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_368916 | [
"Mn",
"Cd",
"Os"
] | [
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25,
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48,
48,
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76,
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] | {
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"b": 6.150536060333252,
"c": 6.150536060333252,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MnCdOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368934 | [
"Sn",
"Os",
"Tl"
] | [
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81,
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50,
50,
50,
76,
76,
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] | {
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"b": 6.539363861083984,
"c": 6.539363861083984,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TlSnOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368949 | [
"Al",
"Ga",
"Os"
] | [
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13,
13,
13,
31,
31,
31,
31,
76,
76,
76,
76,
76,
76,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AlGaOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368964 | [
"Tc",
"Gd",
"Os"
] | [
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64,
64,
64,
43,
43,
43,
43,
76,
76,
76,
76,
76,
76,
76,
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] | 16 | 3 | [
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] | {
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"b": 6.470250129699707,
"c": 6.470250129699707,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GdTcOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368976 | [
"Pr",
"Os",
"Th"
] | [
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59,
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59,
90,
90,
90,
90,
76,
76,
76,
76,
76,
76,
76,
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] | 16 | 3 | [
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] | {
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"b": 7.11729621887207,
"c": 7.11729621887207,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrThOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_368992 | [
"V",
"Os",
"Pa"
] | [
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91,
91,
91,
23,
23,
23,
23,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
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] | {
"a": 6.515081882476807,
"b": 6.515081882476807,
"c": 6.515081882476807,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaVOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369006 | [
"Ba",
"Os",
"Au"
] | [
56,
56,
56,
56,
76,
76,
76,
76,
76,
76,
76,
76,
79,
79,
79,
79
] | 16 | 3 | [
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] | {
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"b": 6.82332181930542,
"c": 6.82332181930542,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaOs2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_YlbeINO_OUw2QmYyjPXIt_HETlvY | [
"Mo",
"Tb",
"Os"
] | [
65,
65,
65,
65,
42,
42,
42,
42,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
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] | {
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"c": 6.492334842681885,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbMoOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369034 | [
"In",
"Sb",
"Os"
] | [
49,
49,
49,
49,
51,
51,
51,
51,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | InSbOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369049 | [
"W",
"Re",
"Os"
] | [
75,
75,
75,
75,
76,
76,
76,
76,
76,
76,
76,
76,
74,
74,
74,
74
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | ReOs2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369068 | [
"Ag",
"Os",
"Hg"
] | [
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47,
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47,
80,
80,
80,
80,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | AgHgOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369084 | [
"Ca",
"Os",
"Hg"
] | [
20,
20,
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20,
80,
80,
80,
80,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
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] | {
"a": 6.607329845428467,
"b": 6.607329845428467,
"c": 6.607329845428467,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaHgOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_zwSS3oVSjPHlkchOqTVFe_OlneE8 | [
"Te",
"Sm",
"Os"
] | [
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62,
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62,
52,
52,
52,
52,
76,
76,
76,
76,
76,
76,
76,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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"gamma": 90
} | 225 | SmTeOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369111 | [
"Tc",
"Os",
"U"
] | [
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92,
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92,
43,
43,
43,
43,
76,
76,
76,
76,
76,
76,
76,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | UTcOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369123 | [
"Pd",
"Cd",
"Os"
] | [
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48,
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48,
76,
76,
76,
76,
76,
76,
76,
76,
46,
46,
46,
46
] | 16 | 3 | [
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} | 225 | CdOs2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369136 | [
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tar:OQMD_369147 | [
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tar:OQMD_369162 | [
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tar:OQMD_369177 | [
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} | 225 | HoAgOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369188 | [
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tar:NOMAD_RKrTX5JOOEX77J2haIR744qfXaYB | [
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} | 225 | MgMnOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369217 | [
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} | 225 | PmReOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369233 | [
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} | 225 | HfCdOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369248 | [
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} | 225 | NdBiOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_R3WNfWtTRSOnXU4h3Hie2D9HSWPe | [
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} | 225 | LiNdOs2 | general_inorganic | true | 4 | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_369278 | [
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} | 225 | HgOs2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369291 | [
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} | 225 | SbOs2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369306 | [
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} | 225 | Os2RuW | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_B9eBD0MJSimEktFnVWXeZcPPdpct | [
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} | 225 | TmMnOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369335 | [
"Te",
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} | 225 | PuTeOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369351 | [
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} | 225 | FeOs2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_0Q_1206dXz9z82ZBonaAqvuIHbQ8 | [
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} | 225 | CePmOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369397 | [
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} | 225 | PmHgOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_dTjDX2f0rwBAmdiUMlRBatmT8p6v | [
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} | 225 | ErOs2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369425 | [
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} | 225 | SmHoOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369437 | [
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} | 225 | YCdOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_P1B7xmxA3tatrAWAoA6kVwy6cips | [
