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{
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"results": [
{
"id": "mp-16487",
"created_at": "2022-09-04T14:48:20.754775Z",
"structure_string": "Ce1 Mn4 Al8\n1.0\n4.778994 0.000000 1.965216\n2.389497 6.255111 0.982608\n0.010561 0.000000 6.767682\nCe Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.340197 0.659803 0.659803 Al\n0.000000 0.340197 0.659803 Al\n0.000000 0.659803 0.340197 Al\n0.659803 0.340197 0.340197 Al\n0.274294 0.225706 0.225706 Al\n0.500000 0.774294 0.225706 Al\n0.500000 0.225706 0.774294 Al\n0.725706 0.774294 0.774294 Al\n",
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{
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"nsites": 32,
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"density_atomic": 0.07448588350004641,
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"formula_full": "Al6 Co2 W18 C6",
"formula_reduced": "Al3Co(W3C)3",
"formula_anonymous": "AB3C3D9",
"energy": -328.75468299,
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{
"id": "mp-1228861",
"created_at": "2022-09-04T14:48:20.764074Z",
"structure_string": "Al1 Ni6 Pd1\n1.0\n3.593561 0.000000 0.000000\n0.000000 3.593561 0.000000\n0.000000 0.000000 7.232809\nAl Ni Pd\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.239854 Ni\n0.500000 0.000000 0.760146 Ni\n0.000000 0.500000 0.239854 Ni\n0.000000 0.500000 0.760146 Ni\n0.000000 0.000000 0.500000 Pd\n",
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"density": 8.632502143337234,
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"volume": 93.40218570598879,
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"formula_full": "Al1 Ni6 Pd1",
"formula_reduced": "AlNi6Pd",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:39:00.037000Z",
"spacegroup": 123
},
{
"id": "mp-1340542",
"created_at": "2022-09-04T14:48:20.793000Z",
"structure_string": "Ca2 W10 O14\n1.0\n1.635939 -5.395356 0.000000\n1.635939 5.395356 0.000000\n0.000000 0.000000 18.669792\nCa W O\n2 10 14\ndirect\n0.183268 0.816732 0.750000 Ca\n0.816732 0.183268 0.250000 Ca\n0.685165 0.314835 0.573233 W\n0.558813 0.441187 0.147293 W\n0.000000 0.000000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.441187 0.558813 0.852707 W\n0.314835 0.685165 0.426767 W\n0.314835 0.685165 0.073233 W\n0.685165 0.314835 0.926767 W\n0.441187 0.558813 0.647293 W\n0.558813 0.441187 0.352707 W\n0.301700 0.698300 0.952933 O\n0.698300 0.301700 0.047067 O\n0.698300 0.301700 0.452933 O\n0.301700 0.698300 0.547067 O\n0.810942 0.189058 0.831427 O\n0.189058 0.810942 0.168573 O\n0.189058 0.810942 0.331427 O\n0.810942 0.189058 0.668573 O\n0.093171 0.906829 0.863848 O\n0.906829 0.093171 0.136152 O\n0.906829 0.093171 0.363848 O\n0.093171 0.906829 0.636152 O\n0.526484 0.473516 0.750000 O\n0.473516 0.526484 0.250000 O\n",
"nsites": 26,
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"elements": [
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"density": 10.795006041948687,
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"formula_full": "Ca2 W10 O14",
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"updated_at": "2021-11-28T01:38:54.143000Z",
"spacegroup": 63
},
{
"id": "mp-1221009",
"created_at": "2022-09-04T14:48:20.808679Z",
"structure_string": "Na1 Pr3 Mn4 O12\n1.0\n7.733063 0.000000 0.000000\n0.000000 5.507636 0.000000\n0.000000 0.036634 5.517107\nNa Pr Mn O\n1 3 4 12\ndirect\n0.000000 0.495196 0.478783 Na\n0.000000 0.009243 0.963576 Pr\n0.500000 0.507979 0.535365 Pr\n0.500000 0.997583 0.031058 Pr\n0.244824 0.001555 0.497908 Mn\n0.755692 0.500067 0.003881 Mn\n0.755176 0.001555 0.497908 Mn\n0.244308 0.500067 0.003881 Mn\n0.223222 0.206410 0.207412 O\n0.783095 0.274687 0.723815 O\n0.710185 0.779148 0.779436 O\n0.298054 0.727703 0.274912 O\n0.289815 0.779148 0.779436 O\n0.701946 0.727703 0.274912 O\n0.776778 0.206410 0.207412 O\n0.216905 0.274687 0.723815 O\n0.000000 0.574396 0.019201 O\n0.000000 0.928457 0.515655 O\n0.500000 0.435473 0.987840 O\n0.500000 0.072533 0.493794 O\n",
