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_481141 | [
"Cu",
"Cd",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
48,
48,
48,
48,
29,
29,
29,
29
] | 16 | 3 | [
[
0.75,
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0.25
],
[
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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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[
0,
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0.5
],
[
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0,
0
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[
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0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.341268062591553,
"b": 7.341268062591553,
"c": 7.341268062591553,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Th2CdCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481156 | [
"Fe",
"As",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
26,
26,
26,
26,
33,
33,
33,
33
] | 16 | 3 | [
[
0.25,
0.75,
0.75
],
[
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0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
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0.25
],
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],
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0.25
],
[
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],
[
0.75,
0.75,
0.75
],
[
0,
0,
0
],
[
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0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.117189884185791,
"b": 7.117189884185791,
"c": 7.117189884185791,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Th2FeAs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_rjWSv1GENwikXSa36RTS9GwtUqrA | [
"Pd",
"Cs",
"Th"
] | [
55,
55,
55,
55,
90,
90,
90,
90,
90,
90,
90,
90,
46,
46,
46,
46
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
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],
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],
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],
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],
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],
[
0.25,
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],
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[
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0,
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],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.653686046600342,
"b": 7.653686046600342,
"c": 7.653686046600342,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsTh2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481183 | [
"Mg",
"Sn",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
12,
12,
12,
12,
50,
50,
50,
50
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
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0.25,
0.75
],
[
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0.75
],
[
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0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
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
]
] | {
"a": 7.721588134765625,
"b": 7.721588134765625,
"c": 7.721588134765625,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Th2MgSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_RBMNN5D8f1T0deFti_UUG9ppOM0D | [
"Cr",
"Eu",
"Th"
] | [
63,
63,
63,
63,
90,
90,
90,
90,
90,
90,
90,
90,
24,
24,
24,
24
] | 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
],
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0.25,
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],
[
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0.25
],
[
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0.25
],
[
0.75,
0.75,
0.25
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[
0.75,
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0.25
],
[
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0.75
],
[
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0.75
],
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.596334934234619,
"b": 7.596334934234619,
"c": 7.596334934234619,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuTh2Cr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481213 | [
"B",
"Yb",
"Th"
] | [
70,
70,
70,
70,
90,
90,
90,
90,
90,
90,
90,
90,
5,
5,
5,
5
] | 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,
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0.25
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
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0.75
],
[
0,
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],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.258552074432373,
"b": 7.258552074432373,
"c": 7.258552074432373,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbTh2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481226 | [
"Co",
"Pb",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
27,
27,
27,
27,
82,
82,
82,
82
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
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[
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[
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],
[
0.25,
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],
[
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0.25,
0.25
],
[
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
]
] | {
"a": 7.4734601974487305,
"b": 7.4734601974487305,
"c": 7.4734601974487305,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Th2CoPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481240 | [
"Na",
"Co",
"Th"
] | [
11,
11,
11,
11,
90,
90,
90,
90,
90,
90,
90,
90,
27,
27,
27,
27
] | 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,
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0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.245453834533691,
"b": 7.245453834533691,
"c": 7.245453834533691,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaTh2Co | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_rim3TfOBI8L1_Em_PebH9X3VJm4_ | [
"Na",
"Hg",
"Th"
] | [
11,
11,
11,
11,
90,
90,
90,
90,
90,
