null,
"elastic_tensor": null,
"R2": null,
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"ef": null,
"jid": null,
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"M3": null,
"id": null,
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"decomposition": null,
"elasticity": null,
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"axial_distortion": null,
"spillage": null,
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"C2H4 yield (%)": null,
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"mat_id": null,
"formula": null,
"Material Family": null,
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"slme": null,
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"bulk_formula": null,
"concentration": null,
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"Surface Strain": null,
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"gga_gap": null,
"energy": null,
"PM": null,
"spg_symbol": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Country": null,
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"lumo": null,
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"U": null,
"Ca": null,
"X1": null,
"surfaces_key": null,
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"source_id": "mvc-12841",
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"I1b": null,
"avg_max": null,
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"abstract": null,
"m06_scharber_voc": null,
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"goldschmidt_TF_ionic": null,
"Rb": null,
"χpb": null,
"_oqmd_delta_e": null,
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"categories": null,
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"material_id": null,
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"G": null,
"Par": null,
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"symbol": null,
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"mu": null,
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"value": null,
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"H": null,
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"osda smiles": null,
"method": null,
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"wavelength": null,
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"r2": null,
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"natoms": null,
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"at. wt.": null,
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"IF": null,
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"name": null,
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"omega1": null,
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"cycle2": null,
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"offset": null,
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"-log(k), min-1": null,
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"Robs": null,
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"gap": null,
"DT (℃)": null,
"source": null,
"nelements": null,
"chemical_family": null,
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"Co": null,
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"M4": null,
"Cited_Time": null,
"M": null,
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"Tol": null,
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"doi": null,
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"species": null,
"volume": null,
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"efermi": null,
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"a_key": null,
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"CSM": null,
"cycle1": null,
"alpha": null,
"sub_family": null,
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"enthalpy_atom": null,
"exfoliation_energy": null,
"volume_std_0": null,
"Bsite_NdValence_range": null,
"dfpt_piezo_max_dielectric_ionic": null,
"Band_gap_GGA_optical": null,
"furnace length(mm)": null,
"c": null,
"Ru": null,
"Pore Volume (cm3/g)": null,
"scf_vbm": null,
"CO yield (%)": null,
"mT": null,
"report-no": null,
"source_folder": null,
"cellpressure": null,
"initial_atoms": null,
"bader_atomic_volumes": null,
"e_above_hull": null,
"closest_polyhedron": null,
"m06_homo": null,
"pH": null,
"CH4-pressure": null,
"phon_dat": null,
"src": null,
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"Ni": null,
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"Illumination time (min)": null,
"elements": null,
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"cycle5": null,
"Cation4": null,
"Product": null,
"Catalyst/Pollutant mass ratio": null,
"时效时间t (h)": null,
"SBET(m2/g)": null,
"mol_weight": null,
"authors": null,
"versions": null,
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"AH (h)": null,
"bertz_ct_mean_0": null,
"composition": null,
"diel": null,
"C.E. %": null,
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"zpve": null,
"Total flow (mL/min)": null,
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"Year": null,
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"B_O": null,
"PBE_gap": null,
"Normalised Value": null,
"An": null,
"icsd_ids": null,
"pbe0_gap": null,
"FD1": null,
"Am": null,
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"AA": null,
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"Mg": null,
"Power(W)": null,
"µ_B/f.u.": null,
"Perovskite": null,
"Dense2": null,
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"kv": null,
"energy_atom": null,
"Catalyst": null,
"Doping": null,
"Type": null,
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"spacegroup_number": null,
"cycle4": null,
"sigvol": null,
"aurl": null,
"diffrtemp": null,
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"T, oC": null,
"poisson": null,
"Preparation method": null,
"Volume": null,
"Light Type": null,
"void_fraction": null,
"ProdRate(μmol/g)": null,
"Al": null,
"Po2": null,
"egap_fit": null,
"La": null,
"Warning_OER.1": null,
"overpotential V": null,
"Facility": null,
"Judge_Hydrothermal": null,
"BandGap(eV)": null,
"Pch4": null,
"unit": null,
"prototype_id": null,
"-V vs. RHE V": null,
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"ff_vac": null,
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"Ionic Radius (angstroms)": null,
"pbe0_homo": null,
"CH4 Conv(%)": null,
"band_gap_dir": null,
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"axes_mean_0": null,
"Polymer, % wt.": null,
"Resource": null,
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"search": null,
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"Si": null,
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"OH": null,
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"A site #2": null,
"year": null,
"U0": null
} | simple | In a tabular data structure, locate the cells that meet the requirements. | Return the source identifier for the compound with total magnetization {}. |
Given PBE and HSE bandgaps of 1.79 eV and 2.64 eV, what is the refractive index (Ref_ind) of the material? | table49 | [
"PBE_gap",
"HSE_gap",
"Ref_ind"
]
| [
"PBE_gap",
"HSE_gap"
]
| [
"Ref_ind"
]
| {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"file": null,
"jid": null,
"id": null,
"source_id": null,
"DOI": null,
"bulk_formula": null,
"species": null,
"enthalpy_formation_298K": null,
"chem_pot": null,
"Total flow (mL/min)": null,
"Temp. (℃)": null,
"CH4 conversion (%)": null,
"formula": null,
"formula_energy": null,
"Ra": null,
"ρa": null,
"RH2(µmol h-1 g-1)": null,
"Preparation method": null,
"Calcination temperature(K)": null,
"Temperature": null,
"PBE_decomp_energy": null,
"Log_fom": null,
"e_above_hull": null,
"elements": null,
"density": null,
"optb88vdw_vbm": null,
"offset": null,
"compound": null,
"chemical_family": null,
"magmom_oszicar": null,
"M1": null,
"Par": null,
"Type": null,
"Solvent, % vol.": null,
"exfoliation_energy_per_atom": null,
"bandgap": null,
"sentence": null,
"composition": null,
"mT": null,
"goldschmidt_TF_ionic": null,
"Preparation": null,
"COx": null,
"Support": null,
"C2 selectivity (%)": null,
"A mole": null,
"M": null,
"location": null,
"Surface area (m2/g)": null,
"Pore Volume (cm3/g)": null,
"Degradation efficiency (%)": null,
"e_hull": null,
"mu_b": null,
"Molecular formulas": null,
"SSA (m2 g -1 )": null,
"SMILES_relaxed": null,
"mu": null,
"max_co2_adsp": null,
"spg_symbol": null,
"OC": null,
"Molecular formula": null,
"Surface Area(m2/g)": null,
"emu/cm^3": null,
"osda smiles": null,
"Photocatalyst(s)": null,
"MOF_Type": null,
"Phase": null,
"C0, mg/L": null,
"pH": null,
"T, oC": null,
"Synthesis time": null,
"Tc": null,
"A site #1": null,
"A site #3": null,
"formation_energy (eV/atom)": null,
"Catalyst label": null,
"Year": null,
"C.E. %": null,
"total_magnetization": null,
"void_fraction": null,
"Perovskite": null,
"name": null,
"efermi": null,
"material_id": null,
"bulk_energy": null,
"ef": null,
"search": null,
"M4": null,
"CO yield (%)": null,
"ReactionType": null,
"Catalyst": null,
"stress": null,
"atoms": null,
"surf_cbm": null,
"title": null,
"CH4-conversion%": null,
"Contact-times": null,
"Ni": null,
"Ca": null,
"CIF_file_name": null,
"pub_year": null,
"X site": null,
"energy_above_hull (meV/atom)": null,
"Material Family": null,
"spg_number": null,
"diel_ion": null,
"src": null,
"spacegroup": null,
"DT (℃)": null,
"Co catalyst": null,
"Material": null,
"Facility": null,
"diel_elec": null,
"homo": null,
"zpve": null,
"H": null,
"Mg": null,
"J.uAcm2_0.80_fromCV": null,
"B": null,
"AA": null,
"surfaces": null,
"reaction_energy": null,
"poisson": null,
"Material Composition": null,
"optb88vdw_cbm": null,
"A site #2": null,
"B site #1": null,
"bulk modulus": null,
"e_form": null,
"ab": null,
"avg_max": null,
"volume": null,
"Other": null,
"OH": null,
"FD2": null,
"wycoff": null,
"symbol": null,
"Dense1": null,
"Ge": null,
"ITQ": null,
"bp86_homo": null,
"bp86_lumo": null,
"bp86_gap": null,
"A": null,
"Bn": null,
"Formation_E": null,
"final_energy": null,
"I, mW/cm2": null,
"D, g/L": null,
"Base": null,
"Dope": null,
"Temp (oC)": null,
"CO2 yield (%)": null,
"pld": null,
"surface_area_m2g": null,
"Number of elements": null,
"χpa": null,
"EAb": null,
"sub_family": null,
"A_AtimicN": null,
"surfaces_key": null,
"MetalPart": null,
"submitter": null,
"m06_homo": null,
"m06_lumo": null,
"Atomic Radius (Å)": null,
"mat_id": null,
