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{
"id": "mp-1189329",
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"structure_string": "Y12 Co4\n1.0\n9.496347 0.000000 0.000000\n0.000000 6.338302 0.000000\n0.000000 0.000711 7.012687\nY Co\n12 4\ndirect\n0.489344 0.366808 0.042892 Y\n0.487868 0.141588 0.546194 Y\n0.989344 0.633192 0.957108 Y\n0.987868 0.858412 0.453806 Y\n0.303912 0.823581 0.175045 Y\n0.668569 0.685493 0.677153 Y\n0.803912 0.176419 0.824955 Y\n0.168569 0.314507 0.322847 Y\n0.305359 0.673208 0.671029 Y\n0.668549 0.832787 0.174092 Y\n0.805359 0.326792 0.328971 Y\n0.168549 0.167213 0.825908 Y\n0.500013 0.543510 0.388399 Co\n0.487543 0.957912 0.889862 Co\n0.000013 0.456490 0.611601 Co\n0.987543 0.042088 0.110138 Co\n",
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{
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"formula_full": "Eu2 Sn1 Hg1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:58.729000Z",
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{
"id": "mp-1208286",
"created_at": "2022-09-04T14:40:54.665945Z",
"structure_string": "Th4 Br8\n1.0\n-3.792978 3.792978 7.367803\n3.792978 -3.792978 7.367803\n3.792978 3.792978 -7.367803\nTh Br\n4 8\ndirect\n0.375000 0.125000 0.250000 Th\n0.875000 0.125000 0.750000 Th\n0.875000 0.125000 0.250000 Th\n0.875000 0.625000 0.750000 Th\n0.447135 0.498672 0.374865 Br\n0.123808 0.072270 0.625135 Br\n0.248672 0.373808 0.551538 Br\n0.302865 0.751328 0.125135 Br\n0.822270 0.697135 0.448462 Br\n0.626192 0.177730 0.874865 Br\n0.501328 0.876192 0.948462 Br\n0.927730 0.552865 0.051538 Br\n",
"nsites": 12,
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"elements": [
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"volume": 423.99295839573904,
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"formula_full": "Th4 Br8",
"formula_reduced": "ThBr2",
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"energy": -60.83695118,
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"updated_at": "2021-11-28T01:35:01.706000Z",
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},
{
"id": "mp-1101773",
"created_at": "2022-09-04T14:40:54.667639Z",
"structure_string": "Nd4 Al4 Au4\n1.0\n4.621998 0.000000 0.000000\n0.000000 7.558410 0.000000\n0.000000 0.000000 7.750194\nNd Al Au\n4 4 4\ndirect\n0.250000 0.008594 0.306865 Nd\n0.250000 0.508594 0.193135 Nd\n0.750000 0.991406 0.693135 Nd\n0.750000 0.491406 0.806865 Nd\n0.250000 0.169692 0.919114 Al\n0.250000 0.669692 0.580886 Al\n0.750000 0.830308 0.080886 Al\n0.750000 0.330308 0.419114 Al\n0.250000 0.297810 0.592160 Au\n0.250000 0.797810 0.907840 Au\n0.750000 0.702190 0.407840 Au\n0.750000 0.202190 0.092160 Au\n",
"nsites": 12,
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"elements": [
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"density": 9.032509593474582,
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"volume": 270.7526856310902,
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"formula_full": "Nd4 Al4 Au4",
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"updated_at": "2021-11-28T01:35:01.205000Z",
"spacegroup": 62
},
{
"id": "mp-1226585",
"created_at": "2022-09-04T14:40:54.670511Z",
"structure_string": "Ce1 Pr4 O10\n1.0\n-1.975049 1.975049 14.632859\n1.975049 -1.975049 14.632859\n1.975049 1.975049 -14.632859\nCe Pr O\n1 4 10\ndirect\n0.000000 0.000000 0.000000 Ce\n0.405456 0.405456 0.000000 Pr\n0.801207 0.801207 0.000000 Pr\n0.198793 0.198793 0.000000 Pr\n0.594544 0.594544 0.000000 Pr\n0.147390 0.647390 0.500000 O\n0.545636 0.045636 0.500000 O\n0.954364 0.454364 0.500000 O\n0.352610 0.852610 0.500000 O\n0.750000 0.250000 0.500000 O\n0.045636 0.545636 0.500000 O\n0.454364 0.954364 0.500000 O\n0.852610 0.352610 0.500000 O\n0.250000 0.750000 0.500000 O\n0.647390 0.147390 0.500000 O\n",
