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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-57058",
"created_at": "2022-09-04T14:37:39.524162Z",
"updated_at": "2022-09-04T14:37:39.524177Z",
"structure_string": "Ba4 Si4 Cu2 O14\n1.0\n6.652038 0.137857 -1.528836\n-1.856503 6.389211 -1.528836\n0.021250 0.028922 8.601594\nBa Si Cu O\n4 4 2 14\ndirect\n0.186920 0.269881 0.971445 Ba\n0.269882 0.186920 0.471445 Ba\n0.730119 0.813080 0.528553 Ba\n0.813081 0.730119 0.028554 Ba\n0.385786 0.841399 0.140883 Si\n0.614215 0.158600 0.859115 Si\n0.158601 0.614215 0.359116 Si\n0.841400 0.385785 0.640883 Si\n0.739002 0.260999 0.249999 Cu\n0.260999 0.739001 0.749999 Cu\n0.031612 0.372564 0.257467 O\n0.968388 0.627435 0.742532 O\n0.308961 0.618447 0.538444 O\n0.670099 0.329902 0.749999 O\n0.016117 0.777636 0.364981 O\n0.381553 0.691039 0.961554 O\n0.627436 0.968388 0.242532 O\n0.691040 0.381553 0.461555 O\n0.329902 0.670098 0.249999 O\n0.983884 0.222364 0.635018 O\n0.777637 0.016117 0.864981 O\n0.372565 0.031612 0.757467 O\n0.222364 0.983883 0.135018 O\n0.618448 0.308961 0.038444 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Si",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Si",
"density": 4.565333495092592,
"density_atomic": 0.06515375241810809,
"volume": 368.35944376596973,
"volume_molar": 9.242968419308227,
"formula_full": "Ba4 Si4 Cu2 O14",
"formula_reduced": "Ba2CuSi2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.034236174166667,
"spacegroup": 15
}
]
}