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{
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"created_at": "2022-09-04T14:37:56.116145Z",
"updated_at": "2022-09-04T14:37:56.116165Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.210319 -0.131787 -0.002001\n-2.111169 4.316970 -0.001730\n0.008685 0.009265 19.706980\nSn H C F\n2 24 12 4\ndirect\n0.094879 0.017716 0.526459 Sn\n0.514091 0.913513 0.026446 Sn\n0.165281 0.682063 0.910619 H\n0.481120 0.540567 0.926554 H\n0.988156 0.079062 0.891264 H\n0.665582 0.201176 0.870212 H\n0.620767 0.852205 0.391251 H\n0.443647 0.249178 0.410651 H\n0.127806 0.390662 0.426599 H\n0.213744 0.167646 0.283924 H\n0.892240 0.290821 0.305662 H\n0.716715 0.640432 0.247247 H\n0.395216 0.763618 0.268982 H\n-0.056680 0.730057 0.370201 H\n0.395227 0.763600 0.783898 H\n0.716746 0.640449 0.805639 H\n0.620803 0.852189 0.661647 H\n-0.056615 0.730079 0.682700 H\n0.127831 0.390671 0.626347 H\n0.988219 0.079056 0.161660 H\n0.443680 0.249190 0.642288 H\n0.665672 0.201214 0.182707 H\n0.165336 0.682102 0.142256 H\n0.481164 0.540600 0.126313 H\n0.892226 0.290823 0.747268 H\n0.213751 0.167679 0.769010 H\n0.935310 0.080886 0.302240 C\n0.709672 0.991925 0.873268 C\n0.161819 0.177346 0.423408 C\n0.899255 0.939320 0.373270 C\n0.447110 0.753886 0.923384 C\n0.673655 0.850374 0.250670 C\n0.709726 0.991944 0.179638 C\n0.899293 0.939332 0.679641 C\n0.935319 0.080897 0.750681 C\n0.447162 0.753921 0.129499 C\n0.161850 0.177358 0.629521 C\n0.673654 0.850374 0.802228 C\n0.081940 0.030782 0.026445 F\n0.527028 0.900453 0.526442 F\n0.830239 0.538261 0.526464 F\n0.778751 0.392977 0.026446 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 2.2679846088910733,
"density_atomic": 0.11907875446884729,
"volume": 352.7077536823565,
"volume_molar": 5.05727557099657,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 4.036130107857144,
"spacegroup": 11
},
{
"id": "jvasp-120422",
"created_at": "2022-09-04T14:38:52.807372Z",
"updated_at": "2022-09-04T14:38:52.807402Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.957778 -0.008550 0.576966\n4.154977 2.704774 0.576966\n-0.012305 -0.003641 17.490970\nLi Mn Co O\n8 2 4 14\ndirect\n0.294476 0.294475 0.931293 Li\n0.856587 0.856584 0.776304 Li\n0.408868 0.408867 0.625283 Li\n-0.002956 -0.002956 0.501135 Li\n0.567312 0.567310 0.360931 Li\n0.142039 0.142038 0.220227 Li\n0.720151 0.720149 0.078668 Li\n0.710123 0.710121 0.562205 Li\n0.007409 0.007409 0.006073 Mn\n0.580143 0.580141 0.860400 Mn\n0.856428 0.856425 0.285134 Co\n0.431355 0.431354 0.145578 Co\n0.132729 0.132728 0.697572 Co\n0.282802 0.282800 0.427639 Co\n0.063141 0.063140 0.108562 O\n0.374452 0.374451 0.040922 O\n0.948737 0.948734 0.903614 O\n0.514286 0.514284 0.765326 O\n0.058536 0.058536 0.608816 O\n0.656171 0.656168 0.454969 O\n0.229593 0.229592 0.320158 O\n0.804147 0.804144 0.180642 O\n0.208656 0.208655 0.834073 O\n0.770808 0.770805 0.680605 O\n0.350069 0.350068 0.520635 O\n0.910659 0.910656 0.385868 O\n0.485125 0.485123 0.247137 O\n0.638189 0.638187 0.970239 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.413658405744303,
"density_atomic": 0.11905245996295337,
"volume": 235.19043628928804,
"volume_molar": 5.058392545499658,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5594952529556654,
"spacegroup": 8
}
]
}