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_484372 | [
"As",
"Sb",
"Th"
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"alpha": 90,
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} | 225 | ThSb2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484385 | [
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"alpha": 90,
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} | 225 | TmTaSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_A-IqGQTEw4ZNzehaVLZvB4dkNBT4 | [
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51,
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] | {
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"alpha": 90,
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} | 225 | CoBSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484415 | [
"Be",
"Sb",
"Au"
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51,
51,
51,
51,
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51,
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"alpha": 90,
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"gamma": 90
} | 225 | BeSb2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484431 | [
"Al",
"Sb",
"Ac"
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13,
13,
51,
51,
51,
51,
51,
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] | {
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"c": 7.798727989196777,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcAlSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484448 | [
"Sr",
"Sb",
"Ta"
] | [
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38,
73,
73,
73,
73,
51,
51,
51,
51,
51,
51,
51,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrTaSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484464 | [
"Sb",
"La",
"Th"
] | [
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90,
90,
90,
90,
51,
51,
51,
51,
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"alpha": 90,
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} | 225 | LaThSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484475 | [
"Sr",
"Sb",
"Yb"
] | [
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38,
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70,
70,
70,
51,
51,
51,
51,
51,
51,
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] | {
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"alpha": 90,
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} | 225 | SrYbSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484492 | [
"Ca",
"Ti",
"Sb"
] | [
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20,
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20,
22,
22,
22,
22,
51,
51,
51,
51,
51,
51,
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] | {
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"alpha": 90,
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} | 225 | CaTiSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484510 | [
"Fe",
"Tc",
"Sb"
] | [
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26,
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26,
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43,
43,
43,
51,
51,
51,
51,
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51,
51,
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] | {
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"alpha": 90,
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} | 225 | FeTcSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484525 | [
"Be",
"Sb",
"Pr"
] | [
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4,
4,
4,
4,
51,
51,
51,
51,
51,
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] | {
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"alpha": 90,
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} | 225 | PrBeSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484540 | [
"Zn",
"Sb",
"Tm"
] | [
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30,
30,
30,
30,
51,
51,
51,
51,
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] | {
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"alpha": 90,
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} | 225 | TmZnSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484552 | [
"Sb",
"Tb",
"Au"
] | [
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65,
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51,
51,
51,
51,
51,
51,
51,
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] | {
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"alpha": 90,
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} | 225 | TbSb2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Pnz3pwK12RO1qWDzoIMTL7UDzkyK | [
"Mn",
"Sb",
"Ba"
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25,
51,
51,
51,
51,
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] | {
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"alpha": 90,
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} | 225 | BaMnSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484586 | [
"Pd",
"Sb",
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] | [
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51,
51,
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tar:OQMD_484605 | [
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tar:OQMD_484619 | [
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tar:OQMD_484632 | [
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tar:OQMD_484652 | [
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tar:OQMD_484659 | [
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tar:OQMD_484675 | [
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tar:OQMD_484690 | [
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tar:OQMD_484700 | [
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tar:OQMD_484716 | [
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tar:OQMD_484732 | [
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tar:OQMD_484742 | [
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tar:OQMD_484759 | [
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tar:OQMD_484772 | [
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} | 225 | CsGaSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484783 | [
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} | 225 | KMnSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484797 | [
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tar:OQMD_484812 | [
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tar:OQMD_484831 | [
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tar:OQMD_484844 | [
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tar:OQMD_484857 | [
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tar:OQMD_484871 | [
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tar:OQMD_484883 | [
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tar:OQMD_484899 | [
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tar:OQMD_484915 | [
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tar:OQMD_484933 | [
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tar:OQMD_484947 | [
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tar:OQMD_484961 | [
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tar:OQMD_484972 | [
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tar:OQMD_484984 | [
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tar:OQMD_484999 | [
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tar:OQMD_485015 | [
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tar:OQMD_485064 | [
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tar:OQMD_485077 | [
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tar:OQMD_485095 | [