"SMILES": null,
"initial_atoms": null,
"goldschmidt_TF": null,
"I1a": null,
"Ra/Rb": null,
"t": null,
"_oqmd_band_gap": null,
"Solvent type": null,
"Polymer Mwt, kDa": null,
"Surfactant type": null,
"C2H6 yield(%)": null,
"H2O(g)": null,
"shear_modulus_gv": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"elastic anisotropy": null,
"Pch4": null,
"Po2": null,
"ICSD_number": null,
"ff_vac": null,
"SBET (m2 /g)": null,
"Tol": null,
"HSE_latt_const": null,
"spg": null,
"pbe0_gap": null,
"surface_area_m2cm3": null,
"Symbol": null,
"FD1": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"BandGap(eV)": null,
"Full Name of Perovskite": null,
"A site": null,
"cycle3": null,
"CH4/O2 (mol/mol)": null,
"PAr (atm)": null,
"Au": null,
"Onset": null,
"b": null,
"b_key": null,
"func": null,
"Degradation rate(%)": null,
"Pollutant": null,
"Polymer type": null,
"Temperature, C": null,
"Surfactant, % wt.": null,
"co2_absp": null,
"SNUMAT_id": null,
"Magnetic_ordering": null,
"G": null,
"Materials": null,
"Eg(eV)": null,
"Composition": null,
"asphericity_mean_0": null,
"atom_en": null,
"ab_key": null,
"C2 yield (%)": null,
"CO yield(%)": null,
"band_gap_dir": null,
"cycle5": null,
"A_O": null,
"B_O": null,
"Ca ion, mM": null,
"Dopant": null,
"Dopant/Ti mole ratio": null,
"Illumination time(min)": null,
"label": null,
"energy_per_atom": null,
"f_enp": null,
"formation_energy_peratom": null,
"authors": null,
"update_date": null,
"alpha": null,
"M1_atom_number": null,
"M2": null,
"CO2y": null,
"A_AtomN": null,
"Cn": null,
"Bi type in photocatalyst": null,
"light source": null,
"Reaction medium": null,
"Pt": null,
"Ru": null,
"shear modulus": null,
"gap pbe": null,
"Journal_Name": null,
"optb88vdw_bandgap": null,
"Mn": null,
"Fe": null,
"min_co2_adsp": null,
"lcd": null,
"co2_pressures": null,
"exfoliation_energy": null,
"BCCmagmom": null,
"emu/g": null,
"_oqmd_stability": null,
"A_Tm": null,
"lumo": null,
"La": null,
"a": null,
"Rb": null,
"prototype_id": null,
"Ref": null,
"Support_ID": null,
"CO2s": null,
"Country": null,
"_oqmd_delta_e": null,
"Cation1": null,
"O2-pressure": null,
"gga_gap": null,
"-log(k), min-1": null,
"doi": null,
"inchi": null,
"PM": null,
"CT (℃)": null,
"categories": null,
"journal-ref": null,
"A2 site": null,
"B2 site": null,
"Duration of cycles (h)": null,
"EnergyAboveHull": null,
"Bsite_NdValence_range": null,
"defective_energy": null,
"CH4-pressure": null,
"I1b": null,
"C2H4 yield(%)": null,
"Calcination time(h)": null,
"icsd_ids": null,
"ρb": null,
"B_Tb": null,
"_oqmd_entry_id": null,
"HSE_gap": "2.64",
"Substrates": null,
"γ＇相尺寸 (nm)": null,
"时效时间t (h)": null,
"EAa": null,
"Illumination time (min)": null,
"B_Tm": null,
"crystal_system": null,
"spacegroup_symbol": null,
"PBE_latt_const": null,
"时效温度T (℃)": null,
"固溶时间t (h)": null,
"M3": null,
"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"report-no": null,
"A1": null,
"SBET(m2/g)": null,
"octahedral_factor": null,
"MetalRatio": null,
"O2 Conv. (%)": null,
"M3 (wt%)": null,
"indir_gap": null,
"source_folder": null,
"natoms": null,
"Exp": null,
"E_AtomN": null,
"Indirect_Band": null,
"Volume": null,
"Lattice": null,
"D": null,
"paper_number": null,
"Ln_ion": null,
"CO3 ion, mM": null,
"Stirring, rpm": null,
"Co": null,
"Code": null,
"Anion1": null,
"Cation2": null,
"hse_gap": null,
"pretty_formula": null,
"scf_vbm": null,
"χpb": null,
"HOMO": null,
"LUMO": null,
"egap": null,
"Acid_OVP": null,
"Formation_energy": null,
"max_ir_mode": null,
"Space_group_rlx": null,
"C missing(%)": null,
"Resource": null,
"B site": null,
"authors_parsed": null,
"oxide_type": null,
"Rh": null,
"similarity": null,
"surf_vbm": null,
"A/m": null,
"CO2 yield(%)": null,
"unit_cell_formula": null,
"nsites": null,
"HSE_decomp_energy": null,
"diel_tot": null,
"bulk_modulus_kv": null,
"m06_gap": null,
"AH (h)": null,
"spacegroup_number": null,
"scf_cbm": null,
"J.uAcm2_0.63_initialCA": null,
"total": null,
"Dn": null,
"Cation4-mol": null,
"A_Tb": null,
"net_magmom": null,
"source": null,
"Calcination temperature(°C)": null,
"Ti": null,
"固溶温度T (℃)": null,
"hubbards": null,
"HF": null,
"HCO3 ion, mM": null,
"kA/m": null,
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"Al": null,
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"cycle2": null,
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"Extracted Units": null,
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"Si": null,
"J.uAcm2_0.63_secondCA": null,
"U0": null,
"PBE_gap": "1.79",
"C2y": null,
"H2O": null,
"Anion2": null,
"C2selec": null,
"gyration_radius_mean_0": null,
"bader_net_charges": null,
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"In": null,
"WeigthMetalLoading": null,
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"En": null,
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"Zeo2": null,
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"gap": null,
"Multiphase": null,
"Electric field": null,
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"CSM": null,
"axial_distortion": null,
"O2 Conv(%)": null,
"Band_gap_GGA_optical": null,
"Band_gap_HSE_optical": null,
"pbe0_lumo": null,
"C2-yield-class": null,
"Synthesis_Time": null,
"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
"10": null,
"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
"55": null,
"a": null,
"elastic_tensor": null,
"R2": null,
"energy_per_atom": null,
"Acid_OVP": null,
"ef": null,
"jid": null,
"material_type": null,
"M3": null,
"id": null,
"A_Tm": null,
"Light intensity(W)": null,
"O2-pressure": null,
"Ref_ind": "2.26",
"decomposition": null,
"elasticity": null,
"final_energy": null,
"axial_distortion": null,
"spillage": null,
"Surfactant type": null,
"total_magnetization": null,
"A m^2/kg": null,
"octahedral_factor_ionic": null,
"Cation3-mol": null,
"M2": null,
"B": null,
"ρb": null,
"energy_corrected": null,
"Antibiotic dosage (mg/L)": null,
"e_form": null,
"CT (℃)": null,
"lcd": null,
"nat": null,
"I, mW/cm2": null,
"RH2(µmol h-1 g-1)": null,
"X": null,
"°C": null,
"inertial_shape_factor_std_0": null,
"total": null,
"OC": null,
"Ca ion, mM": null,
"X site": null,
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"exfoliation_energy_per_atom": null,
"pld": null,
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"similarity": null,
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"spacegroup": null,
"C2H4 yield (%)": null,
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"mat_id": null,
"formula": null,
"Material Family": null,
"shear modulus": null,
"slme": null,
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"concentration": null,
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"Surface Strain": null,
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"gga_gap": null,
"energy": null,
"PM": null,
"spg_symbol": null,
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"Country": null,
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"lumo": null,
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"U": null,
"Ca": null,
"X1": null,
"surfaces_key": null,
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"I1b": null,
"avg_max": null,
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"slope_CSM": null,
"Support": null,
"abstract": null,
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"ReactionE": null,
"Modulus of Elasticity 10³ Mpa": null,
"e_phase_separation": null,
"bandgap": null,
"HOMO": null,
"goldschmidt_TF_ionic": null,
"Rb": null,
"χpb": null,
"_oqmd_delta_e": null,
"Temperature, C": null,
"categories": null,
"CH4/O2 ratio": null,
"spg_number": null,
"material_id": null,
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"G": null,
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"Direct_or_indirect": null,
"symbol": null,
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"Indexed_Date": null,
"nsites": null,
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"Pt": null,
"reaction_energy": null,
"mu": null,
"Illumination time(min)": null,
"value": null,
"CO3 ion, mM": null,
"co2_pressures": null,
"Direct_or_indirect_HSE": null,
"H": null,
"EAa": null,
"CH4Ead": null,
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"osda smiles": null,
"method": null,
"Tc": null,
"wavelength": null,
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"r2": null,
"total_mag": null,
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"K": null,
"homo": null,
"A_B": null,
"HCO3 ion, mM": null,
"band_gap": null,
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"C2y": null,
"vol": null,
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"natoms": null,
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"func": null,
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"license": null,
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"band_gap_ind": null,
"Yield (μmol/g/h)": null,
"Base": null,
"Au": null,
"scf_cbm": null,
"bulk modulus": null,
"optb88vdw_cbm": null,
"Alloying": null,
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"_oqmd_entry_id": null,
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"at. wt.": null,
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"comments": null,
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"t": null,
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"title": null,
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"min_co2_adsp": null,
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"location": null,
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"IF": null,
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"topology": null,
"Temperature": null,
"name": null,
"Ref.": null,
"_oqmd_stability": null,
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"omega1": null,
"bulk_modulus_kv": null,
"cycle2": null,
"diel_tot": null,
"Dope": null,
"COx": null,
"bulk_energy": null,
"Calcination temperature(K)": null,
"offset": null,
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"EAb": null,
"-log(k), min-1": null,
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"Robs": null,
"Eg(eV)": null,
"Journal_Name": null,
"gap": null,
"DT (℃)": null,
"source": null,
"nelements": null,
"chemical_family": null,
"B_Tm": null,
"_oqmd_band_gap": null,
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"时效温度T (℃)": null,
"Ra/Rb": null,
"C2 selectivity (%)": null,
"Degradation efficiency (%)": null,
