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_482817 | [
"Zn",
"Y",
"Rh"
] | [
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30,
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YZn2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482831 | [
"Zn",
"Pr",
"Pt"
] | [
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59,
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30,
30,
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30,
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] | {
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"c": 6.683990001678467,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrZn2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482843 | [
"Zn",
"Pd",
"Ag"
] | [
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30,
30,
30,
30,
30,
30,
30,
47,
47,
47,
47,
46,
46,
46,
46
] | 16 | 3 | [
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] | {
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"c": 6.1860198974609375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2AgPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482858 | [
"V",
"Zn",
"Pr"
] | [
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59,
59,
59,
23,
23,
23,
23,
30,
30,
30,
30,
30,
30,
30,
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] | 16 | 3 | [
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] | {
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"c": 6.805191993713379,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrVZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482873 | [
"Zn",
"Eu",
"Np"
] | [
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63,
63,
63,
93,
93,
93,
93,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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] | {
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"b": 7.127833843231201,
"c": 7.127833843231201,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuNpZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482890 | [
"Zn",
"Ru",
"Pa"
] | [
91,
91,
91,
91,
30,
30,
30,
30,
30,
30,
30,
30,
44,
44,
44,
44
] | 16 | 3 | [
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] | {
"a": 6.522058010101318,
"b": 6.522058010101318,
"c": 6.522058010101318,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaZn2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482909 | [
"Zn",
"Te",
"Pa"
] | [
91,
91,
91,
91,
30,
30,
30,
30,
30,
30,
30,
30,
52,
52,
52,
52
] | 16 | 3 | [
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] | {
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"b": 7.008520126342773,
"c": 7.008520126342773,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaZn2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482922 | [
"V",
"Zn",
"Sb"
] | [
23,
23,
23,
23,
30,
30,
30,
30,
30,
30,
30,
30,
51,
51,
51,
51
] | 16 | 3 | [
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],
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]
] | {
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"b": 6.6860761642456055,
"c": 6.6860761642456055,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | VZn2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482935 | [
"Mg",
"Zn",
"As"
] | [
12,
12,
12,
12,
30,
30,
30,
30,
30,
30,
30,
30,
33,
33,
33,
33
] | 16 | 3 | [
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] | {
"a": 6.559639930725098,
"b": 6.559639930725098,
"c": 6.559639930725098,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MgZn2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482950 | [
"Zn",
"Rb",
"Hf"
] | [
37,
37,
37,
37,
72,
72,
72,
72,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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[
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]
] | {
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"b": 7.294248104095459,
"c": 7.294248104095459,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbHfZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482981 | [
"Zn",
"Sr",
"Cs"
] | [
55,
55,
55,
55,
38,
38,
38,
38,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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],
[
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] | {
"a": 8.2636079788208,
"b": 8.2636079788208,
"c": 8.2636079788208,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsSrZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482997 | [
"Zn",
"Ac",
"Np"
] | [
89,
89,
89,
89,
93,
93,
93,
93,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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[
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],
[
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]
] | {
"a": 7.314733982086182,
"b": 7.314733982086182,
"c": 7.314733982086182,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcNpZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483011 | [
"Zn",
"Sb",
"Pr"
] | [
59,
59,
59,
59,
30,
30,
30,
30,
30,
30,
30,
30,
51,
51,
51,
51
] | 16 | 3 | [
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] | {
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"b": 7.123754024505615,
"c": 7.123754024505615,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrZn2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483026 | [
"Ni",
"Zn",
"Zr"
] | [
40,
40,
40,
40,
30,
30,
30,
30,
30,
30,
30,
30,
28,
28,
28,
28
] | 16 | 3 | [
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] | {
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"c": 6.175243854522705,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZrZn2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483042 | [
"Zn",
"Sb",
"Cs"
] | [
55,
55,
55,
55,
30,
30,
30,
30,
30,
30,
30,
30,
51,
51,
51,
51
] | 16 | 3 | [
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[
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] | {
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"b": 7.704582214355469,
"c": 7.704582214355469,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsZn2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483056 | [
"Sc",
"Zn",
"Te"
] | [
21,
21,
21,
21,
30,
30,
30,
30,
30,
30,
30,
30,
52,
52,
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] | 16 | 3 | [
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"alpha": 90,
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"gamma": 90
} | 225 | ScZn2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483066 | [
"Sc",
"Zn",
"Sb"
] | [
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21,
21,
21,
30,
30,
30,
30,
30,
30,
30,
30,
51,
51,
51,
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] | 16 | 3 | [
