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{
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"structure_string": "Cu4 As8 S6 Cl4\n1.0\n6.075829 0.000000 -1.380195\n0.000000 7.012626 0.000000\n0.022249 0.000000 11.775958\nCu As S Cl\n4 8 6 4\ndirect\n0.442296 0.971442 0.812021 Cu\n0.557705 0.028558 0.187978 Cu\n0.442296 0.528558 0.812021 Cu\n0.557705 0.471442 0.187978 Cu\n0.735203 0.068782 0.604641 As\n0.988232 0.250000 0.899480 As\n0.735203 0.431218 0.604641 As\n0.076387 0.250000 0.590949 As\n0.923613 0.750000 0.409050 As\n0.264797 0.568782 0.395358 As\n0.011768 0.750000 0.100520 As\n0.264797 0.931218 0.395358 As\n0.197396 0.003152 0.199956 S\n0.802605 0.503152 0.800044 S\n0.197396 0.496849 0.199956 S\n0.257080 0.250000 0.785406 S\n0.742920 0.750000 0.214594 S\n0.802605 -0.003152 0.800044 S\n0.386764 0.750000 0.949012 Cl\n0.290152 0.750000 0.645145 Cl\n0.613236 0.250000 0.050988 Cl\n0.709848 0.250000 0.354855 Cl\n",
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{
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"structure_string": "Li4 Mn2 Sn2 P4 O16\n1.0\n0.000000 4.828883 -0.029022\n6.354854 0.000000 0.000000\n0.000000 -0.053279 -11.069897\nLi Mn Sn P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.564987 0.250000 0.208162 Mn\n0.435012 0.750000 0.791838 Mn\n0.026976 0.750000 0.279745 Sn\n0.973023 0.250000 0.720255 Sn\n0.413713 0.250000 0.925555 P\n0.853200 0.750000 0.606268 P\n0.146799 0.250000 0.393732 P\n0.586286 0.750000 0.074445 P\n0.288566 0.052104 0.859382 O\n0.288566 0.447896 0.859382 O\n0.708580 0.555984 0.667416 O\n0.708580 0.944015 0.667416 O\n0.168304 0.750000 0.621250 O\n0.249941 0.250000 0.526720 O\n0.750058 0.750000 0.473280 O\n0.267793 0.750000 0.076434 O\n0.291419 0.055985 0.332584 O\n0.291419 0.444015 0.332584 O\n0.711434 0.552104 0.140618 O\n0.711434 0.947895 0.140618 O\n0.732206 0.250000 0.923566 O\n0.286913 0.250000 0.054725 O\n0.831695 0.250000 0.378751 O\n0.713086 0.750000 0.945275 O\n",
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"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",
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"density_atomic": 0.07273581053440256,
"volume": 329.9612642475262,
"volume_molar": 8.279471577692325,
"formula_full": "Na4 Y2 P2 C2 O14",
"formula_reduced": "Na2YPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.576633620833333,
"spacegroup": 11
}
]
}