"journal-ref": null,
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"stress": null,
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"max_co2_adsp": null,
"Co": null,
"energy_above_hull (meV/atom)": null,
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"SSA (m2 g -1 )": null,
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"formal_charge": null,
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"formation_energy (eV/atom)": null,
"dos_ef": null,
"PBE_mix_energy": null,
"cycle3": null,
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"surf_vbm": null,
"M4": null,
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"doi": null,
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"species": null,
"volume": null,
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"efermi": null,
"Ra": null,
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"a_key": null,
"CH4/O2 (mol/mol)": null,
"CSM": null,
"cycle1": null,
"alpha": null,
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"SMILES_relaxed": null,
"enthalpy_atom": null,
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"Bsite_NdValence_range": null,
"dfpt_piezo_max_dielectric_ionic": null,
"Band_gap_GGA_optical": null,
"furnace length(mm)": null,
"c": null,
"Ru": null,
"Pore Volume (cm3/g)": null,
"scf_vbm": null,
"CO yield (%)": null,
"mT": null,
"report-no": null,
"source_folder": null,
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"bader_atomic_volumes": null,
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"m06_homo": null,
"pH": null,
"CH4-pressure": null,
"phon_dat": null,
"src": null,
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"indir_gap": null,
"Ni": null,
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"Reactor_Volume": null,
"Illumination time (min)": null,
"elements": null,
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"cycle5": null,
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"Product": null,
"Catalyst/Pollutant mass ratio": null,
"时效时间t (h)": null,
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"mol_weight": null,
"authors": null,
"versions": null,
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"full_formula": null,
"AH (h)": null,
"bertz_ct_mean_0": null,
"composition": null,
"diel": null,
"C.E. %": null,
"Synthesis time": null,
"bp86_homo": null,
"zpve": null,
"Total flow (mL/min)": null,
"Duration of cycles (h)": null,
"update_date": null,
"Year": null,
"Polymer type": null,
"B_O": null,
"PBE_gap": null,
"Normalised Value": null,
"An": null,
"icsd_ids": null,
"pbe0_gap": null,
"FD1": null,
"Am": null,
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"Mg": null,
"Power(W)": null,
"µ_B/f.u.": null,
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"Dense2": null,
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"kv": null,
"energy_atom": null,
"Catalyst": null,
"Doping": null,
"Type": null,
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"sigvol": null,
"aurl": null,
"diffrtemp": null,
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"poisson": null,
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"Volume": null,
"Light Type": null,
"void_fraction": null,
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"Al": null,
"Po2": null,
"egap_fit": null,
"La": null,
"Warning_OER.1": null,
"overpotential V": null,
"Facility": null,
"Judge_Hydrothermal": null,
"BandGap(eV)": null,
"Pch4": null,
"unit": null,
"prototype_id": null,
"-V vs. RHE V": null,
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"ff_vac": null,
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"spg": null,
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"CH4 Conv(%)": null,
"band_gap_dir": null,
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"axes_mean_0": null,
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"Resource": null,
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"Additional": null,
"search": null,
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"Si": null,
"C2s": null,
"OH": null,
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"co2_absp": null,
"CIF_file_name": null,
"HSE_decomp_energy": null,
"A site #2": null,
"year": null,
"U0": null
} | complex | In a tabular data structure, locate the cells that meet the requirements. | Given PBE and HSE bandgaps of {} eV and {} eV, what is the refractive index (Ref_ind) of the material? |
Which perovskite material has a value of LaNiO3 in feature 10? | table14 | [
"Perovskite",
"10"
]
| [
"Perovskite"
]
| [
"10"
]
| {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"file": null,
"jid": null,
"id": null,
"source_id": null,
"DOI": null,
"bulk_formula": null,
"species": null,
"enthalpy_formation_298K": null,
"chem_pot": null,
"Total flow (mL/min)": null,
"Temp. (℃)": null,
"CH4 conversion (%)": null,
"formula": null,
"formula_energy": null,
"Ra": null,
"ρa": null,
"RH2(µmol h-1 g-1)": null,
"Preparation method": null,
"Calcination temperature(K)": null,
"Temperature": null,
"PBE_decomp_energy": null,
"Log_fom": null,
"e_above_hull": null,
"elements": null,
"density": null,
"optb88vdw_vbm": null,
"offset": null,
"compound": null,
"chemical_family": null,
"magmom_oszicar": null,
"M1": null,
"Par": null,
"Type": null,
"Solvent, % vol.": null,
"exfoliation_energy_per_atom": null,
"bandgap": null,
"sentence": null,
"composition": null,
"mT": null,
"goldschmidt_TF_ionic": null,
"Preparation": null,
"COx": null,
"Support": null,
"C2 selectivity (%)": null,
"A mole": null,
"M": null,
"location": null,
"Surface area (m2/g)": null,
"Pore Volume (cm3/g)": null,
"Degradation efficiency (%)": null,
"e_hull": null,
"mu_b": null,
"Molecular formulas": null,
"SSA (m2 g -1 )": null,
"SMILES_relaxed": null,
"mu": null,
"max_co2_adsp": null,
"spg_symbol": null,
"OC": null,
"Molecular formula": null,
"Surface Area(m2/g)": null,
"emu/cm^3": null,
"osda smiles": null,
"Photocatalyst(s)": null,
"MOF_Type": null,
"Phase": null,
"C0, mg/L": null,
"pH": null,
"T, oC": null,
"Synthesis time": null,
"Tc": null,
"A site #1": null,
"A site #3": null,
"formation_energy (eV/atom)": null,
"Catalyst label": null,
"Year": null,
"C.E. %": null,
"total_magnetization": null,
"void_fraction": null,
"Perovskite": "LaNiO3",
"name": null,
"efermi": null,
"material_id": null,
"bulk_energy": null,
"ef": null,
"search": null,
"M4": null,
"CO yield (%)": null,
"ReactionType": null,
"Catalyst": null,
"stress": null,
"atoms": null,
"surf_cbm": null,
"title": null,
"CH4-conversion%": null,
"Contact-times": null,
"Ni": null,
"Ca": null,
"CIF_file_name": null,
"pub_year": null,
"X site": null,
"energy_above_hull (meV/atom)": null,
"Material Family": null,
"spg_number": null,
"diel_ion": null,
"src": null,
"spacegroup": null,
"DT (℃)": null,
"Co catalyst": null,
"Material": null,
"Facility": null,
"diel_elec": null,
"homo": null,
"zpve": null,
"H": null,
"Mg": null,
"J.uAcm2_0.80_fromCV": null,
"B": null,
"AA": null,
"surfaces": null,
"reaction_energy": null,
"poisson": null,
"Material Composition": null,
"optb88vdw_cbm": null,
"A site #2": null,
"B site #1": null,
"bulk modulus": null,
"e_form": null,
"ab": null,
"avg_max": null,
"volume": null,
"Other": null,
"OH": null,
"FD2": null,
"wycoff": null,
"symbol": null,
"Dense1": null,
"Ge": null,
"ITQ": null,
"bp86_homo": null,
"bp86_lumo": null,
"bp86_gap": null,
"A": null,
"Bn": null,
"Formation_E": null,
"final_energy": null,
"I, mW/cm2": null,
"D, g/L": null,
"Base": null,
"Dope": null,
"Temp (oC)": null,
"CO2 yield (%)": null,
"pld": null,
"surface_area_m2g": null,
"Number of elements": null,
"χpa": null,
"EAb": null,
"sub_family": null,
"A_AtimicN": null,
"surfaces_key": null,
"MetalPart": null,
"submitter": null,
"m06_homo": null,
"m06_lumo": null,
"Atomic Radius (Å)": null,
"mat_id": null,
"SMILES": null,
"initial_atoms": null,
"goldschmidt_TF": null,
"I1a": null,
"Ra/Rb": null,
"t": null,
"_oqmd_band_gap": null,
"Solvent type": null,
"Polymer Mwt, kDa": null,
"Surfactant type": null,
"C2H6 yield(%)": null,
"H2O(g)": null,
"shear_modulus_gv": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"elastic anisotropy": null,
"Pch4": null,
"Po2": null,
"ICSD_number": null,
"ff_vac": null,
"SBET (m2 /g)": null,
"Tol": null,
"HSE_latt_const": null,
"spg": null,
"pbe0_gap": null,
"surface_area_m2cm3": null,
"Symbol": null,
"FD1": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"BandGap(eV)": null,
"Full Name of Perovskite": null,
"A site": null,
"cycle3": null,
"CH4/O2 (mol/mol)": null,
"PAr (atm)": null,
"Au": null,
"Onset": null,
"b": null,
"b_key": null,
"func": null,
"Degradation rate(%)": null,
"Pollutant": null,
"Polymer type": null,
"Temperature, C": null,
"Surfactant, % wt.": null,
"co2_absp": null,
"SNUMAT_id": null,
"Magnetic_ordering": null,
"G": null,
"Materials": null,
"Eg(eV)": null,
"Composition": null,
"asphericity_mean_0": null,
"atom_en": null,
"ab_key": null,
"C2 yield (%)": null,
"CO yield(%)": null,
"band_gap_dir": null,
"cycle5": null,
"A_O": null,
"B_O": null,
"Ca ion, mM": null,
"Dopant": null,
"Dopant/Ti mole ratio": null,
"Illumination time(min)": null,
"label": null,
"energy_per_atom": null,
"f_enp": null,
"formation_energy_peratom": null,
"authors": null,
"update_date": null,
"alpha": null,
"M1_atom_number": null,
"M2": null,
"CO2y": null,
"A_AtomN": null,
"Cn": null,
"Bi type in photocatalyst": null,
"light source": null,
"Reaction medium": null,
"Pt": null,
"Ru": null,
"shear modulus": null,
"gap pbe": null,
"Journal_Name": null,
"optb88vdw_bandgap": null,
"Mn": null,
"Fe": null,
"min_co2_adsp": null,
"lcd": null,
"co2_pressures": null,
"exfoliation_energy": null,
"BCCmagmom": null,
"emu/g": null,
"_oqmd_stability": null,
"A_Tm": null,
"lumo": null,
"La": null,
"a": null,
"Rb": null,
"prototype_id": null,
"Ref": null,
"Support_ID": null,
"CO2s": null,
"Country": null,
"_oqmd_delta_e": null,
"Cation1": null,
"O2-pressure": null,
"gga_gap": null,
"-log(k), min-1": null,
"doi": null,
"inchi": null,
"PM": null,
"CT (℃)": null,
"categories": null,
"journal-ref": null,
"A2 site": null,
"B2 site": null,
"Duration of cycles (h)": null,
"EnergyAboveHull": null,
"Bsite_NdValence_range": null,
"defective_energy": null,
"CH4-pressure": null,
"I1b": null,
"C2H4 yield(%)": null,
"Calcination time(h)": null,
"icsd_ids": null,
"ρb": null,
"B_Tb": null,
"_oqmd_entry_id": null,