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"alpha": 90,
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} | 225 | ScZn2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483080 | [
"Be",
"Zn",
"Zr"
] | [
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40,
40,
40,
4,
4,
4,
4,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZrBeZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483095 | [
"Zn",
"Ba",
"Re"
] | [
56,
56,
56,
56,
30,
30,
30,
30,
30,
30,
30,
30,
75,
75,
75,
75
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | BaZn2Re | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483107 | [
"Zn",
"Sb",
"W"
] | [
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30,
30,
30,
30,
30,
30,
30,
51,
51,
51,
51,
74,
74,
74,
74
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Zn2SbW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483121 | [
"Zn",
"Tc",
"Pb"
] | [
30,
30,
30,
30,
30,
30,
30,
30,
43,
43,
43,
43,
82,
82,
82,
82
] | 16 | 3 | [
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] | {
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"c": 6.537807941436768,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2TcPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483131 | [
"Zn",
"Pm",
"Ir"
] | [
61,
61,
61,
61,
30,
30,
30,
30,
30,
30,
30,
30,
77,
77,
77,
77
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmZn2Ir | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483142 | [
"Al",
"Zn",
"Ho"
] | [
67,
67,
67,
67,
13,
13,
13,
13,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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[
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] | {
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"c": 6.586903095245361,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HoAlZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483159 | [
"Zn",
"Rb",
"Ce"
] | [
37,
37,
37,
37,
58,
58,
58,
58,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbCeZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483177 | [
"Sc",
"Zn",
"Th"
] | [
90,
90,
90,
90,
21,
21,
21,
21,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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[
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] | {
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"c": 7.013798236846924,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ThScZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483194 | [
"Ni",
"Zn",
"Tl"
] | [
81,
81,
81,
81,
30,
30,
30,
30,
30,
30,
30,
30,
28,
28,
28,
28
] | 16 | 3 | [
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[
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] | {
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"c": 6.325764179229736,
"alpha": 90,
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"gamma": 90
} | 225 | TlZn2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483210 | [
"Zn",
"W",
"Pa"
] | [
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91,
91,
91,
30,
30,
30,
30,
30,
30,
30,
30,
74,
74,
74,
74
] | 16 | 3 | [
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] | {
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"c": 6.604983806610107,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaZn2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483225 | [
"Li",
"Zn",
"Hg"
] | [
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3,
3,
3,
30,
30,
30,
30,
30,
30,
30,
30,
80,
80,
80,
80
] | 16 | 3 | [
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] | {
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"c": 6.350989818572998,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiZn2Hg | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_483234 | [
"Zn",
"Sr",
"Pm"
] | [
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38,
38,
38,
61,
61,
61,
61,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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[
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] | {
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"c": 7.45207405090332,
"alpha": 90,
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"gamma": 90
} | 225 | SrPmZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483255 | [
"Zn",
"Ge",
"Sb"
] | [
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30,
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30,
30,
30,
30,
32,
32,
32,
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51,
51,
51,
51
] | 16 | 3 | [
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"alpha": 90,
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"gamma": 90
} | 225 | Zn2GeSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483270 | [
"Zn",
"Sr",
"Ag"
] | [
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38,
38,
38,
30,
30,
30,
30,
30,
30,
30,
30,
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47,
47,
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"alpha": 90,
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} | 225 | SrZn2Ag | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483284 | [
"V",
"Zn",
"Pt"
] | [
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23,
23,
23,
30,
30,
30,
30,
30,
30,
30,
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78,
78,
78,
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"alpha": 90,
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} | 225 | VZn2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483298 | [
"V",
"Zn",
"Os"
] | [
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23,
23,
23,
30,
30,
30,
30,
30,
30,
30,
30,
76,
76,
76,
76
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"alpha": 90,
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} | 225 | VZn2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483312 | [
"Zn",
"Mo",
"Hf"
] | [
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72,
72,
72,
30,
30,
30,
30,
30,
30,
30,
30,
42,
42,
42,
42
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | HfZn2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483324 | [
"Zn",
"Zr",
"Ce"
] | [
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58,
58,
58,
40,
40,
40,
40,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | CeZrZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483341 | [
"Ti",
"Zn",
"Pa"
] | [
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91,
91,
91,
22,
22,
22,
22,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | PaTiZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483356 | [
"Cr",
"Zn",
"Ir"
] | [
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30,
