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_457455 | [
"Mn",
"Ho",
"Er"
] | [
67,
67,
67,
67,
67,
67,
67,
67,
68,
68,
68,
68,
25,
25,
25,
25
] | 16 | 3 | [
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] | {
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"b": 7.242256164550781,
"c": 7.242256164550781,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ho2ErMn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_7A7vHgMvzTqxbg-kpslz-b8prCTG | [
"Fe",
"Rb",
"Ho"
] | [
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37,
37,
37,
67,
67,
67,
67,
67,
67,
67,
67,
26,
26,
26,
26
] | 16 | 3 | [
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] | {
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"b": 7.507907390594482,
"c": 7.507907390594482,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbHo2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457493 | [
"B",
"Zr",
"Ho"
] | [
67,
67,
67,
67,
67,
67,
67,
67,
40,
40,
40,
40,
5,
5,
5,
5
] | 16 | 3 | [
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[
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],
[
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] | {
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"b": 7.014091968536377,
"c": 7.014091968536377,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ho2ZrB | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457509 | [
"V",
"Ho",
"Yb"
] | [
70,
70,
70,
70,
67,
67,
67,
67,
67,
67,
67,
67,
23,
23,
23,
23
] | 16 | 3 | [
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0
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]
] | {
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"b": 7.545814037322998,
"c": 7.545814037322998,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbHo2V | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457525 | [
"Fe",
"Nd",
"Ho"
] | [
60,
60,
60,
60,
67,
67,
67,
67,
67,
67,
67,
67,
26,
26,
26,
26
] | 16 | 3 | [
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0,
0,
0
],
[
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],
[
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]
] | {
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"b": 7.2478461265563965,
"c": 7.2478461265563965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdHo2Fe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457542 | [
"Sb",
"Tb",
"Ho"
] | [
65,
65,
65,
65,
67,
67,
67,
67,
67,
67,
67,
67,
51,
51,
51,
51
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
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],
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[
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]
] | {
"a": 7.580413818359375,
"b": 7.580413818359375,
"c": 7.580413818359375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbHo2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457567 | [
"Mn",
"Dy",
"Ho"
] | [
66,
66,
66,
66,
67,
67,
67,
67,
67,
67,
67,
67,
25,
25,
25,
25
] | 16 | 3 | [
[
0,
0.5,
0
],
[
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0.5
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]
] | {
"a": 7.228246212005615,
"b": 7.228246212005615,
"c": 7.228246212005615,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | DyHo2Mn | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457586 | [
"Ca",
"Ho",
"Re"
] | [
20,
20,
20,
20,
67,
67,
67,
67,
67,
67,
67,
67,
75,
75,
75,
75
] | 16 | 3 | [
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0,
0.5,
0
],
[
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0,
0.5
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]
] | {
"a": 7.247583866119385,
"b": 7.247583866119385,
"c": 7.247583866119385,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaHo2Re | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457600 | [
"La",
"Ho",
"Pt"
] | [
57,
57,
57,
57,
67,
67,
67,
67,
67,
67,
67,
67,
78,
78,
78,
78
] | 16 | 3 | [
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0,
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0
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] | {
"a": 7.25970983505249,
"b": 7.25970983505249,
"c": 7.25970983505249,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaHo2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457613 | [
"In",
"Eu",
"Ho"
] | [
63,
63,
63,
63,
67,
67,
67,
67,
67,
67,
67,
67,
49,
49,
49,
49
] | 16 | 3 | [
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0
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] | {
"a": 7.717398166656494,
"b": 7.717398166656494,
"c": 7.717398166656494,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuHo2In | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_m8goTGsLe-eCoqNlzWSAyj13_65_ | [
"Pm",
"Ho",
"Ta"
] | [
61,
61,
61,
61,
67,
67,
67,
67,
67,
67,
67,
67,
73,
73,
73,
73
] | 16 | 3 | [
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] | {
"a": 7.5268874168396,
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"c": 7.5268874168396,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmHo2Ta | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457643 | [
"Ca",
"Sr",
"Ho"
] | [
38,
38,
38,
38,
20,
20,
20,
20,
67,
67,
67,
67,
67,
67,
67,
67
] | 16 | 3 | [
[
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],
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0.75,
0.25,
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],
[
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0.75,
0.75
]
] | {
"a": 8.400544166564941,
"b": 8.400544166564941,
"c": 8.400544166564941,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrCaHo2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_c8JtMPqQ4B1RgUmKpWLQBo16JG_2 | [
"Na",
"Cd",
"Ho"
] | [
11,
11,
11,
11,
67,
67,
67,
67,
67,
67,
67,
67,
48,
48,
48,
48
] | 16 | 3 | [
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] | {
"a": 7.511349678039551,
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"c": 7.511349678039551,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaHo2Cd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_3ymFsBmhvQO8hbbmY9gkmICaNKlx | [
"Zr",
"Ho",
"Au"
] | [
67,
67,
67,
67,
67,
67,
67,
67,
40,
40,
40,
40,
79,
79,
79,
79
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ho2ZrAu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_AG26UlPyBJLL3sGcjwEVfrQ_Ou7E | [
"Na",
"Ho",
"Au"
] | [
11,
11,
11,
11,
67,
67,
67,
67,
67,
67,
67,
67,
79,
79,
79,
79
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | NaHo2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457699 | [
"As",
"Sm",
"Ho"
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67,
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} | 225 | SmHo2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457715 | [
"Mg",
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} | 225 | Ho2HfMg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457728 | [
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67,
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67,
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"alpha": 90,
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} | 225 | SmHo2Th | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_HNdSRuplodDst295nI7gBThBv0-U | [
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67,
67,
67,
67,
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40,
40,
40,
32,
32,
32,
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} | 225 | Ho2ZrGe | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457760 | [
"Ru",
"In",
"Ho"
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67,
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67,
67,
67,
67,
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49,