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tar:OQMD_485110 | [
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tar:OQMD_485126 | [
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tar:OQMD_485141 | [
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tar:OQMD_485154 | [
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tar:OQMD_485171 | [
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tar:OQMD_485187 | [
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tar:NOMAD_A9TIlgQhpdowsPWSyQtwU2DjeMlV | [
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tar:OQMD_485210 | [
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tar:OQMD_485225 | [
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tar:OQMD_485441 | [
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tar:OQMD_485456 | [
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tar:OQMD_485470 | [
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tar:OQMD_485485 | [
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tar:OQMD_485503 | [
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tar:OQMD_485523 | [
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tar:OQMD_485537 | [
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tar:OQMD_485554 | [
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tar:OQMD_485569 | [
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tar:OQMD_485580 | [
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} | 225 | SmSb2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_485594 | [
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} | 225 | ThInSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_485610 | [
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} | 225 | BSb2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_485627 | [
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} | 225 | YbZrSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_485641 | [
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} | 225 | HfAgSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_485655 | [
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} | 225 | SnGeSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_F40IjMqPDPghkN6JzRvVQcCjmVZp | [
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SiSb2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_485678 | [
"Sb",
"Tm",
"Np"
] | [
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69,
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93,
93,
93,
51,
51,
51,
51,
51,
51,
51,
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] | 16 | 3 | [
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] | {
"a": 7.49819803237915,
"b": 7.49819803237915,
"c": 7.49819803237915,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TmNpSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_485690 | [
"Nb",
"Pd",
"Sb"
] | [
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41,
41,
41,
51,
51,
51,
51,
51,
51,
51,
51,
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46,
46,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | NbSb2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_485708 | [
"Sb",
"Sm",
"Tm"
] | [
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62,
62,
62,
69,
69,
69,
69,
51,
51,
51,
51,
51,
51,
51,
51
] | 16 | 3 | [
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] | {
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"b": 7.6164422035217285,
"c": 7.6164422035217285,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmTmSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_485721 | [
"Rb",
"Mo",
"Sb"
] | [
37,
37,
37,
37,
51,
51,
51,
51,
51,
51,
51,
51,
42,
42,
42,
42
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | RbSb2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_BrT_e1R1ke3i2c1RJhHziIsBDhMJ | [
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40,
40,
40,
51,
51,
51,
51,
51,
51,
51,
51,
52,
52,
52,
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] | 16 | 3 | [
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] | {
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"c": 7.4197187423706055,
"alpha": 90,
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"gamma": 90
} | 225 | ZrSb2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_485758 | [
"Ca",
"Sb",
"Au"
] | [
20,
20,
20,
20,
51,
51,
51,
51,
51,
51,
51,
51,
79,
79,
79,
79
] | 16 | 3 | [
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[
0,
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[
0.5,
0,
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],
[
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]
] | {
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"b": 7.372402191162109,
"c": 7.372402191162109,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaSb2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_485774 | [
"Ru",
"Sb",
"Np"
] | [
93,
93,
93,
93,
51,
51,
51,
51,
51,
51,
51,
51,
44,
44,
44,
44
] | 16 | 3 | [
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0
],
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[
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] | {
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"c": 7.053031921386719,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NpSb2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_485789 | [
"Na",
"Cr",
"Sb"
] | [
11,
11,
11,
11,
24,
24,
24,
24,
51,
51,
51,
51,
51,
51,
51,
51
] | 16 | 3 | [
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[
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] | {
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"b": 7.124725818634033,
"c": 7.124725818634033,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaCrSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_iSxzEZoMCG-L_16ju-ldhe7c6Z3P | [
"B",
"As",
"Sb"
] | [
5,
5,
5,
5,
51,
51,
51,
51,
51,
51,
51,
51,
33,
33,
33,
33
] | 16 | 3 | [
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] | {
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"c": 6.855857849121094,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BSb2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_485819 | [
"B",
"Sb",
"W"
] | [
5,
5,
5,
5,
51,
51,
51,
51,
51,
51,
51,
51,
74,
74,
74,
74
] | 16 | 3 | [
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0,
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0
],
[
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0,
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],
[
0.5,
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0.5
],
[
0.5,
0.5,
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]
] | {
"a": 6.644686222076416,
"b": 6.644686222076416,
"c": 6.644686222076416,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BSb2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_485838 | [
"Sb",
"Hf",
"Re"
] | [
72,
72,
72,
72,
75,
75,
75,
75,
51,
51,
51,
51,
51,
51,
51,
51
] | 16 | 3 | [
[
0,
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0
],
[
0,
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[
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],
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0.5,
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0,
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[
0.25,
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],
[
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]
] | {
"a": 6.810818195343018,
"b": 6.810818195343018,
"c": 6.810818195343018,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HfReSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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