30,
30,
30,
30,
30,
30,
24,
24,
24,
24,
77,
77,
77,
77
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Zn2CrIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483371 | [
"Zn",
"Pm",
"Tb"
] | [
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65,
65,
65,
61,
61,
61,
61,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | TbPmZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483392 | [
"Fe",
"Zn",
"Y"
] | [
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39,
39,
39,
30,
30,
30,
30,
30,
30,
30,
30,
26,
26,
26,
26
] | 16 | 3 | [
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] | {
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"c": 6.5467400550842285,
"alpha": 90,
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} | 225 | YZn2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_qUk1vd-Oqa21EYGdkSqK--weOWxA | [
"Fe",
"Zn",
"W"
] | [
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30,
30,
30,
30,
30,
30,
30,
26,
26,
26,
26,
74,
74,
74,
74
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"alpha": 90,
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"gamma": 90
} | 225 | Zn2FeW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483426 | [
"Zn",
"Tb",
"Er"
] | [
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65,
65,
65,
68,
68,
68,
68,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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[
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] | {
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"c": 7.059638023376465,
"alpha": 90,
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"gamma": 90
} | 225 | TbErZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483443 | [
"Zn",
"Sr",
"Th"
] | [
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38,
38,
38,
90,
90,
90,
90,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | SrThZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483456 | [
"Zn",
"Nb",
"Ho"
] | [
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67,
67,
67,
41,
41,
41,
41,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | HoNbZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483471 | [
"Zn",
"As",
"Pt"
] | [
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30,
30,
30,
30,
30,
30,
30,
33,
33,
33,
33,
78,
78,
78,
78
] | 16 | 3 | [
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] | {
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"c": 6.3193159103393555,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2AsPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483491 | [
"Co",
"Zn",
"Ir"
] | [
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30,
30,
30,
30,
30,
30,
30,
27,
27,
27,
27,
77,
77,
77,
77
] | 16 | 3 | [
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"alpha": 90,
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"gamma": 90
} | 225 | Zn2CoIr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483509 | [
"Zn",
"Ru",
"Re"
] | [
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30,
30,
30,
30,
30,
30,
30,
75,
75,
75,
75,
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44,
44,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Zn2ReRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483527 | [
"K",
"Zn",
"Sb"
] | [
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19,
19,
19,
30,
30,
30,
30,
30,
30,
30,
30,
51,
51,
51,
51
] | 16 | 3 | [
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] | {
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"c": 7.317284107208252,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KZn2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483542 | [
"Zn",
"Ir",
"Ac"
] | [
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89,
89,
89,
30,
30,
30,
30,
30,
30,
30,
30,
77,
77,
77,
77
] | 16 | 3 | [
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] | {
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"c": 6.859283924102783,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcZn2Ir | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483556 | [
"Si",
"Zn",
"Np"
] | [
93,
93,
93,
93,
30,
30,
30,
30,
30,
30,
30,
30,
14,
14,
14,
14
] | 16 | 3 | [
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] | {
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"c": 6.524621963500977,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NpZn2Si | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483570 | [
"Zn",
"Cs",
"Ac"
] | [
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55,
55,
55,
89,
89,
89,
89,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | CsAcZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483586 | [
"Ca",
"Zn",
"Ta"
] | [
20,
20,
20,
20,
73,
73,
73,
73,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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] | {
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"c": 6.703554153442383,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaTaZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483605 | [
"Zn",
"Eu",
"Re"
] | [
63,
63,
63,
63,
30,
30,
30,
30,
30,
30,
30,
30,
75,
75,
75,
75
] | 16 | 3 | [
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] | {
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"c": 6.556153774261475,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuZn2Re | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483622 | [
"Si",
"Zn",
"Au"
] | [
30,
30,
30,
30,
30,
30,
30,
30,
14,
14,
14,
14,
79,
79,
79,
79
] | 16 | 3 | [
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[
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] | {
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"c": 6.349165916442871,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2SiAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483636 | [
"Li",
"Zn",
"Nb"
] | [
3,
3,
3,
3,
41,
41,
41,
41,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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[
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] | {
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"c": 6.202218055725098,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiNbZn2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_483651 | [
"Mg",
"Zn",
"In"
] | [
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12,
12,
12,
30,
30,
30,
30,
30,
30,
30,
30,
49,
49,
49,
49
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | MgZn2In | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483666 | [
"Al",
"Zn",
"Te"
] | [
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13,
13,
13,
30,
30,
30,
30,
30,
30,
30,
30,
52,