90,
90,
90,
80,
80,
80,
80
] | 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
],
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[
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0.25
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[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 7.680619239807129,
"b": 7.680619239807129,
"c": 7.680619239807129,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaTh2Hg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_qYruuOzSsV_SjHvT-n_N_7f3WlP5 | [
"Te",
"Pr",
"Th"
] | [
59,
59,
59,
59,
90,
90,
90,
90,
90,
90,
90,
90,
52,
52,
52,
52
] | 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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0,
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],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.917733669281006,
"b": 7.917733669281006,
"c": 7.917733669281006,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrTh2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481284 | [
"Ba",
"Er",
"Th"
] | [
56,
56,
56,
56,
68,
68,
68,
68,
90,
90,
90,
90,
90,
90,
90,
90
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
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0.5
],
[
0.5,
0,
0.5
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[
0.5,
0.5,
0
],
[
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[
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0.25
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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
]
] | {
"a": 8.317159652709961,
"b": 8.317159652709961,
"c": 8.317159652709961,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaErTh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481302 | [
"Ag",
"Os",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
47,
47,
47,
47,
76,
76,
76,
76
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
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],
[
0.25,
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0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
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0.25
],
[
0.75,
0.25,
0.25
],
[
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
]
] | {
"a": 7.2494940757751465,
"b": 7.2494940757751465,
"c": 7.2494940757751465,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Th2AgOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_lSJw9Fh9QQv65ITvXcFFmihcHkVK | [
"Zn",
"Cs",
"Th"
] | [
55,
55,
55,
55,
90,
90,
90,
90,
90,
90,
90,
90,
30,
30,
30,
30
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
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0.25
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[
0.25,
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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": 7.752051830291748,
"b": 7.752051830291748,
"c": 7.752051830291748,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsTh2Zn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_V9U11LAjBA4t-BUZXJ72GnAZvVbZ | [
"Pd",
"Ac",
"Th"
] | [
89,
89,
89,
89,
90,
90,
90,
90,
90,
90,
90,
90,
46,
46,
46,
46
] | 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
],
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0.25,
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],
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0.25,
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[
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0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.684031009674072,
"b": 7.684031009674072,
"c": 7.684031009674072,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcTh2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481354 | [
"Pd",
"Au",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
46,
46,
46,
46,
79,
79,
79,
79
] | 16 | 3 | [
[
0.25,
0.75,
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tar:OQMD_481369 | [
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tar:OQMD_481396 | [
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tar:NOMAD_T6dCYmYna15GX9o4FbJX7JE3uJZt | [
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tar:NOMAD_d_hecz84SY6ZJUnWilOCMKnHmm9X | [
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tar:NOMAD_6RgWo_rIVjkbzQLxHkShNRACyhQD | [
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tar:OQMD_481456 | [
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tar:NOMAD_FRVmEkWMyAnjhOtEw4JYHwauos7E | [
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tar:OQMD_481487 | [
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tar:OQMD_481498 | [
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tar:NOMAD_PhVlwxBw-PekBImNB--KcIqWsl4a | [
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tar:NOMAD_BsHcW8Ho-lXjrW0Jlcfr35CT_Wu_ | [
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tar:NOMAD_Ezo4SOZMz6T8dyuR-XGKTtrlmNme | [
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tar:OQMD_481561 | [
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} | 225 | Th2WAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_0AszuBfsdsqIYyhrfz3hiCCRg8C8 | [
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90,
90,
90,
90,
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12,
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12,
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31,
31,
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} | 225 | Th2MgGa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481583 | [
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61,
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90,
90,
90,
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93,
93,
93,
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} | 225 | PmTh2Np | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_912698 | [
"Fe",
"Tb",
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90,
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90,
90,
90,
90,
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26,