"HSE_gap": null,
"Substrates": null,
"γ＇相尺寸 (nm)": null,
"时效时间t (h)": null,
"EAa": null,
"Illumination time (min)": null,
"B_Tm": null,
"crystal_system": null,
"spacegroup_symbol": null,
"PBE_latt_const": null,
"时效温度T (℃)": null,
"固溶时间t (h)": null,
"M3": null,
"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"report-no": null,
"A1": null,
"SBET(m2/g)": null,
"octahedral_factor": null,
"MetalRatio": null,
"O2 Conv. (%)": null,
"M3 (wt%)": null,
"indir_gap": null,
"source_folder": null,
"natoms": null,
"Exp": null,
"E_AtomN": null,
"Indirect_Band": null,
"Volume": null,
"Lattice": null,
"D": null,
"paper_number": null,
"Ln_ion": null,
"CO3 ion, mM": null,
"Stirring, rpm": null,
"Co": null,
"Code": null,
"Anion1": null,
"Cation2": null,
"hse_gap": null,
"pretty_formula": null,
"scf_vbm": null,
"χpb": null,
"HOMO": null,
"LUMO": null,
"egap": null,
"Acid_OVP": null,
"Formation_energy": null,
"max_ir_mode": null,
"Space_group_rlx": null,
"C missing(%)": null,
"Resource": null,
"B site": null,
"authors_parsed": null,
"oxide_type": null,
"Rh": null,
"similarity": null,
"surf_vbm": null,
"A/m": null,
"CO2 yield(%)": null,
"unit_cell_formula": null,
"nsites": null,
"HSE_decomp_energy": null,
"diel_tot": null,
"bulk_modulus_kv": null,
"m06_gap": null,
"AH (h)": null,
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"total": null,
"Dn": null,
"Cation4-mol": null,
"A_Tb": null,
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"source": null,
"Calcination temperature(°C)": null,
"Ti": null,
"固溶温度T (℃)": null,
"hubbards": null,
"HF": null,
"HCO3 ion, mM": null,
"kA/m": null,
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"Al": null,
"bp86_scharber_pce": null,
"Cv": null,
"cycle2": null,
"Functionalization": null,
"Eps_elec": null,
"Extracted Value": null,
"Extracted Units": null,
"C_AtomN": null,
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"R2": null,
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"Bsite_NsUnfilled_range": null,
"pbe0_scharber_voc": null,
"SDA": null,
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"J.uAcm2_0.63_secondCA": null,
"U0": null,
"PBE_gap": null,
"C2y": null,
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"C2selec": null,
"gyration_radius_mean_0": null,
"bader_net_charges": null,
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"In": null,
"WeigthMetalLoading": null,
"auid": null,
"material_type": null,
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"En": null,
"Wave length(<nm)": null,
"Light Type": null,
"Zeo2": null,
"Y": null,
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"MR2": null,
"Structure": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Cited_Time": null,
"gv": null,
"value": null,
"omega1": null,
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"gap": null,
"Multiphase": null,
"Electric field": null,
"C2 yield(%)": null,
"CSM": null,
"axial_distortion": null,
"O2 Conv(%)": null,
"Band_gap_GGA_optical": null,
"Band_gap_HSE_optical": null,
"pbe0_lumo": null,
"C2-yield-class": null,
"Synthesis_Time": null,
"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
"10": "-0.03765",
"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
"55": null,
"a": null,
"elastic_tensor": null,
"R2": null,
"energy_per_atom": null,
"Acid_OVP": null,
"ef": null,
"jid": null,
"material_type": null,
"M3": null,
"id": null,
"A_Tm": null,
"Light intensity(W)": null,
"O2-pressure": null,
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"decomposition": null,
"elasticity": null,
"final_energy": null,
"axial_distortion": null,
"spillage": null,
"Surfactant type": null,
"total_magnetization": null,
"A m^2/kg": null,
"octahedral_factor_ionic": null,
"Cation3-mol": null,
"M2": null,
"B": null,
"ρb": null,
"energy_corrected": null,
"Antibiotic dosage (mg/L)": null,
"e_form": null,
"CT (℃)": null,
"lcd": null,
"nat": null,
"I, mW/cm2": null,
"RH2(µmol h-1 g-1)": null,
"X": null,
"°C": null,
"inertial_shape_factor_std_0": null,
"total": null,
"OC": null,
"Ca ion, mM": null,
"X site": null,
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"exfoliation_energy_per_atom": null,
"pld": null,
"surf_en": null,
"similarity": null,
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"spacegroup": null,
"C2H4 yield (%)": null,
"Mainproduct": null,
"mat_id": null,
"formula": null,
"Material Family": null,
"shear modulus": null,
"slme": null,
"formula_energy": null,
"Substrates": null,
"J.uAcm2_0.63_initialCA": null,
"bulk_formula": null,
"concentration": null,
"B site #3": null,
"Surface Strain": null,
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"gga_gap": null,
"energy": null,
"PM": null,
"spg_symbol": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Country": null,
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"lumo": null,
"coordination_number": null,
"U": null,
"Ca": null,
"X1": null,
"surfaces_key": null,
"optb88vdw_bandgap": null,
"EnergyAboveHull": null,
"optb88vdw_vbm": null,
"date": null,
"Number of elements": null,
"gap pbe": null,
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"activation_energy": null,
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"formation_energy_peratom": null,
"defective_energy": null,
"Time": null,
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"CH3Ead": null,
"source_id": null,
"M1": null,
"final_atoms": null,
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"I1b": null,
"avg_max": null,
"Photocatalyst dose(g L-1)": null,
"slope_CSM": null,
"Support": null,
"abstract": null,
"m06_scharber_voc": null,
"ReactionE": null,
"Modulus of Elasticity 10³ Mpa": null,
"e_phase_separation": null,
"bandgap": null,
"HOMO": null,
"goldschmidt_TF_ionic": null,
"Rb": null,
"χpb": null,
"_oqmd_delta_e": null,
"Temperature, C": null,
"categories": null,
"CH4/O2 ratio": null,
"spg_number": null,
"material_id": null,
"b3lyp_scharber_pce": null,
"goldschmidt_TF": null,
"G": null,
"Par": null,
"Direct_or_indirect": null,
"symbol": null,
"loading (g/l)": null,
"Indexed_Date": null,
"nsites": null,
"ref": null,
"pbe0_description": null,
"MP (K)": null,
"HSE_mix_energy": null,
"enthalpy_formation_0K": null,
"CatW(g/L)": null,
"B site #1": null,
"C2 yield (%)": null,
"Pt": null,
"reaction_energy": null,
"mu": null,
"Illumination time(min)": null,
"value": null,
"CO3 ion, mM": null,
"co2_pressures": null,
"Direct_or_indirect_HSE": null,
"H": null,
"EAa": null,
"CH4Ead": null,
"A2 site": null,
"osda smiles": null,
"method": null,
"Tc": null,
"wavelength": null,
"wycoff": null,
"C0, mg/L": null,
"ab": null,
"r2": null,
"total_mag": null,
"D, g/L": null,
"K": null,
"homo": null,
"A_B": null,
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"band_gap": null,
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"C2y": null,
"vol": null,
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"natoms": null,
"crystal_system": null,
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"func": null,
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"license": null,
"ReactionType": null,
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"band_gap_ind": null,
"Yield (μmol/g/h)": null,
"Base": null,
"Au": null,
"scf_cbm": null,
"bulk modulus": null,
"optb88vdw_cbm": null,
"Alloying": null,
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"_oqmd_entry_id": null,
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"J.uAcm2_0.63_secondCA": null,
"atom_en": null,
"shear_modulus_gv": null,
"at. wt.": null,
"spacegroup_symbol": null,
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"comments": null,
"CIF_type": null,
"label": null,
"ρa": null,
"t": null,
"Cv": null,
"ZPVE": null,
"title": null,
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"min_co2_adsp": null,
"PBE_latt_const": null,
"location": null,
"surface_area_m2g": null,
"vac_dat": null,
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"mu_b": null,
"magmom_oszicar": null,
"sgNumber": null,
"IF": null,
"Anion2-mol": null,
"atoms": null,
"chem_pot": null,
"topology": null,
"Temperature": null,
"name": null,
"Ref.": null,
"_oqmd_stability": null,
"authors_parsed": null,
"omega1": null,
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"cycle2": null,
"diel_tot": null,
"Dope": null,
"COx": null,
"bulk_energy": null,
"Calcination temperature(K)": null,
"offset": null,
"Space_group_rlx": null,
"EAb": null,
"-log(k), min-1": null,
"PBE_decomp_energy": null,
"Robs": null,
"Eg(eV)": null,
"Journal_Name": null,
"gap": null,
"DT (℃)": null,
"source": null,
"nelements": null,
"chemical_family": null,
"B_Tm": null,
"_oqmd_band_gap": null,
"Eps_elec": null,
"WeigthMetalLoading": null,
"时效温度T (℃)": null,
"Ra/Rb": null,
"C2 selectivity (%)": null,
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"journal-ref": null,
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"stress": null,
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"max_co2_adsp": null,
"Co": null,
"energy_above_hull (meV/atom)": null,
"Surface Area(m2/g)": null,
"B_Tb": null,
"SSA (m2 g -1 )": null,
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"formal_charge": null,
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"formation_energy (eV/atom)": null,
"dos_ef": null,
"PBE_mix_energy": null,
"cycle3": null,
"PAr (atm)": null,
"surf_vbm": null,
"M4": null,
"Cited_Time": null,
"M": null,
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"NH2": null,
"En": null,
"E_AtomN": null,
"Tol": null,
"DOI": null,
"doi": null,
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"enthalpy_formation_298K": null,
"species": null,
"volume": null,
"γ＇相尺寸 (nm)": null,
"ΔfusHa": null,
"efermi": null,
"Ra": null,
"C2-selectivity": null,
"a_key": null,
"CH4/O2 (mol/mol)": null,
"CSM": null,
"cycle1": null,
"alpha": null,
"sub_family": null,
"SMILES_relaxed": null,
"enthalpy_atom": null,
"exfoliation_energy": null,
"volume_std_0": null,
"Bsite_NdValence_range": null,
"dfpt_piezo_max_dielectric_ionic": null,
"Band_gap_GGA_optical": null,
"furnace length(mm)": null,
"c": null,
"Ru": null,
"Pore Volume (cm3/g)": null,
"scf_vbm": null,
"CO yield (%)": null,
"mT": null,
"report-no": null,
"source_folder": null,
"cellpressure": null,
"initial_atoms": null,
"bader_atomic_volumes": null,
"e_above_hull": null,
"closest_polyhedron": null,
"m06_homo": null,
"pH": null,
"CH4-pressure": null,
"phon_dat": null,
"src": null,
