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 |
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32,
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} | 225 | SrCdGe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_434168 | [
"Ge",
"As",
"La"
] | [
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57,
32,
32,
32,
32,
32,
32,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | LaGe2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_434183 | [
"Ge",
"Sr",
"W"
] | [
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38,
38,
38,
32,
32,
32,
32,
32,
32,
32,
32,
74,
74,
74,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | SrGe2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_434200 | [
"Ge",
"Sb",
"Tl"
] | [
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81,
81,
81,
32,
32,
32,
32,
32,
32,
32,
32,
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51,
51,
51
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | TlGe2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_434214 | [
"Ge",
"Ce",
"Yb"
] | [
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70,
70,
70,
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58,
58,
58,
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32,
32,
32,
32,
32,
32,
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] | {
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} | 225 | YbCeGe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_spenJ5-yJKprRhyEBh0BGyhc6U98 | [
"K",
"Ge",
"In"
] | [
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19,
19,
19,
49,
49,
49,
49,
32,
32,
32,
32,
32,
32,
32,
32
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] | {
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"c": 7.344947814941406,
"alpha": 90,
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} | 225 | KInGe2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_434243 | [
"Ge",
"Zr",
"Pb"
] | [
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40,
40,
40,
32,
32,
32,
32,
32,
32,
32,
32,
82,
82,
82,
82
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | ZrGe2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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