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"elements": [
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"Pr",
"O"
],
"chemical_system": "Ce-O-Pr",
"density": 6.281849145377803,
"density_atomic": 0.06569711982907393,
"volume": 228.3205114474718,
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"formula_full": "Ce1 Pr4 O10",
"formula_reduced": "CePr4O10",
"formula_anonymous": "AB4C10",
"energy": -122.51265945000002,
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"updated_at": "2021-11-28T01:35:23.086000Z",
"spacegroup": 139
},
{
"id": "mp-1209122",
"created_at": "2022-09-04T14:40:54.671021Z",
"structure_string": "Rb1 Tm1 W2 O8\n1.0\n3.044779 -5.273711 0.000000\n3.044779 5.273711 0.000000\n0.000000 0.000000 8.062671\nRb Tm W O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Tm\n0.333333 0.666667 0.266347 W\n0.666667 0.333333 0.733653 W\n0.168428 0.831572 0.336504 O\n0.831572 0.168428 0.663496 O\n0.168428 0.336856 0.336504 O\n0.831572 0.663144 0.663496 O\n0.663144 0.831572 0.336504 O\n0.336856 0.168428 0.663496 O\n0.333333 0.666667 0.046566 O\n0.666667 0.333333 0.953434 O\n",
"nsites": 12,
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"elements": [
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"Tm",
"W",
"O"
],
"chemical_system": "O-Rb-Tm-W",
"density": 4.810320696980286,
"density_atomic": 0.04634471432289077,
"volume": 258.9292042323133,
"volume_molar": 12.994234289681488,
"formula_full": "Rb1 Tm1 W2 O8",
"formula_reduced": "RbTm(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -102.6708344,
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"updated_at": "2021-11-28T01:35:01.159000Z",
"spacegroup": 164
},
{
"id": "mp-1184405",
"created_at": "2022-09-04T14:40:54.676397Z",
"structure_string": "Eu3 Th1\n1.0\n-2.677396 2.677396 5.394594\n2.677396 -2.677396 5.394594\n2.677396 2.677396 -5.394594\nEu Th\n3 1\ndirect\n0.750000 0.250000 0.500000 Eu\n0.250000 0.750000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.000000 0.000000 0.000000 Th\n",
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"density": 7.3849814302740695,
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"volume": 154.68349521307977,
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"formula_full": "Eu3 Th1",
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"updated_at": "2021-11-28T01:34:58.555000Z",
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{
"id": "mp-1047912",
"created_at": "2022-09-04T14:40:54.677238Z",
"structure_string": "Ba4 Mg4 Ni4 F28\n1.0\n9.918525 0.000000 0.000000\n0.000000 5.617929 0.000000\n0.000000 0.529801 9.601782\nBa Mg Ni F\n4 4 4 28\ndirect\n0.319035 0.736284 0.500807 Ba\n0.819035 0.263716 0.999193 Ba\n0.680965 0.263716 0.499193 Ba\n0.180965 0.736284 0.000807 Ba\n0.396718 0.301699 0.811086 Mg\n0.896718 0.698301 0.688914 Mg\n0.103282 0.301699 0.311086 Mg\n0.603282 0.698301 0.188914 Mg\n0.613131 0.805584 0.811385 Ni\n0.386869 0.194416 0.188615 Ni\n0.886869 0.805584 0.311385 Ni\n0.113131 0.194416 0.688615 Ni\n0.446802 0.891173 0.126742 F\n0.047137 0.628402 0.366803 F\n0.711399 0.530814 0.749873 F\n0.288601 0.469186 0.250127 F\n0.455498 0.117071 0.363956 F\n0.813008 0.743950 0.495087 F\n0.779379 0.975670 0.751174 F\n0.955498 0.882929 0.136044 F\n0.452863 0.628402 0.866803 F\n0.211399 0.469186 0.750127 