52,
52,
52
] | 16 | 3 | [
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] | {
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"c": 6.853278160095215,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AlZn2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483681 | [
"Zn",
"Ce",
"Ac"
] | [
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89,
89,
89,
58,
58,
58,
58,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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[
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] | {
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"c": 7.547982215881348,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcCeZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483699 | [
"Cu",
"Zn",
"Cd"
] | [
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30,
30,
30,
30,
30,
30,
30,
48,
48,
48,
48,
29,
29,
29,
29
] | 16 | 3 | [
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[
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],
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] | {
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"c": 6.267787933349609,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2CdCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483718 | [
"Zn",
"La",
"W"
] | [
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57,
57,
57,
30,
30,
30,
30,
30,
30,
30,
30,
74,
74,
74,
74
] | 16 | 3 | [
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[
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[
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0.5,
0.5
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[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.785168170928955,
"b": 6.785168170928955,
"c": 6.785168170928955,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaZn2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483735 | [
"Ni",
"Zn",
"Cd"
] | [
30,
30,
30,
30,
30,
30,
30,
30,
48,
48,
48,
48,
28,
28,
28,
28
] | 16 | 3 | [
[
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0.75,
0.25
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[
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[
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[
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0,
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] | {
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"b": 6.083940029144287,
"c": 6.083940029144287,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2CdNi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483749 | [
"Zn",
"Pd",
"Os"
] | [
30,
30,
30,
30,
30,
30,
30,
30,
76,
76,
76,
76,
46,
46,
46,
46
] | 16 | 3 | [
[
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0.25
],
[
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[
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[
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0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.068605899810791,
"b": 6.068605899810791,
"c": 6.068605899810791,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2OsPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483760 | [
"Zn",
"Ga",
"Rh"
] | [
30,
30,
30,
30,
30,
30,
30,
30,
31,
31,
31,
31,
45,
45,
45,
45
] | 16 | 3 | [
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0.25
],
[
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[
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[
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0.5,
0.5
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[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.12055778503418,
"b": 6.12055778503418,
"c": 6.12055778503418,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2GaRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483775 | [
"Zn",
"Pm",
"Pb"
] | [
61,
61,
61,
61,
30,
30,
30,
30,
30,
30,
30,
30,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
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[
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[
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[
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[
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[
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[
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0.5,
0
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[
0.5,
0,
0
],
[
0.5,
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] | {
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"b": 7.1199798583984375,
"c": 7.1199798583984375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmZn2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483786 | [
"Zn",
"Re",
"Pb"
] | [
30,
30,
30,
30,
30,
30,
30,
30,
75,
75,
75,
75,
82,
82,
82,
82
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
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[
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[
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[
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0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
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"b": 6.547667980194092,
"c": 6.547667980194092,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2RePb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483814 | [
"Ni",
"Zn",
"Ho"
] | [
67,
67,
67,
67,
30,
30,
30,
30,
30,
30,
30,
30,
28,
28,
28,
28
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
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[
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0.5
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[
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],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
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"b": 6.370058059692383,
"c": 6.370058059692383,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HoZn2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483842 | [
"Zn",
"Ho",
"Hg"
] | [
67,
67,
67,
67,
30,
30,
30,
30,
30,
30,
30,
30,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
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[
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[
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[
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[
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[
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[
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[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 6.742271900177002,
"b": 6.742271900177002,
"c": 6.742271900177002,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HoZn2Hg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483853 | [
