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{
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{
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{
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{
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"formula_full": "La2 S8 N10 O32",
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"formula_anonymous": "AB4C5D16",
"energy": -305.69884762,
"energy_per_atom": -5.878823992692308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -283.71484762,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 19.9988249,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.894000Z",
"spacegroup": 15
},
{
"id": "mp-1208958",
"created_at": "2022-09-04T14:40:13.771103Z",
"structure_string": "Sm16 Mg4 Ir4\n1.0\n0.000000 7.016578 7.016578\n7.016578 0.000000 7.016578\n7.016578 7.016578 0.000000\nSm Mg Ir\n16 4 4\ndirect\n0.596105 0.596105 0.596105 Sm\n0.596105 0.596105 0.211685 Sm\n0.596105 0.211685 0.596105 Sm\n0.211685 0.596105 0.596105 Sm\n0.062320 0.437680 0.437680 Sm\n0.437680 0.062320 0.062320 Sm\n0.437680 0.062320 0.437680 Sm\n0.062320 0.437680 0.062320 Sm\n0.437680 0.437680 0.062320 Sm\n0.062320 0.062320 0.437680 Sm\n0.186493 0.813507 0.813507 Sm\n0.813507 0.186493 0.186493 Sm\n0.813507 0.186493 0.813507 Sm\n0.186493 0.813507 0.186493 Sm\n0.813507 0.813507 0.186493 Sm\n0.186493 0.186493 0.813507 Sm\n0.828595 0.828595 0.828595 Mg\n0.828595 0.828595 0.514214 Mg\n0.828595 0.514214 0.828595 Mg\n0.514214 0.828595 0.828595 Mg\n0.391234 0.391234 0.391234 Ir\n0.391234 0.391234 0.826298 Ir\n0.391234 0.826298 0.391234 Ir\n0.826298 0.391234 0.391234 Ir\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Ir"
],
"chemical_system": "Ir-Mg-Sm",
"density": 7.86386680569978,
"density_atomic": 0.03473802903179952,
"volume": 690.8854839757943,
"volume_molar": 17.335873473095656,
"formula_full": "Sm16 Mg4 Ir4",
"formula_reduced": "Sm4MgIr",
"formula_anonymous": "ABC4",
"energy": -126.58836319,
"energy_per_atom": -5.274515132916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -126.58836319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.674000Z",
"spacegroup": 216
},
{
"id": "mp-8780",
"created_at": "2022-09-04T14:40:21.569418Z",
"structure_string": "Cr6 N3\n1.0\n2.392307 -4.143597 0.000000\n2.392307 4.143597 0.000000\n0.000000 0.000000 4.409684\nCr N\n6 3\ndirect\n0.000000 0.673724 0.746519 Cr\n0.673724 0.000000 0.746519 Cr\n0.326276 0.326276 0.746519 Cr\n0.673724 0.673724 0.253481 Cr\n0.000000 0.326276 0.253481 Cr\n0.326276 0.000000 0.253481 Cr\n0.000000 0.000000 0.000000 N\n0.666667 0.333333 0.500000 N\n0.333333 0.666667 0.500000 N\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 6.723825369413457,
"density_atomic": 0.10294627195912831,
"volume": 87.42424401316035,
"volume_molar": 5.849790036487097,
"formula_full": "Cr6 N3",
"formula_reduced": "Cr2N",
"formula_anonymous": "AB2",
"energy": -87.48281588,
"energy_per_atom": -9.720312875555557,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.39981588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0357702,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.285000Z",
"spacegroup": 162
}
]
}