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} | 225 | ErSnOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_kQ-oHypUlmscyF5vzktZx6ELgYIt | [
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} | 225 | SrPuOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369478 | [
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42,
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} | 225 | MgMoOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369493 | [
"Na",
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76,
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} | 225 | NaPrOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369511 | [
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"Y",
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39,
39,
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76,
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} | 225 | CaYOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369529 | [
"Ce",
"W",
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76,
76,
76,
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} | 225 | CeOs2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369541 | [
"Re",
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76,
76,
76,
76,
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76,
76,
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78,
78,
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} | 225 | ReOs2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_O07ynmZyfQ6htKN0IO70V8-MlVE7 | [
"Mn",
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51,
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76,
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tar:OQMD_369573 | [
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tar:OQMD_369588 | [
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tar:OQMD_369617 | [
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tar:OQMD_369632 | [
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tar:OQMD_369650 | [
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tar:OQMD_369670 | [
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tar:OQMD_369680 | [
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tar:OQMD_369694 | [
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tar:NOMAD_okSZifhxu-TirDoy0AgcX0l0XEJc | [
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tar:OQMD_369727 | [
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tar:NOMAD_yfaAuxS6cYADiA-LFgrR9lTtG6d0 | [
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} | 225 | NdPaOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369760 | [
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} | 225 | KTaOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369778 | [
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tar:NOMAD_Xs-RdE8_oVPpeSm-3FmGED1C7jFn | [
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} | 225 | PrLuOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369806 | [
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"alpha": 90,
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} | 225 | LuUOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_cTknjRgPWXFLlFAj9xZP9Akx3M-P | [
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} | 225 | LaMnOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369835 | [
"Cu",
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} | 225 | CuOs2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369847 | [
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"alpha": 90,
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} | 225 | LiHfOs2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:NOMAD_FTk-z6VXUZSwVeTNmXnANL8iHhFs | [
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} | 225 | BaAlOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_UGhzHjJoUTUon1SH5PcGLdY-OQrZ | [
"Ti",
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22,
76,
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} | 225 | PaTiOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_hM72qzpTwWLT2MwQmZyuEKkMwuBi | [
"Gd",
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76,
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"alpha": 90,
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} | 225 | GdBiOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369915 | [
"Mn",
"Ni",
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] | [
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25,
28,
28,
28,
28,
76,
76,
76,
76,
76,
76,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | MnNiOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_e9-vk07xDlv1YaET23jzbOMEe-yt | [
"Te",
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76,
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] | 16 | 3 | [
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"alpha": 90,
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} | 225 | UTeOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369951 | [
"B",
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"Os"
] | [
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72,
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5,
5,
5,
76,
76,
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76,
76,
76,
76,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | HfBOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369966 | [
"Ca",
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] | [
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89,
89,
89,
76,
76,
76,
76,
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76,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | CaAcOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_369992 | [
"Fe",
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] | [
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26,
26,
26,
76,
76,
76,
76,
76,
76,
76,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | PmFeOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370002 | [
"Cu",
"Tc",
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] | [
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29,
43,
43,
43,
43,
76,
76,
76,
76,
76,
76,
76,
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] | 16 | 3 | [
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] | {
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} | 225 | CuTcOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370017 | [
"Cs",
"Tb",
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] | [
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65,
65,
65,
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76,
76,
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76,
76,
76,
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] | 16 | 3 | [
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] | {
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"alpha": 90,
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} | 225 | CsTbOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370035 | [
"Mn",
"Zn",
"Os"
] | [
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30,
30,
30,
30,
76,
76,
76,
76,
76,
76,
76,
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] | 16 | 3 | [
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] | {
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} | 225 | MnZnOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370047 | [
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tar:OQMD_370060 | [
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tar:OQMD_370075 | [
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tar:NOMAD_g2GlclYoHbEaL8xrgFRodlXgClv8 | [
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tar:OQMD_370106 | [
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tar:OQMD_370121 | [
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tar:NOMAD_gWD5fIFT9p9mNLjM9BQdvuSqjtGa | [
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tar:NOMAD_HF5Cz0q-GHgHdOTiu6fyz_7AhrUe | [
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tar:OQMD_370170 | [
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tar:NOMAD_bEI-ZYBiPb2GcGMjYt_pIvT076xA | [