"Material": null,
"indir_gap": null,
"Ni": null,
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"Reactor_Volume": null,
"Illumination time (min)": null,
"elements": null,
"Lattice": null,
"cycle5": null,
"Cation4": null,
"Product": null,
"Catalyst/Pollutant mass ratio": null,
"时效时间t (h)": null,
"SBET(m2/g)": null,
"mol_weight": null,
"authors": null,
"versions": null,
"Stirring, rpm": null,
"full_formula": null,
"AH (h)": null,
"bertz_ct_mean_0": null,
"composition": null,
"diel": null,
"C.E. %": null,
"Synthesis time": null,
"bp86_homo": null,
"zpve": null,
"Total flow (mL/min)": null,
"Duration of cycles (h)": null,
"update_date": null,
"Year": null,
"Polymer type": null,
"B_O": null,
"PBE_gap": null,
"Normalised Value": null,
"An": null,
"icsd_ids": null,
"pbe0_gap": null,
"FD1": null,
"Am": null,
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"AA": null,
"Cation3": null,
"Magnetic_ordering": null,
"Mg": null,
"Power(W)": null,
"µ_B/f.u.": null,
"Perovskite": null,
"Dense2": null,
"Am^2/kg": null,
"kv": null,
"energy_atom": null,
"Catalyst": null,
"Doping": null,
"Type": null,
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"spacegroup_number": null,
"cycle4": null,
"sigvol": null,
"aurl": null,
"diffrtemp": null,
"formation_energy_per_atom": null,
"T, oC": null,
"poisson": null,
"Preparation method": null,
"Volume": null,
"Light Type": null,
"void_fraction": null,
"ProdRate(μmol/g)": null,
"Al": null,
"Po2": null,
"egap_fit": null,
"La": null,
"Warning_OER.1": null,
"overpotential V": null,
"Facility": null,
"Judge_Hydrothermal": null,
"BandGap(eV)": null,
"Pch4": null,
"unit": null,
"prototype_id": null,
"-V vs. RHE V": null,
"unit_cell_formula": null,
"ff_vac": null,
"b3lyp_scharber_jsc": null,
"spg": null,
"Band_gap_HSE_optical": null,
"Ionic Radius (angstroms)": null,
"pbe0_homo": null,
"CH4 Conv(%)": null,
"band_gap_dir": null,
"pub_year": null,
"axes_mean_0": null,
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"Resource": null,
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"Additional": null,
"search": null,
"Reaction solution": null,
"Si": null,
"C2s": null,
"OH": null,
"CH4 conversion (%)": null,
"co2_absp": null,
"CIF_file_name": null,
"HSE_decomp_energy": null,
"A site #2": null,
"year": null,
"U0": null
} | simple | In a tabular data structure, locate the cells that meet the requirements. | Which perovskite material has a value of {} in feature 10? |
What is the total energy per atom for the material with source ID mp-571279 and a bandgap of 0.8628000000000002? | table67 | [
"source_id",
"bandgap",
"energy_per_atom"
]
| [
"source_id",
"bandgap"
]
| [
"energy_per_atom"
]
| {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"file": null,
"jid": null,
"id": null,
"source_id": "mp-571279",
"DOI": null,
"bulk_formula": null,
"species": null,
"enthalpy_formation_298K": null,
"chem_pot": null,
"Total flow (mL/min)": null,
"Temp. (℃)": null,
"CH4 conversion (%)": null,
"formula": null,
"formula_energy": null,
"Ra": null,
"ρa": null,
"RH2(µmol h-1 g-1)": null,
"Preparation method": null,
"Calcination temperature(K)": null,
"Temperature": null,
"PBE_decomp_energy": null,
"Log_fom": null,
"e_above_hull": null,
"elements": null,
"density": null,
"optb88vdw_vbm": null,
"offset": null,
"compound": null,
"chemical_family": null,
"magmom_oszicar": null,
"M1": null,
"Par": null,
"Type": null,
"Solvent, % vol.": null,
"exfoliation_energy_per_atom": null,
"bandgap": "0.8628000000000002",
"sentence": null,
"composition": null,
"mT": null,
"goldschmidt_TF_ionic": null,
"Preparation": null,
"COx": null,
"Support": null,
"C2 selectivity (%)": null,
"A mole": null,
"M": null,
"location": null,
"Surface area (m2/g)": null,
"Pore Volume (cm3/g)": null,
"Degradation efficiency (%)": null,
"e_hull": null,
"mu_b": null,
"Molecular formulas": null,
"SSA (m2 g -1 )": null,
"SMILES_relaxed": null,
"mu": null,
"max_co2_adsp": null,
"spg_symbol": null,
"OC": null,
"Molecular formula": null,
"Surface Area(m2/g)": null,
"emu/cm^3": null,
"osda smiles": null,
"Photocatalyst(s)": null,
"MOF_Type": null,
"Phase": null,
"C0, mg/L": null,
"pH": null,
"T, oC": null,
"Synthesis time": null,
"Tc": null,
"A site #1": null,
"A site #3": null,
"formation_energy (eV/atom)": null,
"Catalyst label": null,
"Year": null,
"C.E. %": null,
"total_magnetization": null,
"void_fraction": null,
"Perovskite": null,
"name": null,
"efermi": null,
"material_id": null,
"bulk_energy": null,
"ef": null,
"search": null,
"M4": null,
"CO yield (%)": null,
"ReactionType": null,
"Catalyst": null,
"stress": null,
"atoms": null,
"surf_cbm": null,
"title": null,
"CH4-conversion%": null,
"Contact-times": null,
"Ni": null,
"Ca": null,
"CIF_file_name": null,
"pub_year": null,
"X site": null,
"energy_above_hull (meV/atom)": null,
"Material Family": null,
"spg_number": null,
"diel_ion": null,
"src": null,
"spacegroup": null,
"DT (℃)": null,
"Co catalyst": null,
"Material": null,
"Facility": null,
"diel_elec": null,
"homo": null,
"zpve": null,
"H": null,
"Mg": null,
"J.uAcm2_0.80_fromCV": null,
"B": null,
"AA": null,
"surfaces": null,
"reaction_energy": null,
"poisson": null,
"Material Composition": null,
"optb88vdw_cbm": null,
"A site #2": null,
"B site #1": null,
"bulk modulus": null,
"e_form": null,
"ab": null,
"avg_max": null,
"volume": null,
"Other": null,
"OH": null,
"FD2": null,
"wycoff": null,
"symbol": null,
"Dense1": null,
"Ge": null,
"ITQ": null,
"bp86_homo": null,
"bp86_lumo": null,
"bp86_gap": null,
"A": null,
"Bn": null,
"Formation_E": null,
"final_energy": null,
"I, mW/cm2": null,
"D, g/L": null,
"Base": null,
"Dope": null,
"Temp (oC)": null,
"CO2 yield (%)": null,
"pld": null,
"surface_area_m2g": null,
"Number of elements": null,
"χpa": null,
"EAb": null,
"sub_family": null,
"A_AtimicN": null,
"surfaces_key": null,
"MetalPart": null,
"submitter": null,
"m06_homo": null,
"m06_lumo": null,
"Atomic Radius (Å)": null,
"mat_id": null,
"SMILES": null,
"initial_atoms": null,
"goldschmidt_TF": null,
"I1a": null,
"Ra/Rb": null,
"t": null,
"_oqmd_band_gap": null,
"Solvent type": null,
"Polymer Mwt, kDa": null,
"Surfactant type": null,
"C2H6 yield(%)": null,
"H2O(g)": null,
"shear_modulus_gv": null,
"b3lyp_homo": null,
"b3lyp_lumo": null,
"b3lyp_gap": null,
"elastic anisotropy": null,
"Pch4": null,
"Po2": null,
"ICSD_number": null,
"ff_vac": null,
"SBET (m2 /g)": null,
"Tol": null,
"HSE_latt_const": null,
"spg": null,
"pbe0_gap": null,
"surface_area_m2cm3": null,
"Symbol": null,
"FD1": null,
"Ref_ind": null,
"PBE_mix_energy": null,
"BandGap(eV)": null,
"Full Name of Perovskite": null,
"A site": null,
"cycle3": null,
"CH4/O2 (mol/mol)": null,
"PAr (atm)": null,
"Au": null,
"Onset": null,
"b": null,
"b_key": null,
"func": null,
"Degradation rate(%)": null,
"Pollutant": null,
"Polymer type": null,
"Temperature, C": null,
"Surfactant, % wt.": null,
"co2_absp": null,
"SNUMAT_id": null,
"Magnetic_ordering": null,
"G": null,
"Materials": null,
"Eg(eV)": null,
"Composition": null,
"asphericity_mean_0": null,
"atom_en": null,
"ab_key": null,
"C2 yield (%)": null,
"CO yield(%)": null,
"band_gap_dir": null,
"cycle5": null,
"A_O": null,
"B_O": null,
"Ca ion, mM": null,
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"alpha": null,
"M1_atom_number": null,
"M2": null,
"CO2y": null,
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"Cn": null,
"Bi type in photocatalyst": null,
"light source": null,
"Reaction medium": null,
"Pt": null,
"Ru": null,
"shear modulus": null,
"gap pbe": null,
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"optb88vdw_bandgap": null,
"Mn": null,
"Fe": null,
"min_co2_adsp": null,
"lcd": null,
"co2_pressures": null,
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"emu/g": null,
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"La": null,
"a": null,
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"prototype_id": null,
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"-log(k), min-1": null,
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"I1b": null,
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"icsd_ids": null,
"ρb": null,
"B_Tb": null,
"_oqmd_entry_id": null,
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"γ＇相尺寸 (nm)": null,
"时效时间t (h)": null,
"EAa": null,
"Illumination time (min)": null,
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"时效温度T (℃)": null,
"固溶时间t (h)": null,
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"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"report-no": null,
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"octahedral_factor": null,
"MetalRatio": null,
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"Exp": null,
"E_AtomN": null,
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"D": null,
"paper_number": null,
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"CO3 ion, mM": null,
"Stirring, rpm": null,
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"Code": null,
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"hse_gap": null,
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"χpb": null,
"HOMO": null,
"LUMO": null,
"egap": null,
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"max_ir_mode": null,
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"Resource": null,
"B site": null,
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"oxide_type": null,
"Rh": null,
"similarity": null,
"surf_vbm": null,
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"diel_tot": null,
"bulk_modulus_kv": null,
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"source": null,
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"Ti": null,
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"hubbards": null,
"HF": null,
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"SDA": null,
"Si": null,
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"PBE_gap": null,
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"gyration_radius_mean_0": null,
"bader_net_charges": null,
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"In": null,
"WeigthMetalLoading": null,
"auid": null,
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"Zeo2": null,
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"MR2": null,
"Structure": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
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"gv": null,
