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{
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"results": [
{
"id": "mp-695506",
"created_at": "2022-09-04T14:46:09.511803Z",
"structure_string": "Na3 Ca7 Ti7 Nb3 O30\n1.0\n3.934222 0.000000 0.000000\n0.000000 7.867965 0.000000\n0.000000 0.007671 19.630777\nNa Ca Ti Nb O\n3 7 7 3 30\ndirect\n0.000000 0.996985 0.007399 Na\n0.000000 0.990981 0.796084 Na\n0.000000 0.508587 0.796953 Na\n0.000000 0.996533 0.198027 Ca\n0.000000 0.506562 0.014229 Ca\n0.000000 0.997897 0.397944 Ca\n0.000000 0.502126 0.397979 Ca\n0.000000 0.984450 0.596103 Ca\n0.000000 0.503284 0.197698 Ca\n0.000000 0.515556 0.596087 Ca\n0.500000 0.753306 0.100948 Ti\n0.500000 0.749702 0.299383 Ti\n0.500000 0.248278 0.103902 Ti\n0.500000 0.750028 0.498099 Ti\n0.500000 0.250318 0.300460 Ti\n0.500000 0.749836 0.697263 Ti\n0.500000 0.250001 0.497808 Ti\n0.500000 0.749442 0.898042 Nb\n0.500000 0.250254 0.698911 Nb\n0.500000 0.250035 0.903290 Nb\n0.000000 0.741146 0.104102 O\n0.000000 0.258513 0.103730 O\n0.000000 0.750307 0.301349 O\n0.000000 0.249681 0.300863 O\n0.000000 0.750004 0.500618 O\n0.000000 0.249990 0.498794 O\n0.000000 0.742073 0.903488 O\n0.000000 0.249834 0.693650 O\n0.000000 0.257109 0.902124 O\n0.500000 0.999627 0.106486 O\n0.500000 0.737064 0.002962 O\n0.500000 0.999770 0.300839 O\n0.500000 0.747645 0.201465 O\n0.500000 0.499879 0.102225 O\n0.500000 0.260878 0.003152 O\n0.500000 0.999224 0.499754 O\n0.500000 0.750096 0.400120 O\n0.500000 0.500201 0.301516 O\n0.500000 0.252308 0.201403 O\n0.500000 0.997692 0.693325 O\n0.500000 0.750026 0.597700 O\n0.500000 0.500778 0.499726 O\n0.500000 0.249881 0.399646 O\n0.500000 0.999217 0.901815 O\n0.500000 0.748690 0.798387 O\n0.500000 0.502337 0.692931 O\n0.500000 0.250015 0.597018 O\n0.500000 0.500270 0.902883 O\n0.500000 0.251404 0.799152 O\n0.000000 0.750175 0.692166 O\n",
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],
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"volume": 607.6573727026705,
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"formula_full": "Na3 Ca7 Ti7 Nb3 O30",
"formula_reduced": "Na3Ca7Ti7Nb3O30",
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"spacegroup": 6
},
{
"id": "mp-757437",
"created_at": "2022-09-04T14:46:09.499877Z",
"structure_string": "Li8 Co8 P8 O32\n1.0\n5.757103 0.000000 0.000000\n0.000000 7.649430 0.000000\n0.000000 0.000000 13.907512\nLi Co P O\n8 8 8 32\ndirect\n0.150673 0.196309 0.221669 Li\n0.650673 0.196309 0.278331 Li\n0.150673 0.303691 0.721669 Li\n0.650673 0.303691 0.778331 Li\n0.349327 0.696309 0.221669 Li\n0.849327 0.696309 0.278331 Li\n0.349327 0.803691 0.721669 Li\n0.849327 0.803691 0.778331 Li\n0.404963 0.183436 0.539912 Co\n0.904963 0.183436 0.960088 Co\n0.404963 0.316564 0.039912 Co\n0.904963 0.316564 0.460088 Co\n0.095037 0.683436 0.539912 Co\n0.595037 0.683436 0.960088 Co\n0.095037 0.816564 0.039912 Co\n0.595037 0.816564 0.460088 Co\n0.897887 0.046556 0.627398 P\n0.397887 0.046556 0.872602 P\n0.897887 0.453444 0.127398 P\n0.397887 0.453444 0.372602 P\n0.602113 0.546556 0.627398 P\n0.102113 0.546556 0.872602 P\n0.602113 0.953444 0.127398 P\n0.102113 0.953444 0.372602 P\n0.819796 0.978881 0.060966 O\n0.319796 0.978881 0.439034 O\n0.336240 0.113423 0.772968 O\n0.836240 0.113423 0.727032 O\n0.470545 0.129296 0.137628 O\n0.970545 0.129296 0.362372 O\n0.058984 0.188150 0.577361 O\n0.558984 0.188150 0.922639 O\n0.058984 0.311850 0.077361 O\n0.558984 0.311850 0.422639 O\n0.470545 0.370704 0.637628 O\n0.970545 0.370704 0.862372 O\n0.836240 0.386577 0.227032 O\n0.336240 0.386577 0.272968 O\n0.819796 0.521119 0.560966 O\n0.319796 0.521119 0.939034 O\n0.180204 0.478881 0.439034 O\n0.680204 0.478881 0.060966 O\n0.663760 0.613423 0.727032 O\n0.163760 0.613423 0.772968 O\n0.029455 0.629296 0.137628 O\n0.529455 0.629296 0.362372 O\n0.441016 0.688150 0.577361 O\n0.941016 0.688150 0.922639 O\n0.441016 0.811850 0.077361 O\n0.941016 0.811850 0.422639 O\n0.029455 0.870704 0.637628 O\n0.529455 0.870704 0.862372 O\n0.663760 0.886577 0.227032 O\n0.163760 0.886577 0.272968 O\n0.680204 0.021119 0.560966 O\n0.180204 0.021119 0.939034 O\n",