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} | 225 | SrCoOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370201 | [
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} | 225 | LaAsOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370215 | [
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} | 225 | KZrOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370230 | [
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} | 225 | LiVOs2 | general_inorganic | true | 4 | null | null | null | null | [
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] | external_cif_tar |
tar:OQMD_370242 | [
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} | 225 | CuNiOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_bpJRw-ThI0d7rkMcGtBZD1gyd15y | [
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[
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[
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[
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],
[
0.75,
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] | {
"a": 6.527047157287598,
"b": 6.527047157287598,
"c": 6.527047157287598,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbCdOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_epWLoVXHEWiuPp068Kl6p0fRTvEn | [
"Al",
"Tm",
"Os"
] | [
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69,
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13,
13,
13,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
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[
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"b": 6.403319358825684,
"c": 6.403319358825684,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TmAlOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370286 | [
"Te",
"Os",
"Pb"
] | [
52,
52,
52,
52,
76,
76,
76,
76,
76,
76,
76,
76,
82,
82,
82,
82
] | 16 | 3 | [
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[
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[
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[
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[
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]
] | {
"a": 6.67975378036499,
"b": 6.67975378036499,
"c": 6.67975378036499,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TeOs2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370297 | [
"Ti",
"Lu",
"Os"
] | [
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71,
71,
71,
22,
22,
22,
22,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
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[
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[
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[
0.25,
0.25,
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],
[
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] | {
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"b": 6.401010036468506,
"c": 6.401010036468506,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LuTiOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370312 | [
"Mo",
"Sb",
"Os"
] | [
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51,
51,
51,
42,
42,
42,
42,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
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0,
0
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] | {
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"b": 6.391550064086914,
"c": 6.391550064086914,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SbMoOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370327 | [
"Os",
"Pt",
"U"
] | [
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92,
92,
92,
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76,
76,
76,
76,
76,
76,
76,
78,
78,
78,
78
] | 16 | 3 | [
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[
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] | {
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"alpha": 90,
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} | 225 | UOs2Pt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370339 | [
"B",
"Mn",
"Os"
] | [
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25,
25,
25,
5,
5,
5,
5,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
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],
[
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] | {
"a": 5.731259822845459,
"b": 5.731259822845459,
"c": 5.731259822845459,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MnBOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370355 | [
"Cd",
"Te",
"Os"
] | [
48,
48,
48,
48,
52,
52,
52,
52,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
[
0,
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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": 6.486660003662109,
"b": 6.486660003662109,
"c": 6.486660003662109,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CdTeOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370374 | [
"Nb",
"Os",
"Au"
] | [
41,
41,
41,
41,
76,
76,
76,
76,
76,
76,
76,
76,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
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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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[
0,
0.5,
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],
[
0.5,
0,
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[
0.5,
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0.5
]
] | {
"a": 6.330570220947266,
"b": 6.330570220947266,
"c": 6.330570220947266,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NbOs2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370388 | [
"Ca",
"As",
"Os"
] | [
20,
20,
20,
20,
33,
33,
33,
33,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
[
0,
0,
0
],
[
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[
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[
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[
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[
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[
0.75,
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],
[
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]
] | {
"a": 6.36885404586792,
"b": 6.36885404586792,
"c": 6.36885404586792,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaAsOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370403 | [
"Sn",
"Os",
"Th"
] | [
90,
90,
90,
90,
50,
50,
50,
50,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
[
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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[
0.75,
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],
[
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0.75
]
] | {
"a": 6.847504138946533,
"b": 6.847504138946533,
"c": 6.847504138946533,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ThSnOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_p4c6nlXTRRA20k_NRlUELC1_nwXu | [
"Nd",
"Eu",
"Os"
] | [
60,
60,
60,
60,
63,
63,
63,
63,
76,
76,
76,
76,
76,
76,
76,
76
] | 16 | 3 | [
[
0,
0,
0
],
[
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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],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
]
] | {
"a": 6.932837009429932,
"b": 6.932837009429932,
"c": 6.932837009429932,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdEuOs2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_370435 | [
"Pd",
"Os",
"Ac"
] | [
89,
89,
89,
89,
76,
76,
76,
76,
76,
76,
76,
76,
46,
46,
46,
46
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
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],
[
0.5,
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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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[
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[
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[
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[
0,
0.5,
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],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.705235958099365,
"b": 6.705235958099365,
"c": 6.705235958099365,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcOs2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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