"Zn",
"Tb",
"Yb"
] | [
65,
65,
65,
65,
70,
70,
70,
70,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
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[
0.5,
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0.5
],
[
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[
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0
],
[
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[
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[
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[
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],
[
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[
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[
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0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] | {
"a": 7.112425804138184,
"b": 7.112425804138184,
"c": 7.112425804138184,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbYbZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483867 | [
"Na",
"Zn",
"Nd"
] | [
11,
11,
11,
11,
60,
60,
60,
60,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
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[
0.5,
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0.5
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[
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[
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[
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[
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[
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[
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0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] | {
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"b": 7.122714042663574,
"c": 7.122714042663574,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaNdZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483881 | [
"Zn",
"Sm",
"Ta"
] | [
62,
62,
62,
62,
73,
73,
73,
73,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
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0.5
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[
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[
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0
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[
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[
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[
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[
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[
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[
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],
[
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[
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[
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0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] | {
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"b": 6.7479658126831055,
"c": 6.7479658126831055,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmTaZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483897 | [
"Zn",
"Pd",
"Ac"
] | [
89,
89,
89,
89,
30,
30,
30,
30,
30,
30,
30,
30,
46,
46,
46,
46
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
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[
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[
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[
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[
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[
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[
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[
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[
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],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.958345890045166,
"b": 6.958345890045166,
"c": 6.958345890045166,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcZn2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483915 | [
"Sc",
"Zn",
"Sr"
] | [
38,
38,
38,
38,
21,
21,
21,
21,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
],
[
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[
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[
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],
[
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[
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[
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],
[
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[
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[
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0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
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"b": 7.186225891113281,
"c": 7.186225891113281,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrScZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483930 | [
"Ni",
"Zn",
"Ac"
] | [
89,
89,
89,
89,
30,
30,
30,
30,
30,
30,
30,
30,
28,
28,
28,
28
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
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0.5
],
[
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[
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[
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[
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],
[
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[
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],
[
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[
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[
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0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.835631847381592,
"b": 6.835631847381592,
"c": 6.835631847381592,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcZn2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483943 | [
"Cu",
"Zn",
"Hf"
] | [
72,
72,
72,
72,
30,
30,
30,
30,
30,
30,
30,
30,
29,
29,
29,
29
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
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[
0.25,
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],
[
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],
[
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],
[
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[
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],
[
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],
[
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],
[
0,
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0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.256514072418213,
"b": 6.256514072418213,
