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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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"created_at": "2022-09-04T14:43:42.298774Z",
"structure_string": "Co1 Te1 Pb2 O6\n1.0\n0.000000 4.047186 4.047186\n4.047186 0.000000 4.047186\n4.047186 4.047186 0.000000\nCo Te Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Te\n0.750000 0.750000 0.750000 Pb\n0.250000 0.250000 0.250000 Pb\n0.744607 0.255393 0.744607 O\n0.255393 0.744607 0.255393 O\n0.255393 0.744607 0.744607 O\n0.255393 0.255393 0.744607 O\n0.744607 0.255393 0.255393 O\n0.744607 0.744607 0.255393 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Co",
"Te",
"Pb",
"O"
],
"chemical_system": "Co-O-Pb-Te",
"density": 8.728678883555876,
"density_atomic": 0.07542416519674215,
"volume": 132.58350256731694,
"volume_molar": 7.9843651491420395,
"formula_full": "Co1 Te1 Pb2 O6",
"formula_reduced": "CoTe(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy": -60.941670810000005,
"energy_per_atom": -6.094167081,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.18167081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0027112,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:14.353000Z",
"spacegroup": 225
},
{
"id": "mp-1114026",
"created_at": "2022-09-04T14:43:42.482518Z",
"structure_string": "Rb2 Na1 Au1 Br6\n1.0\n0.000000 5.557169 5.557169\n5.557169 0.000000 5.557169\n5.557169 5.557169 0.000000\nRb Na Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.760253 0.239747 0.239747 Br\n0.239747 0.239747 0.760253 Br\n0.239747 0.760253 0.760253 Br\n0.239747 0.760253 0.239747 Br\n0.760253 0.239747 0.760253 Br\n0.760253 0.760253 0.239747 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Au",
"Br"
],
"chemical_system": "Au-Br-Na-Rb",
"density": 4.210515064817908,
"density_atomic": 0.02913460880804745,
"volume": 343.2344009107765,
"volume_molar": 20.670058759589683,
"formula_full": "Rb2 Na1 Au1 Br6",
"formula_reduced": "Rb2NaAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -29.65374327,
"energy_per_atom": -2.965374327,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.44974327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0750042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.402000Z",
"spacegroup": 225
},
{
"id": "mp-1187936",
"created_at": "2022-09-04T14:43:42.594862Z",
"structure_string": "Zn3 Si1\n1.0\n-1.964759 1.964759 3.953055\n1.964759 -1.964759 3.953055\n1.964759 1.964759 -3.953055\nZn Si\n3 1\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Si"
],
"chemical_system": "Si-Zn",
"density": 6.1022662322959595,
"density_atomic": 0.06553126770658023,
"volume": 61.03956385996094,
"volume_molar": 9.189721137342344,
"formula_full": "Zn3 Si1",
"formula_reduced": "Zn3Si",
"formula_anonymous": "AB3",
"energy": -8.418286870000001,
"energy_per_atom": -2.1045717175000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.48928687,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.31e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.327000Z",
"spacegroup": 139
}
]
}