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} | 225 | TbTh2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_4KTlerrQ-vfF2sy8ifUiCwCybGvl | [
"Mo",
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90,
90,
90,
90,
90,
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49,
49,
49,
42,
42,
42,
42
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} | 225 | Th2InMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481634 | [
"Ru",
"Pd",
"Th"
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90,
90,
90,
90,
90,
90,
90,
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46,
46,
46,
44,
44,
44,
44
] | 16 | 3 | [
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} | 225 | Th2PdRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481653 | [
"Zr",
"Ac",
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] | [
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89,
90,
90,
90,
90,
90,
90,
90,
90,
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40,
40,
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} | 225 | AcTh2Zr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_gtALVmoP_Lv3JRbPLOHaHszWkoaF | [
"Sc",
"Au",
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90,
90,
90,
90,
90,
90,
21,
21,
21,
21,
79,
79,
79,
79
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"alpha": 90,
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} | 225 | Th2ScAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481680 | [
"Zr",
"Ho",
"Th"
] | [
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67,
67,
67,
90,
90,
90,
90,
90,
90,
90,
90,
40,
40,
40,
40
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | HoTh2Zr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_lpHMIWgjOcLrmRRSe3D8YKSyxNLO | [
"Li",
"Eu",
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] | [
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3,
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63,
63,
63,
63,
90,
90,
90,
90,
90,
90,
90,
90
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"alpha": 90,
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} | 225 | LiEuTh2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_481711 | [
"Ce",
"Sm",
"Th"
] | [
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58,
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58,
62,
62,
62,
62,
90,
90,
90,
90,
90,
90,
90,
90
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | CeSmTh2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_2YdVDCSaV2jE43XXyGF7rAq__rC2 | [
"B",
"Na",
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] | [
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11,
11,
11,
90,
90,
90,
90,
90,
90,
90,
90,
5,
5,
5,
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] | {
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"alpha": 90,
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} | 225 | NaTh2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481742 | [
"Tl",
"Th",
"Pu"
] | [
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94,
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94,
90,
90,
90,
90,
90,
90,
90,
90,
81,
81,
81,
81
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] | {
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"alpha": 90,
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} | 225 | PuTh2Tl | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481758 | [
"Cr",
"Nb",
"Th"
] | [
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90,
90,
90,
90,
90,
90,
90,
41,
41,
41,
41,
24,
24,
24,
24
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | Th2NbCr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481770 | [
"V",
"Zn",
"Ta"
] | [
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73,
73,
73,
23,
23,
23,
23,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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] | {
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"c": 6.184579849243164,
"alpha": 90,
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"gamma": 90
} | 225 | TaVZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481784 | [
"Zn",
"In",
"Sm"
] | [
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62,
62,
62,
30,
30,
30,
30,
30,
30,
30,
30,
49,
49,
49,
49
] | 16 | 3 | [
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] | {
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"c": 6.907939910888672,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmZn2In | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481797 | [
"Cr",
"Cu",
"Zn"
] | [
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30,
30,
30,
30,
30,
30,
30,
24,
24,
24,
24,
29,
29,
29,
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"alpha": 90,
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} | 225 | Zn2CrCu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481809 | [
"Zn",
"Ge",
"Rb"
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37,
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37,
30,
30,
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30,
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30,
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32,
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"alpha": 90,
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"gamma": 90
} | 225 | RbZn2Ge | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481821 | [
"Zn",
"Gd",
"Pu"
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64,
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64,
94,
94,
94,
94,
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30,
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30,
30,
30,
30,
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] | 16 | 3 | [
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"alpha": 90,
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"gamma": 90
} | 225 | GdPuZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481836 | [
"Zn",
"Rb",
"Zr"
] | [
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37,
37,
37,
