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{
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{
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{
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"formula_full": "Li2 Sn4 P6 O24",
"formula_reduced": "LiSn2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -114.95679814,
"energy_per_atom": -3.193244392777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.79679814,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0417846,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.375000Z",
"spacegroup": 2
},
{
"id": "mp-1344789",
"created_at": "2022-09-04T14:39:11.671698Z",
"structure_string": "Li2 Al2 Si6 O16\n1.0\n7.130415 0.000000 0.000000\n-0.932302 7.277744 0.000000\n-2.607980 -3.679992 6.123122\nLi Al Si O\n2 2 6 16\ndirect\n0.849639 0.970559 0.751344 Li\n0.150361 0.029441 0.248656 Li\n0.799625 0.309830 0.837972 Al\n0.200375 0.690170 0.162028 Al\n0.627757 0.763033 0.450314 Si\n0.372243 0.236967 0.549686 Si\n0.755530 0.644488 0.172860 Si\n0.244470 0.355512 0.827140 Si\n0.709205 0.205965 0.221142 Si\n0.290795 0.794035 0.778858 Si\n0.727403 0.984054 0.446667 O\n0.272597 0.015946 0.553333 O\n0.629846 0.189608 0.687688 O\n0.370154 0.810392 0.312312 O\n0.053673 0.243667 0.884625 O\n0.946327 0.756333 0.115375 O\n0.726918 0.699222 0.333998 O\n0.273082 0.300778 0.666002 O\n0.839414 0.174677 0.112637 O\n0.160586 0.825323 0.887363 O\n0.798201 0.384249 0.292296 O\n0.201799 0.615751 0.707704 O\n0.541686 0.733338 0.944083 O\n0.458314 0.266662 0.055917 O\n0.711085 0.580719 0.704093 O\n0.288915 0.419281 0.295907 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Li-O-Si",
"density": 2.572984688871344,
"density_atomic": 0.08182553496311111,
"volume": 317.74922109243056,
"volume_molar": 7.359732829996069,
"formula_full": "Li2 Al2 Si6 O16",
"formula_reduced": "LiAlSi3O8",
"formula_anonymous": "ABC3D8",
"energy": -87.07918786,
"energy_per_atom": -3.349199533076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.08718786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0303286,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.822000Z",
"spacegroup": 2
}
]
}