"nsites": 56,
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"elements": [
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],
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"formula_full": "Li8 Co8 P8 O32",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy": -404.64592965,
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"updated_at": "2021-11-28T01:37:20.140000Z",
"spacegroup": 61
},
{
"id": "mp-759106",
"created_at": "2022-09-04T14:46:09.618315Z",
"structure_string": "Li6 Fe9 Si6 O24\n1.0\n5.063157 0.000000 0.000000\n-0.149921 8.941423 0.000000\n-2.177853 -4.300720 12.554780\nLi Fe Si O\n6 9 6 24\ndirect\n0.455921 0.362354 0.777731 Li\n0.385621 0.623579 0.685891 Li\n0.257434 0.522210 0.468944 Li\n0.481083 0.096449 0.856434 Li\n0.732467 0.346914 0.358484 Li\n0.627387 0.229841 0.098842 Li\n0.012379 0.013822 0.994645 Fe\n0.274535 0.209895 0.493657 Fe\n0.200538 0.450313 0.186540 Fe\n0.287698 0.863651 0.345891 Fe\n0.929579 0.598709 0.832982 Fe\n0.594873 0.534019 0.035894 Fe\n0.691366 0.926503 0.189525 Fe\n0.923343 0.125534 0.690977 Fe\n0.849974 0.712323 0.540303 Fe\n0.026999 0.320301 0.933997 Si\n0.493459 0.801989 0.934755 Si\n0.197589 0.154096 0.250631 Si\n0.378503 0.925315 0.601913 Si\n0.825330 0.405339 0.593851 Si\n0.757262 0.637896 0.286296 Si\n0.043562 0.539851 0.588838 O\n0.006963 0.253635 0.597994 O\n0.174277 0.250357 0.829892 O\n0.071347 0.912352 0.625661 O\n0.378278 0.979069 0.958377 O\n0.071202 0.239999 0.357518 O\n0.313260 0.657218 0.837979 O\n0.379401 0.990986 0.499021 O\n0.399658 0.276605 0.222292 O\n0.476208 0.742983 0.572089 O\n0.558581 0.058059 0.707019 O\n0.382674 0.009374 0.264115 O\n0.279580 0.391055 0.034845 O\n0.429647 0.650406 0.279766 O\n0.787931 0.813541 0.899638 O\n0.579892 0.360935 0.489830 O\n0.678845 0.463988 0.700268 O\n0.822357 0.457694 0.918178 O\n0.830629 0.194595 0.960785 O\n0.531242 0.757562 0.047817 O\n0.892061 0.583151 0.386562 O\n0.808635 0.499942 0.174490 O\n0.881264 0.811588 0.288987 O\n0.936268 0.081905 0.150659 O\n",
"nsites": 45,
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"elements": [
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"O"
],
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"density": 3.2041987008398194,
"density_atomic": 0.07917268465619394,
"volume": 568.3778464177607,
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"formula_full": "Li6 Fe9 Si6 O24",
"formula_reduced": "Li2Fe3(SiO4)2",
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"energy": -346.59190005000005,
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"spacegroup": 1
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{
"id": "mp-1187364",
"created_at": "2022-09-04T14:46:09.628691Z",
"structure_string": "Tb1 Si1 O3\n1.0\n3.728302 0.000000 0.000000\n0.000000 3.728302 0.000000\n0.000000 0.000000 3.728302\nTb Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 7.530094610668917,
"density_atomic": 0.09647987959875731,
"volume": 51.82427694555707,
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"formula_full": "Tb1 Si1 O3",
"formula_reduced": "TbSiO3",
"formula_anonymous": "ABC3",
"energy": -38.98536346,
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"updated_at": "2021-11-28T01:37:18.356000Z",
"spacegroup": 221
},
{
"id": "mp-36252",
"created_at": "2022-09-04T14:46:09.628804Z",
