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"created_at": "2022-09-04T14:39:26.813040Z",
"structure_string": "Na4 Sn2 B2 P2 O14\n1.0\n6.765207 0.000000 0.000000\n0.000000 5.415790 0.000000\n0.000000 0.325247 9.401278\nNa Sn B P O\n4 2 2 2 14\ndirect\n0.491813 0.764885 0.809209 Na\n0.008187 0.764885 0.809209 Na\n0.508187 0.235115 0.190791 Na\n0.991813 0.235115 0.190791 Na\n0.250000 0.226449 0.655937 Sn\n0.750000 0.773551 0.344063 Sn\n0.250000 0.276000 0.923689 B\n0.750000 0.724000 0.076311 B\n0.750000 0.273215 0.566241 P\n0.250000 0.726785 0.433759 P\n0.750000 0.693299 0.938234 O\n0.250000 0.046669 0.852639 O\n0.250000 0.473438 0.815259 O\n0.934168 0.203281 0.655606 O\n0.565832 0.203281 0.655606 O\n0.250000 0.862941 0.577217 O\n0.750000 0.560329 0.532181 O\n0.250000 0.439671 0.467819 O\n0.750000 0.137059 0.422783 O\n0.434168 0.796719 0.344394 O\n0.065832 0.796719 0.344394 O\n0.750000 0.526562 0.184741 O\n0.750000 0.953331 0.147361 O\n0.250000 0.306701 0.061766 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Sn",
"B",
"P",
"O"
],
"chemical_system": "B-Na-O-P-Sn",
"density": 3.0705626111804554,
"density_atomic": 0.06967571610947491,
"volume": 344.4528645000369,
"volume_molar": 8.643098480018455,
"formula_full": "Na4 Sn2 B2 P2 O14",
"formula_reduced": "Na2SnBPO7",
"formula_anonymous": "ABCD2E7",
"energy": -165.5189082,
"energy_per_atom": -6.896621175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.9009082,
"band_gap": 1.8592,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020815,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.567000Z",
"spacegroup": 11
},
{
"id": "mp-23849",
"created_at": "2022-09-04T14:39:26.839882Z",
"structure_string": "Li4 H4 S2 O10\n1.0\n4.903990 0.000000 0.000000\n0.000000 5.555894 0.000000\n0.000000 2.432748 7.903719\nLi H S O\n4 4 2 10\ndirect\n0.510576 0.560266 0.605102 Li\n0.000971 0.696686 0.993212 Li\n0.010576 0.439734 0.394898 Li\n0.500971 0.303314 0.006788 Li\n0.866528 0.995061 0.440372 H\n0.114516 0.030291 0.309542 H\n0.366528 0.004939 0.559628 H\n0.614516 0.969709 0.690458 H\n0.997372 0.293323 0.791514 S\n0.497372 0.706677 0.208486 S\n0.887419 0.435205 0.621610 O\n0.387419 0.564795 0.378390 O\n0.536978 0.912887 0.598176 O\n0.376077 0.600991 0.078017 O\n0.299711 0.326857 0.790315 O\n0.799711 0.673143 0.209685 O\n0.876077 0.399009 0.921983 O\n0.036978 0.087113 0.401824 O\n0.924651 0.023606 0.828609 O\n0.424651 0.976394 0.171391 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"H",
"S",
"O"
],
"chemical_system": "H-Li-O-S",
"density": 1.973412608219217,
"density_atomic": 0.09287417672134245,
"volume": 215.34511212958088,
"volume_molar": 6.484192886111596,
"formula_full": "Li4 H4 S2 O10",
"formula_reduced": "Li2H2SO5",
"formula_anonymous": "AB2C2D5",
"energy": -118.79769017,
"energy_per_atom": -5.9398845085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.92769017,
"band_gap": 5.5815,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000121,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.762000Z",
"spacegroup": 4
}
]
}