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{
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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": "Sb4 P16 O48\n1.0\n13.533463 0.000000 0.000000\n0.000000 7.280389 0.000000\n0.000000 6.912284 9.687727\nSb P O\n4 16 48\ndirect\n0.787338 0.453254 0.075877 Sb\n0.287338 0.546746 0.424123 Sb\n0.712662 0.453254 0.575877 Sb\n0.212662 0.546746 0.924123 Sb\n0.588786 0.490108 0.198323 P\n0.374689 0.424216 0.197212 P\n0.911823 0.066845 0.218372 P\n0.123099 0.163434 0.238802 P\n0.623099 0.836566 0.261198 P\n0.874689 0.575784 0.302788 P\n0.088786 0.509892 0.301677 P\n0.411823 0.933155 0.281628 P\n0.588177 0.066845 0.718372 P\n0.911214 0.490108 0.698323 P\n0.125311 0.424216 0.697212 P\n0.376901 0.163434 0.738802 P\n0.876901 0.836566 0.761198 P\n0.088177 0.933155 0.781628 P\n0.625311 0.575784 0.802788 P\n0.411214 0.509892 0.801677 P\n0.658202 0.629199 0.070794 O\n0.904337 0.251585 0.062031 O\n0.294927 0.546436 0.089698 O\n0.149069 0.265745 0.086456 O\n0.478846 0.539665 0.128130 O\n0.861264 0.595234 0.169661 O\n0.696329 0.979368 0.154193 O\n0.111607 0.749730 0.201841 O\n0.384993 0.176008 0.238188 O\n0.346844 0.864208 0.207973 O\n0.081097 0.373938 0.234314 O\n0.522812 0.977635 0.229598 O\n0.581097 0.626062 0.265686 O\n0.022812 0.022365 0.270402 O\n0.611607 0.250270 0.298159 O\n0.846844 0.135792 0.292027 O\n0.884993 0.823992 0.261812 O\n0.361264 0.404766 0.330339 O\n0.978846 0.460335 0.371870 O\n0.196329 0.020632 0.345807 O\n0.794927 0.453564 0.410302 O\n0.158202 0.370801 0.429206 O\n0.649069 0.734255 0.413544 O\n0.404337 0.748415 0.437969 O\n0.595663 0.251585 0.562031 O\n0.350931 0.265745 0.586456 O\n0.841798 0.629199 0.570794 O\n0.205073 0.546436 0.589698 O\n0.803671 0.979368 0.654193 O\n0.021154 0.539665 0.628130 O\n0.638736 0.595234 0.669661 O\n0.115007 0.176008 0.738188 O\n0.153156 0.864208 0.707973 O\n0.388393 0.749730 0.701841 O\n0.977188 0.977635 0.729598 O\n0.418903 0.373938 0.734314 O\n0.477188 0.022365 0.770402 O\n0.918903 0.626062 0.765686 O\n0.653156 0.135792 0.792027 O\n0.615007 0.823992 0.761812 O\n0.888393 0.250270 0.798159 O\n0.303671 0.020632 0.845807 O\n0.138736 0.404766 0.830339 O\n0.521154 0.460335 0.871870 O\n0.850931 0.734255 0.913544 O\n0.705073 0.453564 0.910302 O\n0.095663 0.748415 0.937969 O\n0.341798 0.370801 0.929206 O\n",
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},
{
"id": "mp-13202",
"created_at": "2022-09-04T14:44:51.019714Z",
"structure_string": "Y2 Cu2 Sn2\n1.0\n2.272879 -3.936742 0.000000\n2.272879 3.936742 0.000000\n0.000000 0.000000 7.295275\nY Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.000068 Y\n0.000000 0.000000 0.500068 Y\n0.666667 0.333333 0.319302 Cu\n0.333333 0.666667 0.819302 Cu\n0.333333 0.666667 0.230231 Sn\n0.666667 0.333333 0.730231 Sn\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Cu-Sn-Y",
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"formula_full": "Y2 Cu2 Sn2",
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},
{
"id": "mp-1245743",
"created_at": "2022-09-04T14:44:51.059313Z",
