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{
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"id": "mp-1401498",
"created_at": "2022-09-04T14:42:53.952818Z",
"structure_string": "Mg2 Sn3 O8\n1.0\n3.133749 5.398792 0.000000\n-3.133749 5.398792 0.000000\n0.000000 1.888322 4.928714\nMg Sn O\n2 3 8\ndirect\n0.714253 0.714253 0.854964 Mg\n0.285747 0.285747 0.145036 Mg\n0.000000 0.000000 0.000000 Sn\n0.736192 0.263808 0.500000 Sn\n0.263808 0.736192 0.500000 Sn\n0.390508 0.390508 0.410098 O\n0.609492 0.609492 0.589902 O\n0.890154 0.890154 0.426271 O\n0.109846 0.109846 0.573729 O\n0.346274 0.894140 0.091192 O\n0.894140 0.346274 0.091192 O\n0.105860 0.653726 0.908808 O\n0.653726 0.105860 0.908808 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.30439763991314,
"density_atomic": 0.07795050527783817,
"volume": 166.77249177108263,
"volume_molar": 7.725595541087702,
"formula_full": "Mg2 Sn3 O8",
"formula_reduced": "Mg2Sn3O8",
"formula_anonymous": "A2B3C8",
"energy": -84.91059561,
"energy_per_atom": -6.531584277692308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.41459561,
"band_gap": 2.1152999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002545,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.986000Z",
"spacegroup": 12
},
{
"id": "mp-775961",
"created_at": "2022-09-04T14:42:53.866208Z",
"structure_string": "Li8 Mn2 Sn2 W4 O24\n1.0\n5.429009 -0.014336 -0.009023\n-0.001271 5.836805 -8.476570\n0.581507 6.162099 4.238396\nLi Mn Sn W O\n8 2 2 4 24\ndirect\n0.564089 0.001562 0.296521 Li\n0.564082 0.501538 0.296509 Li\n0.085857 0.248548 0.778266 Li\n0.085796 0.748580 0.778239 Li\n0.551967 0.001481 0.765557 Li\n0.551899 0.501510 0.765532 Li\n0.071239 0.248165 0.293568 Li\n0.071049 0.748192 0.293586 Li\n0.504351 0.248794 0.503509 Mn\n0.504297 0.748775 0.503525 Mn\n0.002396 0.000471 0.002066 Sn\n0.002444 0.500494 0.002086 Sn\n0.000874 0.998522 0.501721 W\n0.503515 0.251898 0.002737 W\n0.503528 0.751920 0.002767 W\n0.000899 0.498537 0.501752 W\n0.791145 0.147950 0.431976 O\n0.791115 0.647936 0.431995 O\n0.976116 0.063998 0.740612 O\n0.976099 0.564022 0.740647 O\n0.178989 0.169748 0.053493 O\n0.179011 0.669861 0.053593 O\n0.291627 0.100918 0.435232 O\n0.291656 0.600916 0.435302 O\n0.321182 0.404243 0.927317 O\n0.321183 0.904242 0.927327 O\n0.478820 0.189502 0.745974 O\n0.478777 0.689559 0.746044 O\n0.491430 0.309850 0.246267 O\n0.491513 0.809823 0.246201 O\n0.661873 0.091380 0.056199 O\n0.661898 0.591369 0.056190 O\n0.685087 0.402347 0.552183 O\n0.685080 0.902340 0.552172 O\n0.805466 0.337717 0.925622 O\n0.805475 0.837729 0.925648 O\n0.987561 0.435784 0.258257 O\n0.987523 0.935798 0.258238 O\n0.189124 0.347049 0.554094 O\n0.188768 0.846933 0.553872 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Sn",
"W",
"O"
],
"chemical_system": "Li-Mn-O-Sn-W",
"density": 6.04717746928423,
"density_atomic": 0.09569748805946893,
"volume": 417.98380303506974,
"volume_molar": 6.292893243193263,
"formula_full": "Li8 Mn2 Sn2 W4 O24",
"formula_reduced": "Li4MnSn(WO6)2",
"formula_anonymous": "ABC2D4E12",
"energy": -299.68910273999995,
"energy_per_atom": -7.492227568499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.11310274,
"band_gap": 1.0090000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.000123,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.225000Z",
"spacegroup": 1
}
]
}