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{
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{
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{
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{
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"created_at": "2022-09-04T14:40:06.992568Z",
"structure_string": "Li4 Fe2 Co4 O12\n1.0\n2.529142 4.395510 0.039361\n0.039409 0.068745 10.121449\n5.011892 0.041538 0.019633\nLi Fe Co O\n4 2 4 12\ndirect\n0.160950 0.749036 0.502854 Li\n0.336205 0.250969 0.502857 Li\n0.661951 0.749347 0.498616 Li\n0.839454 0.250656 0.498599 Li\n0.498861 0.499995 0.002294 Fe\n0.999154 0.000002 0.001645 Fe\n0.165049 0.500000 0.669871 Co\n0.666577 0.000004 0.666880 Co\n0.338692 0.000004 0.322621 Co\n0.835899 0.500002 0.328183 Co\n0.148940 0.596886 0.006102 O\n0.347598 0.097064 0.992388 O\n0.660054 0.902934 0.992358 O\n0.844956 0.403093 0.006083 O\n0.970627 0.891051 0.361935 O\n0.151237 0.396405 0.351867 O\n0.496880 0.603587 0.351856 O\n0.667470 0.108958 0.361928 O\n0.000575 0.102558 0.647494 O\n0.351919 0.897453 0.647492 O\n0.511359 0.397849 0.643032 O\n0.845593 0.602146 0.643044 O\n",
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{
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"structure_string": "Pb12 I24\n1.0\n2.330731 -4.036945 0.000000\n2.330731 4.036945 0.000000\n0.000000 0.000000 86.883545\nPb I\n12 24\ndirect\n0.666667 0.333333 0.979165 Pb\n0.666667 0.333333 0.895846 Pb\n0.666667 0.333333 0.812521 Pb\n0.666667 0.333333 0.729155 Pb\n0.666667 0.333333 0.645823 Pb\n0.666667 0.333333 0.562536 Pb\n0.333333 0.666667 0.479175 Pb\n0.333333 0.666667 0.395825 Pb\n0.666667 0.333333 0.312495 Pb\n0.666667 0.333333 0.229148 Pb\n0.333333 0.666667 0.145846 Pb\n0.333333 0.666667 0.062516 Pb\n0.333333 0.666667 0.000866 I\n0.000000 0.000000 0.957460 I\n0.333333 0.666667 0.917552 I\n0.000000 0.000000 0.874113 I\n0.333333 0.666667 0.834196 I\n0.000000 0.000000 0.790777 I\n0.333333 0.666667 0.750895 I\n0.000000 0.000000 0.707444 I\n0.333333 0.666667 0.667517 I\n0.000000 0.000000 0.624162 I\n0.333333 0.666667 0.584211 I\n0.000000 0.000000 0.540789 I\n0.666667 0.333333 0.500851 I\n0.000000 0.000000 0.457471 I\n0.666667 0.333333 0.417538 I\n0.000000 0.000000 0.374136 I\n0.333333 0.666667 0.334194 I\n0.000000 0.000000 0.290796 I\n0.333333 0.666667 0.250884 I\n0.000000 0.000000 0.207453 I\n0.666667 0.333333 0.167512 I\n0.000000 0.000000 0.124135 I\n0.666667 0.333333 0.084170 I\n0.000000 0.000000 0.040825 I\n",
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{
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{
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{
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{
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{
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"structure_string": "Fe1 Cu6 Sn2 S8\n1.0\n7.773067 0.000000 0.000000\n0.000000 7.773067 0.000000\n0.000000 0.000000 5.452410\nFe Cu Sn S\n1 6 2 8\ndirect\n0.500000 0.500000 0.000000 Fe\n0.759207 0.240793 0.500000 Cu\n0.240793 0.240793 0.500000 Cu\n0.240793 0.759207 0.500000 Cu\n0.759207 0.759207 0.500000 Cu\n0.000000 0.500000 0.972681 Cu\n0.500000 0.000000 0.027319 Cu\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.260339 0.737509 S\n0.260339 0.000000 0.262491 S\n0.000000 0.739661 0.737509 S\n0.739661 0.000000 0.262491 S\n0.500000 0.235454 0.770711 S\n0.235454 0.500000 0.229289 S\n0.500000 0.764546 0.770711 S\n0.764546 0.500000 0.229289 S\n",
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],
"chemical_system": "Cu-Fe-S-Sn",
"density": 4.693036208891002,
"density_atomic": 0.05160307639083237,
"volume": 329.4377232714785,
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"formula_full": "Fe1 Cu6 Sn2 S8",
"formula_reduced": "FeCu6(SnS4)2",
"formula_anonymous": "AB2C6D8",
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"updated_at": "2021-11-28T01:34:53.344000Z",
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}
]
}