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{
"id": "mp-1103766",
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{
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{
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{
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{
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"structure_string": "Rb3 Bi1\n1.0\n0.000000 4.573358 4.573358\n4.573358 0.000000 4.573358\n4.573358 4.573358 0.000000\nRb Bi\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Bi\n",
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{
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{
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{
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{
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{
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"total_magnetization": 19.9030338,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.114000Z",
"spacegroup": 204
},
{
"id": "mp-29607",
"created_at": "2022-09-04T14:44:56.508852Z",
"structure_string": "Ag1 Te6 Mo6\n1.0\n2.307442 9.264261 0.000000\n-2.307442 9.264261 0.000000\n0.000000 5.052239 8.280108\nAg Te Mo\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.121776 0.121776 0.388523 Te\n0.544179 0.544179 0.162580 Te\n0.455821 0.455821 0.837420 Te\n0.822056 0.822056 0.247453 Te\n0.177944 0.177944 0.752547 Te\n0.878224 0.878224 0.611477 Te\n0.714194 0.714194 0.888014 Mo\n0.285806 0.285806 0.111986 Mo\n0.846014 0.846014 0.930240 Mo\n0.153986 0.153986 0.069760 Mo\n0.688992 0.688992 0.185072 Mo\n0.311008 0.311008 0.814928 Mo\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Mo"
],
"chemical_system": "Ag-Mo-Te",
"density": 6.797392360765508,
"density_atomic": 0.03672279937075247,
"volume": 354.00351342369964,
"volume_molar": 16.39891528747745,
"formula_full": "Ag1 Te6 Mo6",
"formula_reduced": "Ag(TeMo)6",
"formula_anonymous": "AB6C6",
"energy": -89.69968962,
"energy_per_atom": -6.899976124615384,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.69968962,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002027,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.998000Z",
"spacegroup": 12
},
{
"id": "mp-10530",
"created_at": "2022-09-04T14:44:56.517787Z",
"structure_string": "Tm2 Al1 Si2\n1.0\n-2.010960 2.892105 4.257313\n2.010960 -2.892105 4.257313\n2.010960 2.892105 -4.257313\nTm Al Si\n2 1 2\ndirect\n0.711175 0.211175 0.500000 Tm\n0.288825 0.788825 0.500000 Tm\n0.000000 0.000000 0.000000 Al\n0.289042 0.500000 0.789042 Si\n0.710958 0.500000 0.210958 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Al",
"Si"
],
"chemical_system": "Al-Si-Tm",
"density": 7.058944259483033,
"density_atomic": 0.050484370307415996,
"volume": 99.04055392893582,
"volume_molar": 11.92872313416845,
"formula_full": "Tm2 Al1 Si2",
"formula_reduced": "Tm2AlSi2",
"formula_anonymous": "AB2C2",
"energy": -26.95454539,
"energy_per_atom": -5.390909078,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.09654539,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.355000Z",
"spacegroup": 71
}
]
}