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{
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"structure_string": "Fe1 Co1 Sb4\n1.0\n3.270839 0.000000 0.000000\n0.000000 5.741837 0.000000\n0.000000 0.015321 6.474212\nFe Co Sb\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Co\n0.500000 0.304506 0.143812 Sb\n0.500000 0.695494 0.856188 Sb\n0.000000 0.804925 0.354461 Sb\n0.000000 0.195075 0.645539 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Fe",
"Co",
"Sb"
],
"chemical_system": "Co-Fe-Sb",
"density": 8.21897137493345,
"density_atomic": 0.049346267311872805,
"volume": 121.58974380127813,
"volume_molar": 12.203842535727242,
"formula_full": "Fe1 Co1 Sb4",
"formula_reduced": "FeCoSb4",
"formula_anonymous": "ABC4",
"energy": -33.472491760000004,
"energy_per_atom": -5.578748626666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.70449176,
"band_gap": 0.0,
"is_gap_direct": false,
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"updated_at": "2021-11-28T01:38:28.635000Z",
"spacegroup": 10
},
{
"id": "mp-1216855",
"created_at": "2022-09-04T14:48:08.915068Z",
"structure_string": "Ti1 Cu2 Sn1\n1.0\n3.331637 0.000000 0.000000\n0.000000 3.331637 0.000000\n0.000000 0.000000 5.851736\nTi Cu Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.717979 Cu\n0.000000 0.000000 0.282021 Cu\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"Cu",
"Sn"
],
"chemical_system": "Cu-Sn-Ti",
"density": 7.507703692517371,
"density_atomic": 0.06158286838084487,
"volume": 64.95312909530186,
"volume_molar": 9.778922155358982,
"formula_full": "Ti1 Cu2 Sn1",
"formula_reduced": "TiCu2Sn",
"formula_anonymous": "ABC2",
"energy": -20.12217047,
"energy_per_atom": -5.0305426175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.12217047,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5794283,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.859000Z",
"spacegroup": 123
},
{
"id": "mp-1236652",
"created_at": "2022-09-04T14:48:08.916049Z",
"structure_string": "Li1 Cu6 O1 F11\n1.0\n2.803893 0.140180 -4.633775\n0.000423 4.698410 -0.136191\n7.783729 -0.129746 4.767243\nLi Cu O F\n1 6 1 11\ndirect\n0.492742 0.701209 0.798239 Li\n0.994138 0.992105 0.004207 Cu\n0.471192 0.521164 0.079509 Cu\n0.337932 0.984948 0.327168 Cu\n0.825770 0.506247 0.329520 Cu\n0.157050 0.489353 0.639668 Cu\n0.684537 0.050517 0.627206 Cu\n0.556382 0.706452 0.251497 O\n0.265259 0.186594 0.082627 F\n0.061225 0.774387 0.256045 F\n0.779408 0.278431 0.089153 F\n0.110717 0.279382 0.408740 F\n0.608697 0.202911 0.407043 F\n0.378922 0.806769 0.603373 F\n0.870633 0.705907 0.565352 F\n0.455847 0.318102 0.730681 F\n0.227650 0.698609 0.930992 F\n0.958191 0.213087 0.728675 F\n0.726208 0.792157 0.929364 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-Li-O",
"density": 4.387697319407493,
"density_atomic": 0.08187283763103288,
"volume": 232.0671977393182,
"volume_molar": 7.355480687183832,
"formula_full": "Li1 Cu6 O1 F11",
"formula_reduced": "LiCu6OF11",
"formula_anonymous": "ABC6D11",
"energy": -86.21319301000001,
"energy_per_atom": -4.537536474210527,
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"energy_uncorrected": -80.44419301000002,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.3404245,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.659000Z",
"spacegroup": 1
}
]
}