"value": null,
"omega1": null,
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"gap": null,
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"Electric field": null,
"C2 yield(%)": null,
"CSM": null,
"axial_distortion": null,
"O2 Conv(%)": null,
"Band_gap_GGA_optical": null,
"Band_gap_HSE_optical": null,
"pbe0_lumo": null,
"C2-yield-class": null,
"Synthesis_Time": null,
"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
"10": null,
"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
"55": null,
"a": null,
"elastic_tensor": null,
"R2": null,
"energy_per_atom": "-6.031051546666667",
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"ef": null,
"jid": null,
"material_type": null,
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"id": null,
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"Light intensity(W)": null,
"O2-pressure": null,
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"decomposition": null,
"elasticity": null,
"final_energy": null,
"axial_distortion": null,
"spillage": null,
"Surfactant type": null,
"total_magnetization": null,
"A m^2/kg": null,
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"M2": null,
"B": null,
"ρb": null,
"energy_corrected": null,
"Antibiotic dosage (mg/L)": null,
"e_form": null,
"CT (℃)": null,
"lcd": null,
"nat": null,
"I, mW/cm2": null,
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"X": null,
"°C": null,
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"OC": null,
"Ca ion, mM": null,
"X site": null,
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"pld": null,
"surf_en": null,
"similarity": null,
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"spacegroup": null,
"C2H4 yield (%)": null,
"Mainproduct": null,
"mat_id": null,
"formula": null,
"Material Family": null,
"shear modulus": null,
"slme": null,
"formula_energy": null,
"Substrates": null,
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"bulk_formula": null,
"concentration": null,
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"Surface Strain": null,
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"gga_gap": null,
"energy": null,
"PM": null,
"spg_symbol": null,
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"Country": null,
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"lumo": null,
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"U": null,
"Ca": null,
"X1": null,
"surfaces_key": null,
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"EnergyAboveHull": null,
"optb88vdw_vbm": null,
"date": null,
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"gap pbe": null,
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"I1b": null,
"avg_max": null,
"Photocatalyst dose(g L-1)": null,
"slope_CSM": null,
"Support": null,
"abstract": null,
"m06_scharber_voc": null,
"ReactionE": null,
"Modulus of Elasticity 10³ Mpa": null,
"e_phase_separation": null,
"bandgap": null,
"HOMO": null,
"goldschmidt_TF_ionic": null,
"Rb": null,
"χpb": null,
"_oqmd_delta_e": null,
"Temperature, C": null,
"categories": null,
"CH4/O2 ratio": null,
"spg_number": null,
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"G": null,
"Par": null,
"Direct_or_indirect": null,
"symbol": null,
"loading (g/l)": null,
"Indexed_Date": null,
"nsites": null,
"ref": null,
"pbe0_description": null,
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"HSE_mix_energy": null,
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"C2 yield (%)": null,
"Pt": null,
"reaction_energy": null,
"mu": null,
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"value": null,
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"co2_pressures": null,
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"H": null,
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"osda smiles": null,
"method": null,
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"wavelength": null,
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"r2": null,
"total_mag": null,
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"K": null,
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"C2y": null,
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"natoms": null,
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"func": null,
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"Au": null,
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"at. wt.": null,
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"comments": null,
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"label": null,
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"t": null,
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"title": null,
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"vac_dat": null,
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"IF": null,
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"atoms": null,
"chem_pot": null,
"topology": null,
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"name": null,
"Ref.": null,
"_oqmd_stability": null,
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"cycle2": null,
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"offset": null,
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"-log(k), min-1": null,
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"Robs": null,
"Eg(eV)": null,
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"gap": null,
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"source": null,
"nelements": null,
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"species": null,
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"efermi": null,
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"a_key": null,
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"cycle1": null,
"alpha": null,
"sub_family": null,
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"furnace length(mm)": null,
"c": null,
"Ru": null,
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"scf_vbm": null,
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"report-no": null,
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"pH": null,
"CH4-pressure": null,
"phon_dat": null,
"src": null,
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"elements": null,
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"cycle5": null,
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"Product": null,
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"时效时间t (h)": null,
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"mol_weight": null,
"authors": null,
"versions": null,
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"diel": null,
"C.E. %": null,
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"zpve": null,
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"An": null,
"icsd_ids": null,
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"Mg": null,
"Power(W)": null,
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"Dense2": null,
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"kv": null,
"energy_atom": null,
"Catalyst": null,
"Doping": null,
"Type": null,
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"sigvol": null,
"aurl": null,
"diffrtemp": null,
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"Volume": null,
"Light Type": null,
"void_fraction": null,
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"Al": null,
"Po2": null,
"egap_fit": null,
"La": null,
"Warning_OER.1": null,
"overpotential V": null,
"Facility": null,
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"Pch4": null,
"unit": null,
"prototype_id": null,
"-V vs. RHE V": null,
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"year": null,
"U0": null
} | complex | In a tabular data structure, locate the cells that meet the requirements. | What is the total energy per atom for the material with source ID {} and a bandgap of {}? |
Identify the carbon deficit percentage for resource type 2,8 at a furnace length of STD mm. | table27 | [
"C missing(%)",
"Resource",
"furnace length(mm)"
]
| [
"C missing(%)",
"Resource"
]
| [
"furnace length(mm)"
]
| {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"file": null,
"jid": null,
"id": null,
"source_id": null,
"DOI": null,
"bulk_formula": null,
"species": null,
"enthalpy_formation_298K": null,
"chem_pot": null,
"Total flow (mL/min)": null,
"Temp. (℃)": null,
"CH4 conversion (%)": null,
"formula": null,
"formula_energy": null,
"Ra": null,
"ρa": null,
"RH2(µmol h-1 g-1)": null,
"Preparation method": null,
"Calcination temperature(K)": null,
"Temperature": null,
"PBE_decomp_energy": null,
"Log_fom": null,
"e_above_hull": null,
"elements": null,
"density": null,
"optb88vdw_vbm": null,
"offset": null,
"compound": null,
"chemical_family": null,
"magmom_oszicar": null,
"M1": null,
"Par": null,
"Type": null,
"Solvent, % vol.": null,
"exfoliation_energy_per_atom": null,
"bandgap": null,
"sentence": null,
"composition": null,
"mT": null,
"goldschmidt_TF_ionic": null,
"Preparation": null,
"COx": null,
"Support": null,
"C2 selectivity (%)": null,
"A mole": null,
"M": null,
"location": null,
"Surface area (m2/g)": null,
"Pore Volume (cm3/g)": null,
"Degradation efficiency (%)": null,
"e_hull": null,
"mu_b": null,
"Molecular formulas": null,
"SSA (m2 g -1 )": null,
"SMILES_relaxed": null,
"mu": null,
"max_co2_adsp": null,
"spg_symbol": null,
"OC": null,
"Molecular formula": null,
"Surface Area(m2/g)": null,
"emu/cm^3": null,
"osda smiles": null,
"Photocatalyst(s)": null,
"MOF_Type": null,
"Phase": null,
"C0, mg/L": null,
"pH": null,
"T, oC": null,
"Synthesis time": null,
"Tc": null,
"A site #1": null,
"A site #3": null,
"formation_energy (eV/atom)": null,
"Catalyst label": null,
"Year": null,
"C.E. %": null,
"total_magnetization": null,
"void_fraction": null,
"Perovskite": null,
"name": null,
"efermi": null,
"material_id": null,
"bulk_energy": null,
"ef": null,
"search": null,
"M4": null,
"CO yield (%)": null,
"ReactionType": null,
"Catalyst": null,
"stress": null,
"atoms": null,
"surf_cbm": null,
"title": null,
"CH4-conversion%": null,
"Contact-times": null,
"Ni": null,
"Ca": null,
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"pub_year": null,
"X site": null,
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"Material Family": null,
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"diel_ion": null,
"src": null,
"spacegroup": null,
"DT (℃)": null,
"Co catalyst": null,
"Material": null,