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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} | 225 | RbZrZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481854 | [
"Zn",
"Bi",
"Th"
] | [
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90,
90,
90,
30,
30,
30,
30,
30,
30,
30,
30,
83,
83,
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"alpha": 90,
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} | 225 | ThZn2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481869 | [
"Zn",
"Ce",
"Tm"
] | [
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58,
58,
58,
69,
69,
69,
69,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | CeTmZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481901 | [
"Zn",
"Pr",
"Os"
] | [
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59,
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59,
30,
30,
30,
30,
30,
30,
30,
30,
76,
76,
76,
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"alpha": 90,
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} | 225 | PrZn2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481918 | [
"Li",
"Zn",
"Os"
] | [
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3,
3,
3,
30,
30,
30,
30,
30,
30,
30,
30,
76,
76,
76,
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | LiZn2Os | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_481932 | [
"Zn",
"Eu",
"W"
] | [
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63,
63,
63,
30,
30,
30,
30,
30,
30,
30,
30,
74,
74,
74,
74
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"alpha": 90,
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"gamma": 90
} | 225 | EuZn2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481949 | [
"Cr",
"Zn",
"Sn"
] | [
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30,
30,
30,
30,
30,
30,
30,
24,
24,
24,
24,
50,
50,
50,
50
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Zn2CrSn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481965 | [
"Zn",
"Tc",
"Pd"
] | [
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30,
30,
30,
30,
30,
30,
30,
43,
43,
43,
43,
46,
46,
46,
46
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Zn2TcPd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_481994 | [
"Zn",
"Ba",
"Hg"
] | [
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56,
56,
56,
30,
30,
30,
30,
30,
30,
30,
30,
80,
80,
80,
80
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | BaZn2Hg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482023 | [
"Zn",
"Cs",
"Ho"
] | [
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55,
55,
55,
67,
67,
67,
67,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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] | {
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"c": 7.827877998352051,
"alpha": 90,
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} | 225 | CsHoZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482039 | [
"Zn",
"Tm",
"Tl"
] | [
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69,
69,
69,
81,
81,
81,
81,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | TmTlZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482053 | [
"Ca",
"Zn",
"Tb"
] | [
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20,
20,
20,
65,
65,
65,
65,
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"alpha": 90,
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} | 225 | CaTbZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482069 | [
"Zn",
"Cs",
"Sm"
] | [
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62,
62,
62,
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30,
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"alpha": 90,
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} | 225 | CsSmZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482084 | [
"Zn",
"Nb",
"Sn"
] | [
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41,
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41,
30,
30,
30,
30,
30,
30,
30,
30,
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50,
50,
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"alpha": 90,
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} | 225 | NbZn2Sn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482099 | [
"Zn",
"Nb",
"U"
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92,
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92,
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41,
41,
41,
30,
30,
30,
30,
30,
30,
30,
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"alpha": 90,
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} | 225 | UNbZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482113 | [
"Al",
"Zn",
"U"
] | [
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92,
92,
92,
13,
13,
13,
13,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | UAlZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482145 | [
"Zn",
"Pd",
"Ba"
] | [
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56,
56,
56,
30,
30,
30,
30,
30,
30,
30,
30,
46,
46,
46,
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"alpha": 90,
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} | 225 | BaZn2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482162 | [
"K",
"Zn",
"Gd"
] | [
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19,
19,
19,
64,
64,
64,
64,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | KGdZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482182 | [
"Zn",
"Tm",
"Pt"
] | [
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69,
69,
69,
30,
30,
30,
30,
30,
30,
30,
30,
78,
78,
78,
78
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | TmZn2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482198 | [
"Sc",
"Zn",
"Ga"
] | [
21,
21,
21,
21,
30,
30,
30,
30,
30,
30,
30,
30,
31,
31,
31,
31
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] | {
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"alpha": 90,
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} | 225 | ScZn2Ga | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482237 | [
"Zn",
"Lu",
"W"
] | [