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"elements": [
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],
"chemical_system": "Mn-Na-O-Pr",
"density": 6.059455726380124,
"density_atomic": 0.08511415864946043,
"volume": 234.97853139063824,
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"formula_full": "Na1 Pr3 Mn4 O12",
"formula_reduced": "NaPr3Mn4O12",
"formula_anonymous": "AB3C4D12",
"energy": -165.05653403,
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{
"id": "mp-766133",
"created_at": "2022-09-04T14:48:20.792766Z",
"structure_string": "Li6 Sc1 Fe5 Si12 O36\n1.0\n6.618931 0.000000 0.000000\n2.125853 9.306093 0.000000\n2.092910 1.999750 10.645417\nLi Sc Fe Si O\n6 1 5 12 36\ndirect\n0.250312 0.083667 0.333147 Li\n0.252190 0.413340 0.664928 Li\n0.748605 0.251184 0.000059 Li\n0.250057 0.751027 0.002547 Li\n0.749212 0.583510 0.332796 Li\n0.744695 0.920537 0.664688 Li\n0.102195 0.681359 0.784389 Sc\n0.102306 0.014785 0.117940 Fe\n0.103333 0.348914 0.450380 Fe\n0.896888 0.318412 0.216334 Fe\n0.896321 0.651940 0.546970 Fe\n0.895312 0.987025 0.883200 Fe\n0.206688 0.002751 0.615179 Si\n0.386581 0.046588 0.842310 Si\n0.208204 0.330231 0.950361 Si\n0.385566 0.382087 0.175006 Si\n0.615003 0.284306 0.491697 Si\n0.206988 0.668247 0.281048 Si\n0.792501 0.332820 0.717826 Si\n0.385809 0.715276 0.505573 Si\n0.617087 0.618299 0.825238 Si\n0.793220 0.666426 0.053665 Si\n0.612847 0.951450 0.158934 Si\n0.793278 0.998814 0.384357 Si\n0.117658 0.140841 0.512750 O\n0.355565 0.049779 0.697123 O\n0.031253 0.248516 0.051308 O\n0.373472 0.034613 0.148963 O\n0.356940 0.214315 0.865433 O\n0.201532 0.304478 0.273065 O\n0.113525 0.467365 0.849709 O\n0.648686 0.114840 0.471194 O\n0.032239 0.584120 0.381929 O\n0.375609 0.366986 0.481167 O\n0.796394 0.029631 0.060812 O\n0.645214 0.283601 0.636375 O\n0.354741 0.381579 0.030833 O\n0.204404 0.634177 0.601522 O\n0.884581 0.194943 0.819699 O\n0.625224 0.299614 0.185414 O\n0.968900 0.082321 0.284002 O\n0.646358 0.450155 0.802603 O\n0.352382 0.551787 0.194829 O\n0.026910 0.924176 0.715478 O\n0.378587 0.702085 0.818315 O\n0.112425 0.806978 0.180915 O\n0.798869 0.362215 0.393809 O\n0.654653 0.614472 0.968948 O\n0.354660 0.719095 0.360703 O\n0.200907 0.970479 0.940024 O\n0.626022 0.633156 0.514498 O\n0.968637 0.415488 0.616558 O\n0.350457 0.882788 0.531659 O\n0.885308 0.527044 0.154344 O\n0.794957 0.696983 0.723533 O\n0.642931 0.782289 0.138516 O\n0.625924 0.963244 0.851943 O\n0.967663 0.752100 0.955593 O\n0.644234 0.950965 0.303363 O\n0.886980 0.859786 0.484487 O\n",
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"formula_full": "Li6 Sc1 Fe5 Si12 O36",
"formula_reduced": "Li6ScFe5(SiO3)12",
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},
{
"id": "mp-1041643",
"created_at": "2022-09-04T14:48:07.575431Z",
"structure_string": "Al1 Sb1 W2 O8\n1.0\n4.473179 0.277273 -2.390984\n-0.730983 4.777855 -2.385621\n-0.167582 -0.149772 6.838279\nAl Sb W O\n1 1 2 8\ndirect\n0.628976 0.770438 0.055924 Al\n0.149468 0.301230 0.152049 Sb\n0.896430 0.400126 0.631571 W\n0.404803 0.988012 0.574934 W\n0.216848 0.673740 0.895880 O\n0.559769 0.597651 0.438732 O\n0.141441 0.118414 0.733633 O\n0.572554 0.049581 0.344091 O\n0.652536 0.928924 0.881579 O\n0.012027 0.713272 0.268624 O\n0.100635 0.255722 0.417136 O\n0.660512 0.381391 0.801944 O\n",
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"formula_full": "Al1 Sb1 W2 O8",
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}
]
}