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} | 225 | Ho2InRu | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457773 | [
"Ba",
"Ho",
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67,
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91,
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} | 225 | BaHo2Pa | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457785 | [
"Mg",
"Eu",
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67,
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67,
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} | 225 | EuHo2Mg | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457801 | [
"Cr",
"Cd",
"Ho"
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67,
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67,
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24,
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"alpha": 90,
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} | 225 | Ho2CrCd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457818 | [
"Ru",
"La",
"Ho"
] | [
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67,
67,
67,
67,
67,
67,
67,
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"alpha": 90,
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} | 225 | LaHo2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457832 | [
"Na",
"Nb",
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] | [
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11,
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11,
41,
41,
41,
41,
77,
77,
77,
77,
77,
77,
77,
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"alpha": 90,
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} | 225 | NaNbIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_omm0IiXdT6t0gg3r0YmOHghQ-8p9 | [
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] | [
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60,
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60,
81,
81,
81,
81,
77,
77,
77,
77,
77,
77,
77,
77
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"alpha": 90,
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} | 225 | NdTlIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457853 | [
"Rh",
"Re",
"Ir"
] | [
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75,
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77,
77,
77,
77,
77,
77,
77,
77,
45,
45,
45,
45
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} | 225 | ReIr2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457879 | [
"Zn",
"Te",
"Ir"
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30,
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30,
52,
52,
52,
52,
77,
77,
77,
77,
77,
77,
77,
77
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] | {
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"alpha": 90,
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} | 225 | ZnTeIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457898 | [
"Sb",
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51,
51,
51,
51,
77,
77,
77,
77,
77,
77,
77,
77
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | CeSbIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457918 | [
"Al",
"Rh",
"Ir"
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} | 225 | AlIr2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457932 | [
"Ga",
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} | 225 | SrGaIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457948 | [
"Si",
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} | 225 | TaSiIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457979 | [
"Pd",
"Sb",
"Ir"
] | [
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} | 225 | SbIr2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_457993 | [
"Nd",
"Tm",
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] | [
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} | 225 | NdTmIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_l-LI83nRBvDhMKjEXkqmBdxC2L9v | [
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} | 225 | NaDyIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458048 | [
"Sm",
"Ir",
"Ac"
] | [
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} | 225 | AcSmIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458058 | [
"Zn",
"Tm",
"Ir"
] | [
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} | 225 | TmZnIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458070 | [
"Tb",
"Ir",
"Au"
] | [
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77,
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} | 225 | TbIr2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458083 | [
"B",
"Re",
"Ir"
] | [
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} | 225 | ReBIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_yuoGhDgny_V4n5WP2jFmkvGhUZlh | [
"Zn",
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30,
30,
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77,
77,
77,
77,
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] | {
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} | 225 | GdZnIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458112 | [
"Ca",
"Ni",
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] | [
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28,
28,
28,
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77,
77,
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77,
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] | {
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} | 225 | CaNiIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458125 | [
"In",
"Yb",
"Ir"
] | [
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49,
49,
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77,
77,
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77,
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] | {
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} | 225 | YbInIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458138 | [
"Zr",
"Ir",
"Pt"
] | [
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77,
77,
77,
77,
77,
77,
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78,
78,
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] | {
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"alpha": 90,
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} | 225 | ZrIr2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458154 | [
"Ge",
"Gd",
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] | [
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32,
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77,
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tar:NOMAD_tu7U-TtUdZo-DsqYyIQ0zSqBKWjG | [
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tar:NOMAD_Czfvv8zUXRVoHoXETM6hzBk-CaSh | [
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tar:NOMAD_sVNyMAxYk16dV3gkj0b4VkXP8mfF | [
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tar:OQMD_458217 | [
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tar:OQMD_458232 | [
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tar:OQMD_458249 | [
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tar:OQMD_458265 | [
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tar:OQMD_458283 | [
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} | 225 | MnIr2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458300 | [
"Hf",
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} | 225 | HfNpIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458317 | [
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} | 225 | KHfIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_lqLJHKCaCqvGM-W5SaT4C6sJX5QQ | [