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71,
71,
71,
30,
30,
30,
30,
30,
30,
30,
30,
74,
74,
74,
74
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | LuZn2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482253 | [
"Co",
"Zn",
"Tm"
] | [
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69,
69,
69,
30,
30,
30,
30,
30,
30,
30,
30,
27,
27,
27,
27
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] | {
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"alpha": 90,
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} | 225 | TmZn2Co | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482273 | [
"Cu",
"Zn",
"Sr"
] | [
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38,
38,
38,
30,
30,
30,
30,
30,
30,
30,
30,
29,
29,
29,
29
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[
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | SrZn2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482289 | [
"Zn",
"Pm",
"Th"
] | [
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61,
61,
61,
90,
90,
90,
90,
30,
30,
30,
30,
30,
30,
30,
30
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] | {
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"alpha": 90,
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} | 225 | PmThZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482305 | [
"Co",
"Zn",
"Th"
] | [
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90,
90,
90,
30,
30,
30,
30,
30,
30,
30,
30,
27,
27,
27,
27
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | ThZn2Co | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482318 | [
"Zn",
"Rh",
"Hf"
] | [
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72,
72,
72,
30,
30,
30,
30,
30,
30,
30,
30,
45,
45,
45,
45
] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | HfZn2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482330 | [
"Zn",
"Ge",
"Pr"
] | [
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59,
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59,
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30,
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30,
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30,
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32,
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} | 225 | PrZn2Ge | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482347 | [
"K",
"Zn",
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] | [
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19,
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19,
30,
30,
30,
30,
30,
30,
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83,
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"alpha": 90,
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} | 225 | KZn2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482378 | [
"Co",
"Zn",
"Bi"
] | [
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30,
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30,
30,
30,
30,
27,
27,
27,
27,
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83,
83,
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"alpha": 90,
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} | 225 | Zn2CoBi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482395 | [
"Zn",
"Mo",
"Lu"
] | [
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71,
71,
71,
30,
30,
30,
30,
30,
30,
30,
30,
42,
42,
42,
42
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"alpha": 90,
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} | 225 | LuZn2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482413 | [
"Mg",
"Fe",
"Zn"
] | [
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12,
12,
12,
30,
30,
30,
30,
30,
30,
30,
30,
26,
26,
26,
26
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"alpha": 90,
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"gamma": 90
} | 225 | MgZn2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482426 | [
"Zn",
"Nd",
"Pt"
] | [
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60,
60,
60,
30,
30,
30,
30,
30,
30,
30,
30,
78,
78,
78,
78
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] | {
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"alpha": 90,
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} | 225 | NdZn2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482440 | [
"Na",
"Zn",
"Tc"
] | [
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11,
11,
11,
30,
30,
30,
30,
30,
30,
30,
30,
43,
43,
43,
43
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | NaZn2Tc | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482455 | [
"Al",
"Mn",
"Zn"
] | [
25,
25,
25,
25,
13,
13,
13,
13,
30,
30,
30,
30,
30,
30,
30,
30
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"alpha": 90,
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"gamma": 90
} | 225 | MnAlZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482473 | [
"Zn",
"Ba",
"Au"
] | [
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56,
56,
56,
30,
30,
30,
30,
30,
30,
30,
30,
79,
79,
79,
79
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | BaZn2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482488 | [
"Cr",
"Zn",
"Ga"
] | [
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30,
30,
30,
30,
30,
30,
30,
24,
24,
24,
24,
31,
31,
31,
31
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | Zn2CrGa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482510 | [
"Zn",
"Au",
"Tl"
] | [
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81,
81,
81,
30,
30,
30,
30,
30,
30,
30,
30,
79,
79,
79,
79
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | TlZn2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482526 | [
"V",
"Cu",
"Zn"
] | [
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23,
23,
23,
30,
30,
30,
30,
30,
30,
30,
30,
29,
29,
29,
29
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | VZn2Cu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482539 | [
"Zn",
"Tl",
"Np"
] | [
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93,
93,
93,
81,
81,
81,