"Facility": null,
"diel_elec": null,
"homo": null,
"zpve": null,
"H": null,
"Mg": null,
"J.uAcm2_0.80_fromCV": null,
"B": null,
"AA": null,
"surfaces": null,
"reaction_energy": null,
"poisson": null,
"Material Composition": null,
"optb88vdw_cbm": null,
"A site #2": null,
"B site #1": null,
"bulk modulus": null,
"e_form": null,
"ab": null,
"avg_max": null,
"volume": null,
"Other": null,
"OH": null,
"FD2": null,
"wycoff": null,
"symbol": null,
"Dense1": null,
"Ge": null,
"ITQ": null,
"bp86_homo": null,
"bp86_lumo": null,
"bp86_gap": null,
"A": null,
"Bn": null,
"Formation_E": null,
"final_energy": null,
"I, mW/cm2": null,
"D, g/L": null,
"Base": null,
"Dope": null,
"Temp (oC)": null,
"CO2 yield (%)": null,
"pld": null,
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"submitter": null,
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"m06_lumo": null,
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"mat_id": null,
"SMILES": null,
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"goldschmidt_TF": null,
"I1a": null,
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"t": null,
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"shear_modulus_gv": null,
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"elastic anisotropy": null,
"Pch4": null,
"Po2": null,
"ICSD_number": null,
"ff_vac": null,
"SBET (m2 /g)": null,
"Tol": null,
"HSE_latt_const": null,
"spg": null,
"pbe0_gap": null,
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"Symbol": null,
"FD1": null,
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"cycle3": null,
"CH4/O2 (mol/mol)": null,
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"Au": null,
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"b": null,
"b_key": null,
"func": null,
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"co2_absp": null,
"SNUMAT_id": null,
"Magnetic_ordering": null,
"G": null,
"Materials": null,
"Eg(eV)": null,
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"atom_en": null,
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"CO yield(%)": null,
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"B_O": null,
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"Dopant/Ti mole ratio": null,
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"label": null,
"energy_per_atom": null,
"f_enp": null,
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"authors": null,
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"alpha": null,
"M1_atom_number": null,
"M2": null,
"CO2y": null,
"A_AtomN": null,
"Cn": null,
"Bi type in photocatalyst": null,
"light source": null,
"Reaction medium": null,
"Pt": null,
"Ru": null,
"shear modulus": null,
"gap pbe": null,
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"optb88vdw_bandgap": null,
"Mn": null,
"Fe": null,
"min_co2_adsp": null,
"lcd": null,
"co2_pressures": null,
"exfoliation_energy": null,
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"emu/g": null,
"_oqmd_stability": null,
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"lumo": null,
"La": null,
"a": null,
"Rb": null,
"prototype_id": null,
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"Country": null,
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"PM": null,
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"categories": null,
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"B2 site": null,
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"defective_energy": null,
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"I1b": null,
"C2H4 yield(%)": null,
"Calcination time(h)": null,
"icsd_ids": null,
"ρb": null,
"B_Tb": null,
"_oqmd_entry_id": null,
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"Substrates": null,
"γ＇相尺寸 (nm)": null,
"时效时间t (h)": null,
"EAa": null,
"Illumination time (min)": null,
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"spacegroup_symbol": null,
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"时效温度T (℃)": null,
"固溶时间t (h)": null,
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"M4 (wt%)": null,
"CH4 Conv. (%)": null,
"report-no": null,
"A1": null,
"SBET(m2/g)": null,
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"MetalRatio": null,
"O2 Conv. (%)": null,
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"Exp": null,
"E_AtomN": null,
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"D": null,
"paper_number": null,
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"Stirring, rpm": null,
"Co": null,
"Code": null,
"Anion1": null,
"Cation2": null,
"hse_gap": null,
"pretty_formula": null,
"scf_vbm": null,
"χpb": null,
"HOMO": null,
"LUMO": null,
"egap": null,
"Acid_OVP": null,
"Formation_energy": null,
"max_ir_mode": null,
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"Resource": "STD",
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"authors_parsed": null,
"oxide_type": null,
"Rh": null,
"similarity": null,
"surf_vbm": null,
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"total": null,
"Dn": null,
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"A_Tb": null,
"net_magmom": null,
"source": null,
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"Ti": null,
"固溶温度T (℃)": null,
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"HF": null,
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"SDA": null,
"Si": null,
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"En": null,
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"Light Type": null,
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"Y": null,
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"MR2": null,
"Structure": null,
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"value": null,
"omega1": null,
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"gap": null,
"Multiphase": null,
"Electric field": null,
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"CSM": null,
"axial_distortion": null,
"O2 Conv(%)": null,
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"pbe0_lumo": null,
"C2-yield-class": null,
"Synthesis_Time": null,
"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
"3": null,
"5": null,
"6": null,
"7": null,
"9": null,
"10": null,
"18": null,
"20": null,
"24": null,
"33": null,
"40": null,
"45": null,
"55": null,
"a": null,
"elastic_tensor": null,
"R2": null,
"energy_per_atom": null,
"Acid_OVP": null,
"ef": null,
"jid": null,
"material_type": null,
"M3": null,
"id": null,
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"Light intensity(W)": null,
"O2-pressure": null,
"Ref_ind": null,
"decomposition": null,
"elasticity": null,
"final_energy": null,
"axial_distortion": null,
"spillage": null,
"Surfactant type": null,
"total_magnetization": null,
"A m^2/kg": null,
"octahedral_factor_ionic": null,
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"M2": null,
"B": null,
"ρb": null,
"energy_corrected": null,
"Antibiotic dosage (mg/L)": null,
"e_form": null,
"CT (℃)": null,
"lcd": null,
"nat": null,
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"X": null,
"°C": null,
"inertial_shape_factor_std_0": null,
"total": null,
"OC": null,
"Ca ion, mM": null,
"X site": null,
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"exfoliation_energy_per_atom": null,
"pld": null,
"surf_en": null,
"similarity": null,
"Ln_Kramers": null,
"spacegroup": null,
"C2H4 yield (%)": null,
"Mainproduct": null,
"mat_id": null,
"formula": null,
"Material Family": null,
"shear modulus": null,
"slme": null,
"formula_energy": null,
"Substrates": null,
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"bulk_formula": null,
"concentration": null,
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"Surface Strain": null,
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"gga_gap": null,
"energy": null,
"PM": null,
"spg_symbol": null,
"Chemical Environment 1=electrolyte 2=pressure": null,
"Country": null,
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"lumo": null,
"coordination_number": null,
"U": null,
"Ca": null,
"X1": null,
"surfaces_key": null,
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"EnergyAboveHull": null,
"optb88vdw_vbm": null,
"date": null,
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"gap pbe": null,
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"activation_energy": null,
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"MR1": null,
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"defective_energy": null,
"Time": null,
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"Ref": null,
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"source_id": null,
"M1": null,
"final_atoms": null,
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"I1b": null,
"avg_max": null,
"Photocatalyst dose(g L-1)": null,
"slope_CSM": null,
"Support": null,
"abstract": null,
"m06_scharber_voc": null,
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"Modulus of Elasticity 10³ Mpa": null,
"e_phase_separation": null,
"bandgap": null,
"HOMO": null,
"goldschmidt_TF_ionic": null,
"Rb": null,
"χpb": null,
"_oqmd_delta_e": null,
"Temperature, C": null,
"categories": null,
"CH4/O2 ratio": null,
"spg_number": null,
"material_id": null,
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"goldschmidt_TF": null,
"G": null,
"Par": null,
"Direct_or_indirect": null,
"symbol": null,
"loading (g/l)": null,
"Indexed_Date": null,
"nsites": null,
"ref": null,
"pbe0_description": null,
"MP (K)": null,
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"C2 yield (%)": null,
"Pt": null,
"reaction_energy": null,
"mu": null,
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"value": null,
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"co2_pressures": null,
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"H": null,
"EAa": null,
"CH4Ead": null,
"A2 site": null,
"osda smiles": null,
"method": null,
"Tc": null,
"wavelength": null,
"wycoff": null,
"C0, mg/L": null,
"ab": null,
"r2": null,
"total_mag": null,
"D, g/L": null,
"K": null,
"homo": null,
"A_B": null,
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"C2y": null,
"vol": null,
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"natoms": null,
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"func": null,
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"license": null,
"ReactionType": null,
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"Yield (μmol/g/h)": null,
