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"structure_string": "Ta4 Co4 Te8\n1.0\n6.340121 0.000000 0.000000\n0.000000 7.790364 0.000000\n0.000000 3.547278 7.768290\nTa Co Te\n4 4 8\ndirect\n0.978577 0.309089 0.485501 Ta\n0.478577 0.190911 0.514499 Ta\n0.021423 0.690911 0.514499 Ta\n0.521423 0.809089 0.485501 Ta\n0.849583 0.942655 0.600390 Co\n0.150417 0.057345 0.399610 Co\n0.650417 0.442655 0.600390 Co\n0.349583 0.557345 0.399610 Co\n0.256760 0.360027 0.720371 Te\n0.243240 0.860027 0.720371 Te\n0.756760 0.139973 0.279629 Te\n0.743240 0.639973 0.279629 Te\n0.250868 0.901046 0.200076 Te\n0.750868 0.598954 0.799924 Te\n0.749132 0.098954 0.799924 Te\n0.249132 0.401046 0.200076 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ta",
"Co",
"Te"
],
"chemical_system": "Co-Ta-Te",
"density": 8.570470954757434,
"density_atomic": 0.04170030735824597,
"volume": 383.6902174975481,
"volume_molar": 14.441478112532808,
"formula_full": "Ta4 Co4 Te8",
"formula_reduced": "TaCoTe2",
"formula_anonymous": "ABC2",
"energy": -109.69046481,
"energy_per_atom": -6.855654050625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.31446481,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.09e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.007000Z",
"spacegroup": 14
},
{
"id": "mp-570963",
"created_at": "2022-09-04T14:41:58.487179Z",
"structure_string": "Ta4 Cr8\n1.0\n2.450859 -4.245012 0.000000\n2.450859 4.245012 0.000000\n0.000000 0.000000 8.044106\nTa Cr\n4 8\ndirect\n0.333333 0.666667 0.439127 Ta\n0.666667 0.333333 0.939127 Ta\n0.666667 0.333333 0.560873 Ta\n0.333333 0.666667 0.060873 Ta\n0.169686 0.339371 0.750000 Cr\n0.169686 0.830314 0.750000 Cr\n0.339371 0.169686 0.250000 Cr\n0.830314 0.660629 0.250000 Cr\n0.000000 0.000000 0.000000 Cr\n0.660629 0.830314 0.750000 Cr\n0.830314 0.169686 0.250000 Cr\n0.000000 0.000000 0.500000 Cr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ta",
"Cr"
],
"chemical_system": "Cr-Ta",
"density": 11.307265801426254,
"density_atomic": 0.07169291132064144,
"volume": 167.38056495335854,
"volume_molar": 8.399911021978733,
"formula_full": "Ta4 Cr8",
"formula_reduced": "TaCr2",
"formula_anonymous": "AB2",
"energy": -125.87133123,
"energy_per_atom": -10.4892776025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.87133123,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003837,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.158000Z",
"spacegroup": 194
}
]
}