F\n0.053198 0.891173 0.626742 F\n0.553198 0.108827 0.873258 F\n0.279379 0.024330 0.748826 F\n0.957072 0.621078 0.876182 F\n0.544502 0.882929 0.636044 F\n0.044502 0.117071 0.863956 F\n0.220621 0.024330 0.248826 F\n0.946802 0.108827 0.373258 F\n0.457072 0.378922 0.623818 F\n0.952863 0.371598 0.633197 F\n0.042928 0.378922 0.123818 F\n0.720621 0.975670 0.251174 F\n0.542928 0.621078 0.376182 F\n0.313008 0.256050 0.004913 F\n0.186992 0.256050 0.504913 F\n0.686992 0.743950 0.995087 F\n0.547137 0.371598 0.133197 F\n0.788601 0.530814 0.249873 F\n",
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{
"id": "mp-1245019",
"created_at": "2022-09-04T14:40:54.679383Z",
"structure_string": "Fe32 O48\n1.0\n9.226614 0.156755 -0.721292\n0.204067 10.273743 0.336067\n-0.716509 0.302489 10.854950\nFe O\n32 48\ndirect\n0.495922 0.030207 0.876626 Fe\n0.179935 0.129283 0.996243 Fe\n0.538764 0.743641 0.865366 Fe\n0.075567 0.599882 0.565483 Fe\n0.035782 0.882113 0.064493 Fe\n0.829893 0.193956 0.940101 Fe\n0.281447 0.071612 0.568921 Fe\n0.697351 0.550683 0.657271 Fe\n0.975139 0.065263 0.766352 Fe\n0.716268 0.763147 0.446215 Fe\n0.724284 0.032334 0.384822 Fe\n0.677799 0.971075 0.673196 Fe\n0.309759 0.627855 0.058340 Fe\n0.182043 0.947394 0.326564 Fe\n0.005694 0.362080 0.187192 Fe\n0.018706 0.385197 0.756155 Fe\n0.923042 0.677416 0.234679 Fe\n0.854700 0.543420 0.971392 Fe\n0.331566 0.323882 0.201028 Fe\n0.346394 0.271779 0.751130 Fe\n0.431514 0.919907 0.192592 Fe\n0.839376 0.473796 0.434997 Fe\n0.365807 0.549581 0.730288 Fe\n0.596216 0.394373 0.950605 Fe\n0.572713 0.178071 0.124601 Fe\n0.754021 0.943566 0.136040 Fe\n0.031542 0.893090 0.585373 Fe\n0.408385 0.758349 0.514252 Fe\n0.191936 0.800854 0.846553 Fe\n0.109621 0.292742 0.445061 Fe\n0.630000 0.243302 0.631165 Fe\n0.524575 0.625063 0.270068 Fe\n0.329790 0.156565 0.893967 O\n0.284788 0.605723 0.563864 O\n0.981081 0.544102 0.126695 O\n0.545132 0.641484 0.446100 O\n0.438048 0.155822 0.241061 O\n0.239960 0.889314 0.527199 O\n0.824414 0.358045 0.026493 O\n0.913280 0.335568 0.339850 O\n0.866518 0.500751 0.798164 O\n0.590865 0.864851 0.544965 O\n0.650848 0.580693 0.947883 O\n0.895981 0.040432 0.041917 O\n0.369409 0.518846 0.205586 O\n0.161369 0.111976 0.401841 O\n0.488218 0.355225 0.080061 O\n0.153292 0.280953 0.090830 O\n0.019933 0.225949 0.862510 O\n0.132393 0.726733 0.001932 O\n0.219306 0.423985 0.779053 O\n0.881375 0.917983 0.697432 O\n0.753269 0.112065 0.229137 O\n0.478516 0.108189 0.692159 O\n0.673614 0.116857 0.521997 O\n0.353921 0.634296 0.886947 O\n0.833199 0.630866 0.560788 O\n0.876356 0.895603 0.447672 O\n0.008906 0.596520 0.394761 O\n0.695505 0.400365 0.557986 O\n0.360967 0.842468 0.337530 O\n0.775471 0.153474 0.758106 O\n0.103302 0.061770 0.645635 O\n0.010740 0.408615 0.575984 O\n0.738097 0.605116 0.296458 O\n0.644111 0.883357 0.287291 O\n0.098477 0.734462 0.692051 O\n0.622006 0.198300 0.943846 O\n0.455196 0.744788 0.124129 O\n0.277365 0.264051 0.577418 O\n0.512380 0.392103 0.763013 O\n0.188514 0.369323 0.308751 O\n0.646753 0.899549 0.839009 O\n0.036515 0.839926 0.247710 O\n0.374661 0.879899 0.841115 O\n0.220935 0.989208 0.137377 O\n0.835385 0.785403 0.081129 O\n0.546489 0.994525 0.063559 O\n0.099650 0.966255 0.903182 O\n0.535375 0.661691 0.702153 O\n",
"nsites": 80,
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"formula_full": "Fe32 O48",
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{
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{
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{
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}