81,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | NpTlZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482552 | [
"Ca",
"Zn",
"Hg"
] | [
20,
20,
20,
20,
30,
30,
30,
30,
30,
30,
30,
30,
80,
80,
80,
80
] | 16 | 3 | [
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] | {
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"c": 6.839975833892822,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaZn2Hg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482567 | [
"Zn",
"Te",
"Sm"
] | [
62,
62,
62,
62,
30,
30,
30,
30,
30,
30,
30,
30,
52,
52,
52,
52
] | 16 | 3 | [
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[
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0.25,
0.25
],
[
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0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.170129776000977,
"b": 7.170129776000977,
"c": 7.170129776000977,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmZn2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482583 | [
"Zn",
"Ge",
"Ru"
] | [
30,
30,
30,
30,
30,
30,
30,
30,
32,
32,
32,
32,
44,
44,
44,
44
] | 16 | 3 | [
[
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,
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0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
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[
0,
0,
0
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[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.208621978759766,
"b": 6.208621978759766,
"c": 6.208621978759766,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2GeRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482600 | [
"Sc",
"Zn",
"As"
] | [
21,
21,
21,
21,
30,
30,
30,
30,
30,
30,
30,
30,
33,
33,
33,
33
] | 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
],
[
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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": 6.589613914489746,
"b": 6.589613914489746,
"c": 6.589613914489746,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ScZn2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482618 | [
"V",
"Zn",
"Th"
] | [
90,
90,
90,
90,
23,
23,
23,
23,
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": 6.8253560066223145,
"b": 6.8253560066223145,
"c": 6.8253560066223145,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ThVZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_6PfIr_9ov9qtq7053A8ELM-oE5c1 | [
"Ca",
"Zn",
"Mo"
] | [
20,
20,
20,
20,
30,
30,
30,
30,
30,
30,
30,
30,
42,
42,
42,
42
] | 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,
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0.25
],
[
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],
[
0.25,
0.25,
0.75
],
[
0.25,
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0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
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0.25,
0.25
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.632411479949951,
"b": 6.632411479949951,
"c": 6.632411479949951,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaZn2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_913756 | [
"Zn",
"Nd",
"Th"
] | [
60,
60,
60,
60,
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,
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": 7.1258931159973145,
"b": 7.1258931159973145,
"c": 7.1258931159973145,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdThZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482669 | [
"Cr",
"Zn",
"Gd"
] | [
64,
64,
64,
64,
30,
30,
30,
30,
30,
30,
30,
30,
24,
24,
24,
24
] | 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": 6.636961936950684,
"b": 6.636961936950684,
"c": 6.636961936950684,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GdZn2Cr | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482699 | [
"Li",
"Zn",
"Ru"
] | [
3,
3,
3,
3,
30,
30,
30,
30,
30,
30,
30,
30,
44,
44,
44,
44
] | 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": 6.025177955627441,
"b": 6.025177955627441,
"c": 6.025177955627441,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiZn2Ru | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_482715 | [
"Si",
"Zn",
"Pb"
] | [
30,
30,
30,
30,
30,
30,
30,
30,
14,
14,
14,
14,
82,
82,
82,
82
] | 16 | 3 | [
[
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
],
[
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
]
] | {
"a": 6.793756008148193,
"b": 6.793756008148193,
"c": 6.793756008148193,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2SiPb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482757 | [
"Zn",
"Sb",
"Pt"
] | [
30,
30,
30,
30,
30,
30,
30,
30,
51,
51,
51,
51,
78,
78,
78,
78
] | 16 | 3 | [
[
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
],
[
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
]
] | {
"a": 6.544722080230713,
"b": 6.544722080230713,
"c": 6.544722080230713,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2SbPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482774 | [
"Zn",
"Ru",
"W"
] | [
30,
30,
30,
30,
30,
30,
30,
30,
44,
44,
44,
44,
74,
74,
74,
74
] | 16 | 3 | [
[
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,
0.5,
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
]
] | {
"a": 6.087306022644043,
"b": 6.087306022644043,
"c": 6.087306022644043,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Zn2RuW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482790 | [
"Mn",
"Zn",
"Tm"
] | [
69,
69,
69,
69,
25,
25,
25,
25,
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": 6.364295959472656,
"b": 6.364295959472656,
"c": 6.364295959472656,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TmMnZn2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_482805 | [
"Zn",
"Pt",
"Pa"
] | [
91,
91,
91,
91,
30,
30,
30,
30,
30,
30,
30,
30,
78,
78,
78,
78
] | 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": 6.567026138305664,
"b": 6.567026138305664,
"c": 6.567026138305664,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaZn2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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