"structure_string": "Na16 Sb16 N32\n1.0\n5.683282 0.000000 0.000000\n0.000000 11.462595 0.000000\n0.000000 0.000000 15.768664\nNa Sb N\n16 16 32\ndirect\n0.274861 0.000149 0.443101 Na\n0.774861 0.499851 0.556899 Na\n0.725139 0.500149 0.056899 Na\n0.225139 0.999851 0.943101 Na\n0.725139 0.999851 0.556899 Na\n0.225139 0.500149 0.443101 Na\n0.274861 0.499851 0.943101 Na\n0.774861 0.000149 0.056899 Na\n0.271031 0.279145 0.312633 Na\n0.771031 0.220855 0.687367 Na\n0.728969 0.779145 0.187367 Na\n0.228969 0.720855 0.812633 Na\n0.728969 0.720855 0.687367 Na\n0.228969 0.779145 0.312633 Na\n0.271031 0.220855 0.812633 Na\n0.771031 0.279145 0.187367 Na\n0.784394 0.016805 0.311215 Sb\n0.284394 0.483195 0.688785 Sb\n0.215606 0.516805 0.188785 Sb\n0.715606 0.983195 0.811215 Sb\n0.215606 0.983195 0.688785 Sb\n0.715606 0.516805 0.311215 Sb\n0.784394 0.483195 0.811215 Sb\n0.284394 0.016805 0.188785 Sb\n0.760986 0.267992 0.434874 Sb\n0.260986 0.232008 0.565126 Sb\n0.239014 0.767992 0.065126 Sb\n0.739014 0.732008 0.934874 Sb\n0.239014 0.732008 0.565126 Sb\n0.739014 0.767992 0.434874 Sb\n0.760986 0.232008 0.934874 Sb\n0.260986 0.267992 0.065126 Sb\n0.018634 0.333826 0.509073 N\n0.518634 0.166174 0.490927 N\n0.981366 0.833826 0.990927 N\n0.481366 0.666174 0.009073 N\n0.981366 0.666174 0.490927 N\n0.481366 0.833826 0.509073 N\n0.018634 0.166174 0.009073 N\n0.518634 0.333826 0.990927 N\n0.586807 0.413607 0.403463 N\n0.086807 0.086393 0.596537 N\n0.413193 0.913607 0.096537 N\n0.913193 0.586393 0.903463 N\n0.413193 0.586393 0.596537 N\n0.913193 0.913607 0.403463 N\n0.586807 0.086393 0.903463 N\n0.086807 0.413607 0.096537 N\n0.884665 0.183562 0.331717 N\n0.384665 0.316438 0.668283 N\n0.115335 0.683562 0.168283 N\n0.615335 0.816438 0.831717 N\n0.115335 0.816438 0.668283 N\n0.615335 0.683562 0.331717 N\n0.884665 0.316438 0.831717 N\n0.384665 0.183562 0.168283 N\n0.558425 0.475538 0.200600 N\n0.058425 0.024462 0.799400 N\n0.441575 0.975538 0.299400 N\n0.941575 0.524462 0.700600 N\n0.441575 0.524462 0.799400 N\n0.941575 0.975538 0.200600 N\n0.558425 0.024462 0.700600 N\n0.058425 0.475538 0.299400 N\n",
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"density": 4.468308904689579,
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"volume": 1027.2521366926362,
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"formula_full": "Na16 Sb16 N32",
"formula_reduced": "NaSbN2",
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"spacegroup": 61
},
{
"id": "mp-1223536",
"created_at": "2022-09-04T14:44:47.031043Z",
"structure_string": "K1 Ba3 Ga5 Se10 Cl2\n1.0\n-8.781109 0.000000 0.000000\n-0.003157 -8.786874 0.000000\n4.353070 4.368543 7.933586\nK Ba Ga Se Cl\n1 3 5 10 2\ndirect\n0.484564 0.352837 0.228239 K\n0.743860 0.876704 0.229003 Ba\n0.125296 0.516471 0.771435 Ba\n0.646916 0.254265 0.770808 Ba\n0.071138 0.471600 0.331892 Ga\n0.261498 0.857679 0.329808 Ga\n0.141055 0.929530 0.669181 Ga\n0.525674 0.735735 0.666425 Ga\n0.002232 0.001457 0.001334 Ga\n0.348165 0.444147 0.518291 Se\n0.167002 0.071693 0.516329 Se\n0.928967 0.652027 0.484148 Se\n0.555276 0.836734 0.485534 Se\n0.067001 0.572398 0.141835 Se\n0.430125 0.929374 0.857490 Se\n0.860991 0.192726 0.145958 Se\n0.286121 0.950643 0.145127 Se\n0.043244 0.138144 0.850604 Se\n0.806378 0.714577 0.853937 Se\n0.500503 0.501658 0.998496 Cl\n0.753993 0.249600 0.504124 Cl\n",
"nsites": 21,
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"elements": [
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"Se",
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],
"chemical_system": "Ba-Cl-Ga-K-Se",
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}
]
}