mp_id stringlengths 4 38 | elements listlengths 1 10 | atomic_numbers listlengths 1 200 | num_atoms int32 1 200 | num_elements int32 1 10 | fractional_coords listlengths 1 200 | lattice dict | spacegroup_number int32 0 230 | reduced_formula stringlengths 1 24 | tier stringclasses 3 values | is_li_containing bool 2 classes | num_li_atoms int32 0 104 ⌀ | band_gap float32 0 17.9 ⌀ | energy_above_hull float32 0 9.71 ⌀ | formation_energy_per_atom float32 -5.15 8.99 ⌀ | is_metal bool 2 classes | source_tags listlengths 1 5 ⌀ | source stringclasses 4 values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
tar:OQMD_362796 | [
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tar:OQMD_362812 | [
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} | 225 | BaYSc2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_362822 | [
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} | 225 | RbThSc2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_362837 | [
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} | 225 | EuPuSc2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_362850 | [
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} | 225 | PrSc2Hg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_362864 | [
"Sc",
"V",
"Yb"
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"alpha": 90,
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} | 225 | YbSc2V | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_362879 | [
"Sc",
"Ta",
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} | 225 | Sc2TaOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_362891 | [
"Sc",
"V",
"Ir"
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21,
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21,
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"alpha": 90,
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} | 225 | Sc2VIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_362906 | [
"K",
"Sc",
"Os"
] | [
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19,
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21,
21,
21,
21,
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21,
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"alpha": 90,
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} | 225 | KSc2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_362923 | [
"Sc",
"Ni",
"Sr"
] | [
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21,
21,
21,
21,
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} | 225 | SrSc2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_362937 | [
"Sc",
"Ga",
"Gd"
] | [
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21,
21,
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} | 225 | GdSc2Ga | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_362951 | [
"Sc",
"Ce",
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] | [
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"alpha": 90,
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} | 225 | CeSc2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_362965 | [
"Sc",
"Sb",
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] | [
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21,
21,
21,
21,
21,
21,
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21,
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51,
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} | 225 | LaSc2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_362983 | [
"Sc",
"W",
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} | 225 | Sc2WAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_363003 | [
"Be",
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tar:OQMD_363019 | [
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tar:OQMD_363035 | [
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tar:OQMD_363051 | [
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tar:OQMD_363068 | [
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tar:OQMD_363081 | [
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tar:OQMD_363093 | [
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tar:OQMD_363108 | [
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tar:OQMD_363122 | [
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tar:OQMD_363137 | [
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tar:OQMD_363153 | [
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tar:OQMD_363172 | [
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tar:OQMD_363188 | [
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tar:OQMD_363203 | [
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tar:OQMD_363219 | [
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tar:OQMD_363232 | [
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tar:OQMD_363684 | [
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tar:OQMD_363763 | [
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tar:OQMD_363790 | [
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tar:OQMD_363802 | [
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tar:OQMD_363813 | [
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tar:OQMD_363826 | [
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tar:OQMD_363840 | [
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tar:OQMD_363867 | [
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tar:OQMD_363885 | [
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tar:OQMD_363904 | [
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tar:OQMD_363917 | [
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tar:OQMD_364179 | [
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tar:OQMD_364199 | [
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tar:NOMAD_b-PD1v386ki--BOlHFKzE8XMy4WE | [
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tar:OQMD_364225 | [
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tar:NOMAD_MbEl5c4ZbWi92DIaFCraGiSVT6P6 | [
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tar:NOMAD_UKvUmkEhzOyIBqj5I06QtoihKUAK | [
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tar:NOMAD_YTEzUAiIISeFVuPHV2m0Vo2--Iag | [
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tar:OQMD_364275 | [
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} | 225 | ZnCrPt2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_364293 | [
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} | 225 | RbSmPt2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_VzAY-UpiuzQh7p6cDVUJRrVscReZ | [
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} | 225 | TbIrPt2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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