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_364329 | [
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tar:OQMD_364361 | [
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tar:OQMD_364373 | [
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tar:OQMD_364387 | [
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} | 225 | NaPrPt2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_364402 | [
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} | 225 | PmUPt2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_364419 | [
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tar:NOMAD_mzbtwimRgI2-bV-JzetTBeoA6mv6 | [
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} | 225 | PmCrPt2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_364448 | [
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} | 225 | MnSbPt2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_364474 | [
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} | 225 | ZnPt2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_364486 | [
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} | 225 | ErPt2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_364503 | [
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} | 225 | SbPt2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_364531 | [
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} | 225 | UNiPt2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_364547 | [
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} | 225 | GdCuPt2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_YGi70tjjcUmLteiS_rLWp6Ezjz8u | [
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"b": 6.872086048126221,
"c": 6.872086048126221,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbPt2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_365713 | [
"Ru",
"Pt",
"Th"
] | [
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90,
90,
90,
44,
44,
44,
44,
78,
78,
78,
78,
78,
78,
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"alpha": 90,
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} | 225 | ThRuPt2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_iSzKdziKF6yIqNUKmCYQnpaXFSn- | [
"Re",
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93,
93,
93,
75,
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75,
78,
78,
78,
78,
78,
78,
78,
78
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | NpRePt2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_365734 | [
"Ce",
"Hf",
"Pt"
] | [
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58,
58,
58,
72,
72,
72,
72,
78,
78,
78,
78,
78,
78,
78,
78
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"alpha": 90,
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} | 225 | CeHfPt2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_365750 | [
"Na",
"Tc",
"Os"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
43,
43,
43,
43,
76,
76,
76,
76
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Na2TcOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_365765 | [
"Na",
"In",
"Sm"
] | [
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11,
11,
11,
11,
11,
11,
11,
62,
62,
62,
62,
49,
49,
49,
49
] | 16 | 3 | [
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} | 225 | Na2SmIn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_365780 | [
"Na",
"La",
"Hf"
] | [
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11,
11,
11,
11,
11,
11,
11,
57,
57,
57,
57,
72,
72,
72,
72
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | Na2LaHf | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_365795 | [
"Na",
"Zn",
"Te"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
30,
30,
30,
30,
52,
52,
52,
52
] | 16 | 3 | [
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[
0,
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[
0.5,
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[
0.5,
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]
] | {
"a": 7.415421962738037,
"b": 7.415421962738037,
"c": 7.415421962738037,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2ZnTe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_k-Ur9QNJmor4xndSxNChOinkjAzg | [
"Na",
"Tm",
"U"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
69,
69,
69,
69,
92,
92,
92,
92
] | 16 | 3 | [
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] | {
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"c": 7.724865436553955,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2TmU | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_365823 | [
"Na",
"Cs",
"Ce"
] | [
55,
55,
55,
55,
11,
11,
11,
11,
11,
11,
11,
11,
58,
58,
58,
58
] | 16 | 3 | [
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0,
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0
],
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[
0.5,
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[
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]
] | {
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"c": 8.858329772949219,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsNa2Ce | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_365836 | [
"Na",
"Mg",
"Si"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
12,
12,
12,
12,
14,
14,
14,
14
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2MgSi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_365850 | [
"Na",
"Ru",
"Hf"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
72,
72,
72,
72,
44,
44,
44,
44
] | 16 | 3 | [
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],
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],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.720595836639404,
"b": 6.720595836639404,
"c": 6.720595836639404,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2HfRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_365863 | [
"Na",
"Cr",
"Tb"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
65,
65,
65,
65,
24,
24,
24,
24
] | 16 | 3 | [
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],
[
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[
0,
0.5,
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[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
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"c": 7.349999904632568,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na2TbCr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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