"c": 6.256514072418213,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HfZn2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483958 | [
"Zn",
"Yb",
"Pb"
] | [
70,
70,
70,
70,
30,
30,
30,
30,
30,
30,
30,
30,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
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0.75
],
[
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[
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] | {
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"c": 7.045829772949219,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbZn2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483970 | [
"Zn",
"Cs",
"Tl"
] | [
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55,
55,
55,
81,
81,
81,
81,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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"alpha": 90,
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"gamma": 90
} | 225 | CsTlZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483984 | [
"Zn",
"As",
"Rh"
] | [
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30,
30,
30,
30,
30,
30,
30,
33,
33,
33,
33,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Zn2AsRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_483999 | [
"Zn",
"Zr",
"Sm"
] | [
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62,
62,
62,
40,
40,
40,
40,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | SmZrZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484011 | [
"Fe",
"Zn",
"Nd"
] | [
60,
60,
60,
60,
30,
30,
30,
30,
30,
30,
30,
30,
26,
26,
26,
26
] | 16 | 3 | [
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] | {
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"c": 6.6733078956604,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdZn2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484024 | [
"Zn",
"Ho",
"Pu"
] | [
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67,
67,
67,
94,
94,
94,
94,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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"c": 6.9437761306762695,
"alpha": 90,
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"gamma": 90
} | 225 | HoPuZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484041 | [
"Zn",
"Rh",
"Te"
] | [
30,
30,
30,
30,
30,
30,
30,
30,
52,
52,
52,
52,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"c": 6.522726058959961,
"alpha": 90,
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"gamma": 90
} | 225 | Zn2TeRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484055 | [
"Zn",
"Sr",
"In"
] | [
38,
38,
38,
38,
30,
30,
30,
30,
30,
30,
30,
30,
49,
49,
49,
49
] | 16 | 3 | [
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] | {
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"c": 7.141368389129639,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrZn2In | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484068 | [
"Zn",
"Ge",
"Ag"
] | [
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30,
30,
30,
30,
30,
30,
30,
47,
47,
47,
47,
32,
32,
32,
32
] | 16 | 3 | [
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] | {
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"c": 6.453815937042236,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2AgGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484082 | [
"Zn",
"As",
"In"
] | [
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30,
30,
30,
30,
30,
30,
30,
49,
49,
49,
49,
33,
33,
33,
33
] | 16 | 3 | [
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[
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[
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] | {
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"c": 6.765460968017578,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2InAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484106 | [
"Be",
"Zn",
"Pd"
] | [
4,
4,
4,
4,
30,
30,
30,
30,
30,
30,
30,
30,
46,
46,
46,
46
] | 16 | 3 | [
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0
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[
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[
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] | {
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"c": 5.9087138175964355,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BeZn2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484122 | [
"Ni",
"Zn",
"Nd"
] | [
60,
60,
60,
60,
30,
30,
30,
30,
30,
30,
30,
30,
28,
28,
28,
28
] | 16 | 3 | [
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0
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[
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[
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] | {
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"c": 6.5424580574035645,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdZn2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484154 | [
"Co",
"Zn",
"Sb"
] | [
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30,
30,
30,
30,
30,
30,
30,
27,
27,
27,
27,
51,
51,
51,
51
] | 16 | 3 | [
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[
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] | {
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"c": 6.348050117492676,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2CoSb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484168 | [
"Zn",
"Mo",
"Ac"
] | [
89,
89,
89,
89,
30,
30,
30,
30,
30,
30,
30,
30,
42,
42,
42,
42
] | 16 | 3 | [
[
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0.5,
0
],
[
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[
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],
[
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] | {
"a": 6.963493824005127,
"b": 6.963493824005127,
"c": 6.963493824005127,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcZn2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484184 | [
"Zn",
"Ag",
"Cd"
] | [
30,
30,
30,
30,
30,
30,
30,
30,
48,
48,
48,
48,
47,
47,
47,
47
] | 16 | 3 | [
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[
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[
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[
0.5,
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0
],
[
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0.5
]
] | {
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"c": 6.362614154815674,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2CdAg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484201 | [
"Zn",
"Sm",
"Pb"
] | [
62,
62,
62,
62,
30,
30,
30,
30,
30,
30,
30,
30,
82,
82,
82,
82
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
