The full dataset viewer is not available (click to read why). Only showing a preview of the rows.
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,
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"indir_gap": null,
"source_folder": null,
"natoms": null,
"Exp": null,
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"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,
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"hse_gap": null,
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"HOMO": null,
"LUMO": null,
"egap": null,
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"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,
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"A/m": null,
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"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,
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"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,
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"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,
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"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,
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"gap": null,
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"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,
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"ref": null,
"Alkaline_OVP": null,
"COs": null,
"Doping": null,
"number_of_ligands": null,
"Polymer, % wt.": null
} | search_value | {
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"5": null,
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"9": null,
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"20": null,
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"id": null,
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"e_form": null,
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"nat": null,
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"X": null,
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"inertial_shape_factor_std_0": null,
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"OC": null,
"Ca ion, mM": null,
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"spacegroup": null,
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"formula": null,
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"slme": null,
"formula_energy": null,
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"concentration": 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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"coordination_number": null,
"U": null,
"Ca": null,
"X1": null,
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"date": null,
"Number of elements": null,
"gap pbe": null,
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"Support": null,
"abstract": null,
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"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,
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"symbol": null,
"loading (g/l)": null,
"Indexed_Date": null,
"nsites": null,
"ref": null,
"pbe0_description": null,
"MP (K)": null,
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"enthalpy_formation_0K": null,
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"C2 yield (%)": null,
"Pt": null,
"reaction_energy": null,
"mu": null,
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"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,
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"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,
"energy_per_atom": null,
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"ef": null,
"jid": null,
"material_type": null,
"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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"ρb": null,
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"total": 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,
"formula_energy": null,
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"J.uAcm2_0.63_initialCA": null,
"bulk_formula": null,
"concentration": null,
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"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,
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"lumo": null,
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"U": null,
"Ca": null,
"X1": null,
"surfaces_key": null,
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"C_AtomN": null,
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"source_id": "mvc-12841",
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"I1b": null,
"avg_max": null,
"Photocatalyst dose(g L-1)": null,
"slope_CSM": null,
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"abstract": null,
"m06_scharber_voc": null,
"ReactionE": null,
"Modulus of Elasticity 10³ Mpa": null,
"e_phase_separation": null,
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"goldschmidt_TF_ionic": null,
"Rb": null,
"χpb": null,
"_oqmd_delta_e": null,
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"categories": null,
"CH4/O2 ratio": null,
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"material_id": null,
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"G": null,
"Par": null,
"Direct_or_indirect": null,
"symbol": null,
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"nsites": null,
"ref": null,
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"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,
"Tc": null,
"wavelength": null,
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"r2": null,
"total_mag": null,
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"natoms": null,
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"comments": null,
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"IF": null,
"Anion2-mol": 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,
"Eg(eV)": null,
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"gap": null,
"DT (℃)": null,
"source": null,
"nelements": null,
"chemical_family": null,
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"_oqmd_band_gap": null,
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"stress": null,
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"Co": null,
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"dos_ef": null,
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"M4": null,
"Cited_Time": null,
"M": null,
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"E_AtomN": null,
"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,
"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,
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"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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"indir_gap": null,
"Ni": null,
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"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,
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"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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"PBE_gap": null,
"Normalised Value": null,
"An": null,
"icsd_ids": null,
"pbe0_gap": null,
"FD1": null,
"Am": null,
"bp86_lumo": null,
"AA": null,
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"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,
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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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"spg": 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,
"C2s": null,
"OH": null,
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"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,
"Nanostructuring": null,
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"bp86_scharber_pce": null,
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"cycle2": null,
"Functionalization": null,
"Eps_elec": null,
"Extracted Value": null,
"Extracted Units": null,
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"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": "1.79",
"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,
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"En": null,
"Wave length(<nm)": null,
"Light Type": null,
"Zeo2": null,
"Y": null,
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"Chemical Environment 1=electrolyte 2=pressure": null,
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"gv": null,
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"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,
"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,
"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,
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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,
"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,
"optb88vdw_bandgap": null,
"EnergyAboveHull": null,
"optb88vdw_vbm": null,
"date": null,
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"gap pbe": null,
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"defective_energy": null,
"Time": null,
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"I1b": null,
"avg_max": null,
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"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,
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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,
"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,
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"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,
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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,
"Solvent type": null,
"_oqmd_entry_id": null,
"num_bonds_mean_0": null,
"J.uAcm2_0.63_secondCA": null,
"atom_en": null,
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"at. wt.": null,
"spacegroup_symbol": null,
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"comments": null,
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"label": null,
"ρa": null,
"t": null,
"Cv": null,
"ZPVE": null,
"title": null,
"Y": null,
"min_co2_adsp": null,
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"location": null,
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"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,
"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,
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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,
"PAr (atm)": null,
"surf_vbm": null,
"M4": null,
"Cited_Time": null,
"M": null,
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"NH2": null,
"En": null,
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"doi": null,
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"species": null,
"volume": null,
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"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,
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"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,
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"Mg": null,
"Power(W)": null,
"µ_B/f.u.": null,
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"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,
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"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,
"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,
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"Resource": null,
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"Additional": null,
"search": null,
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"Si": null,
"C2s": null,
"OH": null,
"CH4 conversion (%)": null,
"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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