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{
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{
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{
"id": "mp-1112673",
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"structure_string": "Cs2 Li1 Sb1 I6\n1.0\n0.000000 6.053899 6.053899\n6.053899 0.000000 6.053899\n6.053899 6.053899 0.000000\nCs Li Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.749251 0.250749 0.250749 I\n0.250749 0.250749 0.749251 I\n0.250749 0.749251 0.749251 I\n0.250749 0.749251 0.250749 I\n0.749251 0.250749 0.749251 I\n0.749251 0.749251 0.250749 I\n",
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{
"id": "mp-1360641",
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{
"id": "mp-1021390",
"created_at": "2022-09-04T14:42:46.488212Z",
"structure_string": "Mg12 Sn2 Mo2\n1.0\n4.956357 0.000000 0.000000\n0.000000 6.261585 0.000000\n0.000000 0.000000 10.654459\nMg Sn Mo\n12 2 2\ndirect\n0.000000 0.261064 0.085981 Mg\n0.000000 0.738936 0.085981 Mg\n0.000000 0.500000 0.833724 Mg\n0.500000 0.254763 0.918767 Mg\n0.500000 0.745237 0.918767 Mg\n0.500000 0.500000 0.665772 Mg\n0.000000 0.761064 0.585981 Mg\n0.000000 0.238936 0.585981 Mg\n0.000000 0.000000 0.333724 Mg\n0.500000 0.754763 0.418767 Mg\n0.500000 0.245237 0.418767 Mg\n0.500000 0.000000 0.165772 Mg\n0.000000 0.500000 0.324863 Sn\n0.000000 0.000000 0.824863 Sn\n0.500000 0.500000 0.166146 Mo\n0.500000 0.000000 0.666146 Mo\n",
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{
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{
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"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5267372,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:27.227000Z",
"spacegroup": 191
},
{
"id": "mp-1185780",
"created_at": "2022-09-04T14:46:25.144677Z",
"structure_string": "Mg6 C2\n1.0\n3.874722 -6.711215 0.000000\n3.874722 6.711215 0.000000\n0.000000 0.000000 3.087098\nMg C\n6 2\ndirect\n0.210621 0.421242 0.250000 Mg\n0.578758 0.789379 0.250000 Mg\n0.210621 0.789379 0.250000 Mg\n0.789379 0.210621 0.750000 Mg\n0.421242 0.210621 0.750000 Mg\n0.789379 0.578758 0.750000 Mg\n0.666667 0.333333 0.250000 C\n0.333333 0.666667 0.750000 C\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"C"
],
"chemical_system": "C-Mg",
"density": 1.7566939906013002,
"density_atomic": 0.049827359620482584,
"volume": 160.55436332434985,
"volume_molar": 12.086012194642704,
"formula_full": "Mg6 C2",
"formula_reduced": "Mg3C",
"formula_anonymous": "AB3",
"energy": -23.4028008,
"energy_per_atom": -2.9253501,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.4028008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013337,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.670000Z",
"spacegroup": 194
}
]
}