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} | 225 | KIr2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458366 | [
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} | 225 | LiAsIr2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:NOMAD_QSxaNr-sOPtwcizEwRqSr0WWzAyi | [
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} | 225 | EuTlIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458397 | [
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} | 225 | NdIr2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_jlLaDsnGbUTPNGUXkVF3h3W27EPF | [
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tar:OQMD_458428 | [
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} | 225 | LiBIr2 | general_inorganic | true | 4 | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_458445 | [
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} | 225 | NdZnIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458465 | [
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} | 225 | LaLuIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458489 | [
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} | 225 | NaGaIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458503 | [
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tar:OQMD_458516 | [
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tar:NOMAD_qBj39vf-m87qxSWn83MMC3uHRaZ_ | [
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} | 225 | PaVIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458543 | [
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"Os",
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} | 225 | HoIr2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458557 | [
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} | 225 | TiCdIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458569 | [
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} | 225 | PmLuIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458585 | [
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} | 225 | HgGeIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458601 | [
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} | 225 | SrPrIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458614 | [
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} | 225 | GeIr2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Nbu0hT2-puZuujwtbNCNjchWzUL1 | [
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"alpha": 90,
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} | 225 | LaDyIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458643 | [
"Os",
"Ir",
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] | [
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77,
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77,
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} | 225 | ThIr2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458658 | [
"Si",
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77,
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} | 225 | CdSiIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458667 | [
"Sc",
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77,
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} | 225 | ScAsIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458681 | [
"Co",
"Sm",
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] | [
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27,
27,
27,
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77,
77,
77,
77,
77,
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} | 225 | SmCoIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_CYh2iLX5f7vlYsgsafRaR-z_cgUI | [
"Y",
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39,
39,
39,
77,
77,
77,
77,
77,
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} | 225 | AcYIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458706 | [
"Sb",
"Dy",
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] | [
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51,
51,
77,
77,
77,
77,
77,
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} | 225 | DySbIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458721 | [
"Nd",
"Ir",
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] | [
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60,
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60,
90,
90,
90,
90,
77,
77,
77,
77,
77,
77,
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"alpha": 90,
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} | 225 | NdThIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458737 | [
"Te",
"Ir",
"Ac"
] | [
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52,
52,
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77,
77,
77,
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"alpha": 90,
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} | 225 | AcTeIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_YiYFBPOFdfDcqX-XpefM0D0RLPs8 | [
"Pm",
"Re",
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61,
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75,
77,
77,
77,
77,
77,
77,
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"alpha": 90,
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} | 225 | PmReIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458771 | [
"V",
"Ir",
"U"
] | [
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23,
23,
23,
77,
77,
77,
77,
77,
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} | 225 | UVIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458788 | [
"Zr",
"Ir",
"Pa"
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91,
91,
91,
91,
77,
77,
77,
77,
77,
77,
77,
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} | 225 | ZrPaIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458802 | [
"Ca",
"Tm",
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] | [
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20,
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69,
69,
69,
77,
77,
77,
77,
77,
77,
77,
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] | {
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} | 225 | CaTmIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458816 | [
"Li",
"Ir",
"Pb"
] | [
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77,
77,
77,
77,
77,
77,
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82,
82,
82,
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"alpha": 90,
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} | 225 | LiIr2Pb | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_458831 | [
"Tm",
"Os",
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] | [
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77,
77,
77,
77,
77,
77,
77,
77,
76,
76,
76,
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] | {
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} | 225 | TmIr2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458849 | [
"Ru",
"Cd",
"Ir"
] | [
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48,
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77,
77,
77,
77,
77,
77,
77,
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44,
44,
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44
] | 16 | 3 | [
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[
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0.75
],
[
0.25,
0.25,
0.25
],
[
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0.25
],
[
0,
0,
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0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.324182033538818,
"b": 6.324182033538818,
"c": 6.324182033538818,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CdIr2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ygtZh1kPvkSRe3tJfnwqHrq42Jmt | [