"structure_string": "Nd5 Cu1 Se8\n1.0\n-4.399498 4.399498 4.537259\n4.399498 -4.399498 4.537259\n4.399498 4.399498 -4.537259\nNd Cu Se\n5 1 8\ndirect\n0.379273 0.760605 0.877396 Nd\n0.498123 0.620727 0.381332 Nd\n0.883209 0.501877 0.122604 Nd\n0.750000 0.250000 0.500000 Nd\n0.239395 0.116791 0.618668 Nd\n0.000000 0.000000 0.000000 Cu\n0.261998 0.890886 0.240049 Se\n0.761407 0.865485 0.258942 Se\n0.134515 0.393457 0.895923 Se\n0.978051 0.738002 0.628888 Se\n0.606543 0.502465 0.741058 Se\n0.497535 0.238593 0.104077 Se\n0.109114 0.349163 0.371112 Se\n0.650837 0.021949 0.759951 Se\n",
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"density": 6.69554976591437,
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"formula_full": "Nd5 Cu1 Se8",
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{
"id": "mp-1194025",
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"structure_string": "Ca2 B6 O20\n1.0\n0.393790 0.174522 6.440095\n5.634139 -0.526860 -1.016225\n-2.497459 9.326846 -1.745777\nCa B O\n2 6 20\ndirect\n0.825781 0.858787 0.622534 Ca\n0.174219 0.141213 0.377466 Ca\n0.810426 0.722020 0.277126 B\n0.189574 0.277980 0.722874 B\n0.323826 0.864614 0.634573 B\n0.676174 0.135386 0.365427 B\n0.480657 0.810397 0.139894 B\n0.519343 0.189603 0.860106 B\n0.016216 0.731758 0.246164 O\n0.983784 0.268242 0.753836 O\n0.171771 0.682484 0.668376 O\n0.828229 0.317516 0.331624 O\n0.320664 0.748020 0.018016 O\n0.679336 0.251980 0.981984 O\n0.640476 0.674121 0.149821 O\n0.359524 0.325879 0.850179 O\n0.419018 0.730831 0.502114 O\n0.580982 0.269169 0.497886 O\n0.478471 0.026428 0.257025 O\n0.521529 0.973572 0.742975 O\n0.769999 0.558438 0.369882 O\n0.230001 0.441562 0.630118 O\n0.921769 0.973913 0.950082 O\n0.078231 0.026087 0.049918 O\n0.802763 0.965595 0.397897 O\n0.197237 0.034405 0.602103 O\n0.285859 0.576077 0.380340 O\n0.714141 0.423923 0.619660 O\n",
"nsites": 28,
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"elements": [
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"formula_full": "Ca2 B6 O20",
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{
"id": "mp-1189496",
"created_at": "2022-09-04T14:46:09.734941Z",
"structure_string": "Rb12 Pd4\n1.0\n-5.834009 5.834009 6.094229\n5.834009 -5.834009 6.094229\n5.834009 5.834009 -6.094229\nRb Pd\n12 4\ndirect\n0.308589 0.308589 0.617178 Rb\n0.691411 0.691411 0.382822 Rb\n0.308589 0.691411 0.000000 Rb\n0.691411 0.308589 0.000000 Rb\n0.821823 0.080407 0.258585 Rb\n0.821823 0.563238 0.741415 Rb\n0.080407 0.821823 0.258585 Rb\n0.563238 0.821823 0.741415 Rb\n0.178177 0.919593 0.741415 Rb\n0.178177 0.436762 0.258585 Rb\n0.919593 0.178177 0.741415 Rb\n0.436762 0.178177 0.258585 Rb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Pd-Rb",
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"volume": 829.6844494959736,
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"formula_full": "Rb12 Pd4",
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"updated_at": "2021-11-28T01:37:13.701000Z",
"spacegroup": 139
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{
"id": "mp-605",
"created_at": "2022-09-04T14:46:09.823696Z",
"structure_string": "Zr2 Te10\n1.0\n2.026332 -7.930175 0.000000\n2.026332 7.930175 0.000000\n0.000000 0.000000 13.839632\nZr Te\n2 10\ndirect\n0.686487 0.313513 0.750000 Zr\n0.313513 0.686487 0.250000 Zr\n0.327524 0.672476 0.750000 Te\n0.672476 0.327524 0.250000 Te\n0.080442 0.919558 0.850299 Te\n0.919558 0.080442 0.149701 Te\n0.919558 0.080442 0.350299 Te\n0.080442 0.919558 0.649701 Te\n0.786176 0.213824 0.565919 Te\n0.213824 0.786176 0.434081 Te\n0.213824 0.786176 0.065919 Te\n0.786176 0.213824 0.934081 Te\n",
"nsites": 12,
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"volume": 444.7827258418251,
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"formula_full": "Zr2 Te10",
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{
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}