"Base": null,
"Au": null,
"scf_cbm": null,
"bulk modulus": null,
"optb88vdw_cbm": null,
"Alloying": null,
"Solvent type": null,
"_oqmd_entry_id": null,
"num_bonds_mean_0": null,
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"at. wt.": null,
"spacegroup_symbol": null,
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"comments": null,
"CIF_type": null,
"label": null,
"ρa": null,
"t": null,
"Cv": null,
"ZPVE": null,
"title": null,
"Y": null,
"min_co2_adsp": null,
"PBE_latt_const": null,
"location": null,
"surface_area_m2g": null,
"vac_dat": null,
"B2 site": null,
"mu_b": null,
"magmom_oszicar": null,
"sgNumber": null,
"IF": null,
"Anion2-mol": null,
"atoms": null,
"chem_pot": null,
"topology": null,
"Temperature": null,
"name": null,
"Ref.": null,
"_oqmd_stability": null,
"authors_parsed": null,
"omega1": null,
"bulk_modulus_kv": null,
"cycle2": null,
"diel_tot": null,
"Dope": null,
"COx": null,
"bulk_energy": null,
"Calcination temperature(K)": null,
"offset": null,
"Space_group_rlx": null,
"EAb": null,
"-log(k), min-1": null,
"PBE_decomp_energy": null,
"Robs": null,
"Eg(eV)": null,
"Journal_Name": null,
"gap": null,
"DT (℃)": null,
"source": null,
"nelements": null,
"chemical_family": null,
"B_Tm": null,
"_oqmd_band_gap": null,
"Eps_elec": null,
"WeigthMetalLoading": null,
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"Ra/Rb": null,
"C2 selectivity (%)": null,
"Degradation efficiency (%)": null,
"journal-ref": null,
"A_Tb": null,
"stress": null,
"net_magmom": null,
"max_co2_adsp": null,
"Co": null,
"energy_above_hull (meV/atom)": null,
"Surface Area(m2/g)": null,
"B_Tb": null,
"SSA (m2 g -1 )": null,
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"formal_charge": null,
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"formation_energy (eV/atom)": null,
"dos_ef": null,
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"M4": null,
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"DOI": null,
"doi": null,
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"species": null,
"volume": null,
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"ΔfusHa": null,
"efermi": null,
"Ra": null,
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"a_key": null,
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"cycle1": null,
"alpha": null,
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"Bsite_NdValence_range": null,
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"Band_gap_GGA_optical": null,
"furnace length(mm)": "270",
"c": null,
"Ru": null,
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"scf_vbm": null,
"CO yield (%)": null,
"mT": null,
"report-no": null,
"source_folder": null,
"cellpressure": null,
"initial_atoms": null,
"bader_atomic_volumes": null,
"e_above_hull": null,
"closest_polyhedron": null,
"m06_homo": null,
"pH": null,
"CH4-pressure": null,
"phon_dat": null,
"src": null,
"Material": null,
"indir_gap": null,
"Ni": null,
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"Reactor_Volume": null,
"Illumination time (min)": null,
"elements": null,
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"cycle5": null,
"Cation4": null,
"Product": null,
"Catalyst/Pollutant mass ratio": null,
"时效时间t (h)": null,
"SBET(m2/g)": null,
"mol_weight": null,
"authors": null,
"versions": null,
"Stirring, rpm": null,
"full_formula": null,
"AH (h)": null,
"bertz_ct_mean_0": null,
"composition": null,
"diel": null,
"C.E. %": null,
"Synthesis time": null,
"bp86_homo": null,
"zpve": null,
"Total flow (mL/min)": null,
"Duration of cycles (h)": null,
"update_date": null,
"Year": null,
"Polymer type": null,
"B_O": null,
"PBE_gap": null,
"Normalised Value": null,
"An": null,
"icsd_ids": null,
"pbe0_gap": null,
"FD1": null,
"Am": null,
"bp86_lumo": null,
"AA": null,
"Cation3": null,
"Magnetic_ordering": null,
"Mg": null,
"Power(W)": null,
"µ_B/f.u.": null,
"Perovskite": null,
"Dense2": null,
"Am^2/kg": null,
"kv": null,
"energy_atom": null,
"Catalyst": null,
"Doping": null,
"Type": null,
"Band_gap_HSE": null,
"spacegroup_number": null,
"cycle4": null,
"sigvol": null,
"aurl": null,
"diffrtemp": null,
"formation_energy_per_atom": null,
"T, oC": null,
"poisson": null,
"Preparation method": null,
"Volume": null,
"Light Type": null,
"void_fraction": null,
"ProdRate(μmol/g)": null,
"Al": null,
"Po2": null,
"egap_fit": null,
"La": null,
"Warning_OER.1": null,
"overpotential V": null,
"Facility": null,
"Judge_Hydrothermal": null,
"BandGap(eV)": null,
"Pch4": null,
"unit": null,
"prototype_id": null,
"-V vs. RHE V": null,
"unit_cell_formula": null,
"ff_vac": null,
"b3lyp_scharber_jsc": null,
"spg": null,
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"Ionic Radius (angstroms)": null,
"pbe0_homo": null,
"CH4 Conv(%)": null,
"band_gap_dir": null,
"pub_year": null,
"axes_mean_0": null,
"Polymer, % wt.": null,
"Resource": null,
"Support1-mol": null,
"Additional": null,
"search": null,
"Reaction solution": null,
"Si": null,
"C2s": null,
"OH": null,
"CH4 conversion (%)": null,
"co2_absp": null,
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"A site #2": null,
"year": null,
"U0": null
} | complex | In a tabular data structure, locate the cells that meet the requirements. | Identify the carbon deficit percentage for resource type {} at a furnace length of {} mm. |
Find the unique identifier (ID) for the material with formula Tb1Th3.4Ru0.6B4. | table65 | [
"formula",
"id"
]
| [
"formula"
]
| [
"id"
]
| {
"0": null,
"1": null,
"5": null,
"7": null,
"10": null,
"17": null,
"25": null,
"30": null,
"45": null,
"file": null,
"jid": null,
"id": null,
"source_id": null,
"DOI": null,
"bulk_formula": null,
"species": null,
"enthalpy_formation_298K": null,
"chem_pot": null,
"Total flow (mL/min)": null,
"Temp. (℃)": null,
"CH4 conversion (%)": null,
"formula": "Tb1Th3.4Ru0.6B4",
"formula_energy": null,
"Ra": null,
"ρa": null,
"RH2(µmol h-1 g-1)": null,
"Preparation method": null,
"Calcination temperature(K)": null,
"Temperature": null,
"PBE_decomp_energy": null,
"Log_fom": null,
"e_above_hull": null,
"elements": null,
"density": null,
"optb88vdw_vbm": null,
"offset": null,
"compound": null,
"chemical_family": null,
"magmom_oszicar": null,
"M1": null,
"Par": null,
"Type": null,
"Solvent, % vol.": null,
"exfoliation_energy_per_atom": null,
"bandgap": null,
"sentence": null,
"composition": null,
"mT": null,
"goldschmidt_TF_ionic": null,
"Preparation": null,
"COx": null,
"Support": null,
"C2 selectivity (%)": null,
"A mole": null,
"M": null,
"location": null,
"Surface area (m2/g)": null,
"Pore Volume (cm3/g)": null,
"Degradation efficiency (%)": null,
"e_hull": null,
"mu_b": null,
"Molecular formulas": null,
"SSA (m2 g -1 )": null,
"SMILES_relaxed": null,
"mu": null,
"max_co2_adsp": null,
"spg_symbol": null,
"OC": null,
"Molecular formula": null,
"Surface Area(m2/g)": null,
"emu/cm^3": null,
"osda smiles": null,
"Photocatalyst(s)": null,
"MOF_Type": null,
"Phase": null,
"C0, mg/L": null,
"pH": null,
"T, oC": null,
"Synthesis time": null,
"Tc": null,
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"A site #3": null,
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} | simple | In a tabular data structure, locate the cells that meet the requirements. | Find the unique identifier (ID) for the material with formula {}. |
What reaction conditions are specified for the catalyst 9,3%NiPt(3:1)/Al2O3? | table30 | [
"Catalyst",
"Reaction"
]
| [
"Catalyst"
]
| [
"Reaction"
]
| {"file":null,"jid":null,"id":null,"source_id":null,"DOI":null,"bulk_formula":null,"species":null,"en(...TRUNCATED) | search_value | {"a":null,"elastic_tensor":null,"R2":null,"energy_per_atom":null,"Acid_OVP":null,"ef":null,"jid":nul(...TRUNCATED) | simple | In a tabular data structure, locate the cells that meet the requirements. | What reaction conditions are specified for the catalyst {}? |
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CataTQA: A Benchmark for Tool-Augmented LLM Question Answering over Heterogeneous Catalysis Tables
Despite their success in general question answering, large language models (LLMs) struggle with hallucinations and inaccurate reasoning in scientific domains. A major challenge stems from experimental data, which are often stored in external sources like supplementary materials and domain-specific databases. These tables are large, heterogeneous, and semantically complex, making them difficult for LLMs to interpret. While external tools show promise, current benchmarks fail to assess LLMs' ability to navigate this data—particularly in locating relevant tables, retrieving key columns, interpreting experimental conditions, and invoking tools. To address this gap, we introduce CataTQA, a new benchmark for catalytic materials. CataTQA features an automated dataset framework and four auxiliary tools. We evaluate tool-enhanced LLMs across five dimensions: table location, column retrieval, condition analysis, tool calling, and question answering, identifying their strengths and weaknesses. Our work sets a new benchmark for evaluating LLMs in scientific fields and paves the way for future advancements. All data and code are publicly available on GitHub.
Dataset Field Description
- question:A table question.
- refer_dataset:Generate a reference dataset of questions and answers.
- column namesThe column name used to generate the problem.
- condition_column:The column names that need to be filled in to generate the problem.
- answer_column:Column name of the answer.
- condition:Conditions contained in the question.
- answer:Answers to questions.
- tool:Tools for answering questions.
- level:The level of the problem.
- question description:Question type description.
- refer_template:Template question.
Example
{
"question": "Identify the material ID linked to a total energy per atom of -4.093124536666667.",
"refer_dataset": "table67",
"column names": ["energy_per_atom", "material_id"],
"condition_column": ["energy_per_atom"],
"answer_column": ["material_id"],
"condition": {"energy_per_atom": "-4.093124536666667"},
"tool": "search_value",
"answer": {"material_id": "2dm-6"},
"level": "simple",
"question description":"In a tabular data structure, locate the cells that meet the requirements.",
"refer_template": "Identify the material ID linked to a total energy per atom of {}."
}
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