"Ca",
"Os",
"Ir"
] | [
20,
20,
20,
20,
77,
77,
77,
77,
77,
77,
77,
77,
76,
76,
76,
76
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
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[
0.5,
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[
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[
0.5,
0,
0
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[
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] | {
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"b": 6.433224678039551,
"c": 6.433224678039551,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaIr2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458880 | [
"Y",
"Rh",
"Ir"
] | [
39,
39,
39,
39,
77,
77,
77,
77,
77,
77,
77,
77,
45,
45,
45,
45
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
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[
0.5,
0.5,
0
],
[
0.25,
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[
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[
0.25,
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0.25
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[
0,
0.5,
0
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[
0.5,
0,
0
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[
0.5,
0.5,
0.5
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] | {
"a": 6.49619197845459,
"b": 6.49619197845459,
"c": 6.49619197845459,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YIr2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458895 | [
"Ti",
"Ta",
"Ir"
] | [
73,
73,
73,
73,
22,
22,
22,
22,
77,
77,
77,
77,
77,
77,
77,
77
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
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],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
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[
0.5,
0.5,
0
],
[
0.75,
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],
[
0.25,
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0.25
],
[
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],
[
0.25,
0.25,
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[
0.25,
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[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] | {
"a": 6.330230236053467,
"b": 6.330230236053467,
"c": 6.330230236053467,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TaTiIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458913 | [
"Y",
"W",
"Ir"
] | [
39,
39,
39,
39,
77,
77,
77,
77,
77,
77,
77,
77,
74,
74,
74,
74
] | 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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0.25,
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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
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 6.55537223815918,
"b": 6.55537223815918,
"c": 6.55537223815918,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YIr2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458925 | [
"Be",
"Tc",
"Ir"
] | [
4,
4,
4,
4,
43,
43,
43,
43,
77,
77,
77,
77,
77,
77,
77,
77
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
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0.5
],
[
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0,
0
],
[
0,
0,
0
],
[
0,
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],
[
0.5,
0,
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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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],
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0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] | {
"a": 6.013564109802246,
"b": 6.013564109802246,
"c": 6.013564109802246,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BeTcIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458939 | [
"Cr",
"Fe",
"Ir"
] | [
24,
24,
24,
24,
26,
26,
26,
26,
77,
77,
77,
77,
77,
77,
77,
77
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
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],
[
0,
0,
0
],
[
0,
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],
[
0.5,
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],
[
0.5,
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0
],
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0.25
],
[
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],
[
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],
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],
[
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0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
]
] | {
"a": 5.918158054351807,
"b": 5.918158054351807,
"c": 5.918158054351807,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CrFeIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458952 | [
"La",
"Ce",
"Ir"
] | [
57,
57,
57,
57,
58,
58,
58,
58,
77,
77,
77,
77,
77,
77,
77,
77
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
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],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
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0.75
],
[
0.25,
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],
[
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,
0.75,
0.75
]
] | {
"a": 7.183628082275391,
"b": 7.183628082275391,
"c": 7.183628082275391,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaCeIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_PQ5qeZz62IAQEZHiQSdYtTFAE6pR | [
"K",
"Ir",
"Au"
] | [
19,
19,
19,
19,
77,
77,
77,
77,
77,
77,
77,
77,
79,
79,
79,
79
] | 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": 6.649753093719482,
"b": 6.649753093719482,
"c": 6.649753093719482,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KIr2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_saPrRrz39FlrddEGDLETfcBODnMu | [
"Ge",
"Ir",
"Pu"
] | [
94,
94,
94,
94,
32,
32,
32,
32,
77,
77,
77,
77,
77,
77,
77,
77
] | 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,
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],
[
0.25,
0.25,
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],
[
0.25,
0.25,
0.25
],
[
0.25,
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": 6.486117362976074,
"b": 6.486117362976074,
"c": 6.486117362976074,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PuGeIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_458997 | [
"Tb",
"Ir",
"Pa"
] | [
65,
65,
65,
65,
91,
91,
91,
91,
77,
77,
77,
77,
77,
77,
77,
77
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
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0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
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0.75
],
[
0.25,
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],
[
0.25,
0.25,
0.25
],
[
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[
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": 6.922510147094727,
"b": 6.922510147094727,
"c": 6.922510147094727,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbPaIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_459016 | [
"La",
"Ir",
"Bi"
] | [
57,
57,
57,
57,
83,
83,
83,
83,
77,
77,
77,
77,
77,
77,
77,
77
] | 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": 7.027502059936523,
"b": 7.027502059936523,
"c": 7.027502059936523,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaBiIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_PWyDcj4d_sWTRd-iHm0NPWuy5S5o | [
"Ca",
"Pr",
"Ir"
] | [
20,
20,
20,
20,
59,
59,
59,
59,
77,
77,
77,
77,
77,
77,
77,
77
] | 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": 6.959000587463379,
"b": 6.959000587463379,
"c": 6.959000587463379,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaPrIr2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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