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0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
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0.25
],
[
0.75,
0.75,
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[
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0.25
],
[
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[
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0.75,
0.75
],
[
0,
0,
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[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.105706214904785,
"b": 7.105706214904785,
"c": 7.105706214904785,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmZn2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_915315 | [
"Zn",
"Sm",
"Th"
] | [
62,
62,
62,
62,
90,
90,
90,
90,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
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[
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0
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[
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[
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],
[
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],
[
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0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
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0.75,
0.25
],
[
0.75,
0.75,
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],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 7.083723068237305,
"b": 7.083723068237305,
"c": 7.083723068237305,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmThZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484229 | [
"Zn",
"Np",
"Pu"
] | [
94,
94,
94,
94,
93,
93,
93,
93,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 6.832489967346191,
"b": 6.832489967346191,
"c": 6.832489967346191,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PuNpZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484244 | [
"Ni",
"Zn",
"Dy"
] | [
66,
66,
66,
66,
30,
30,
30,
30,
30,
30,
30,
30,
28,
28,
28,
28
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
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0.25
],
[
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0.25
],
[
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],
[
0.25,
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],
[
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],
[
0.75,
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],
[
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0.25
],
[
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0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.396955966949463,
"b": 6.396955966949463,
"c": 6.396955966949463,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | DyZn2Ni | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484260 | [
"Zn",
"Nd",
"Lu"
] | [
60,
60,
60,
60,
71,
71,
71,
71,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
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0,
0.5
],
[
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0
],
[
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0,
0
],
[
0.5,
0.5,
0.5
],
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0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
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0.25
],
[
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0.75,
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],
[
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0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 7.1213860511779785,
"b": 7.1213860511779785,
"c": 7.1213860511779785,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdLuZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484276 | [
"Zn",
"Pd",
"Ho"
] | [
67,
67,
67,
67,
30,
30,
30,
30,
30,
30,
30,
30,
46,
46,
46,
46
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
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0,
0
],
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0.25
],
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],
[
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],
[
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],
[
0.75,
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],
[
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],
[
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[
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],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.520411968231201,
"b": 6.520411968231201,
"c": 6.520411968231201,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HoZn2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484289 | [
"Zn",
"Rb",
"Cd"
] | [
37,
37,
37,
37,
30,
30,
30,
30,
30,
30,
30,
30,
48,
48,
48,
48
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.5068840980529785,
"b": 7.5068840980529785,
"c": 7.5068840980529785,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbZn2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484305 | [
"Cu",
"Zn",
"Ce"
] | [
58,
58,
58,
58,
30,
30,
30,
30,
30,
30,
30,
30,
29,
29,
29,
29
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.659421920776367,
"b": 6.659421920776367,
"c": 6.659421920776367,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CeZn2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484318 | [
"Zn",
"Nb",
"Ac"
] | [
89,
89,
89,
89,
41,
41,
41,
41,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] | {
"a": 7.038387775421143,
"b": 7.038387775421143,
"c": 7.038387775421143,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcNbZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484331 | [
"Sc",
"Nb",
"Sb"
] | [
21,
21,
21,
21,
41,
41,
41,
41,
51,
51,
51,
51,
51,
51,
51,
51
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 6.973142147064209,
"b": 6.973142147064209,
"c": 6.973142147064209,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ScNbSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484346 | [
"Al",
"Sb",
"Yb"
] | [
70,
70,
70,
70,
13,
13,
13,
13,
51,
51,
51,
51,
51,
51,
51,
51
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 7.444151878356934,
"b": 7.444151878356934,
"c": 7.444151878356934,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbAlSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_484361 | [
"Mg",
"Ge",
"Sb"
] | [
12,
12,
12,
12,
32,
32,
32,
32,
51,
51,
51,
51,
51,
51,
51,
51
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 7.286087989807129,
"b": 7.286087989807129,
"c": 7.286087989807129,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MgGeSb2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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