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{
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"results": [
{
"id": "mp-1285335",
"created_at": "2022-09-04T14:39:09.205977Z",
"structure_string": "V8 O16\n1.0\n0.000133 0.000320 3.015151\n8.781107 -0.000095 0.000384\n-0.000118 10.528159 0.001130\nV O\n8 16\ndirect\n0.249961 0.441944 0.617500 V\n0.749998 0.058059 0.117513 V\n0.249977 0.924248 0.398617 V\n0.749998 0.575747 0.898635 V\n0.750215 0.560366 0.387521 V\n0.251133 0.939622 0.887509 V\n0.749874 0.078690 0.605825 V\n0.249963 0.421314 0.105829 V\n0.249720 0.708983 0.359067 O\n0.749952 0.293363 0.634536 O\n0.749321 0.791016 0.859068 O\n0.250022 0.206641 0.134534 O\n0.249898 0.611415 0.019196 O\n0.749995 0.388630 0.979471 O\n0.749906 0.888591 0.519188 O\n0.249923 0.111371 0.479471 O\n0.750021 0.977851 0.282249 O\n0.249693 0.027290 0.716066 O\n0.250029 0.522146 0.782252 O\n0.749913 0.472710 0.216068 O\n0.250144 0.925559 0.071168 O\n0.750192 0.073214 0.928774 O\n0.749982 0.574441 0.571170 O\n0.250173 0.426786 0.428772 O\n",
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"updated_at": "2021-11-28T01:34:26.414000Z",
"spacegroup": 31
},
{
"id": "mp-1076196",
"created_at": "2022-09-04T14:39:07.513416Z",
"structure_string": "Ba4 Sr28 Ti24 Mn8 O80\n1.0\n-0.000817 0.007509 11.293801\n11.392560 -0.005161 -0.000865\n-5.703096 15.994837 -5.636883\nBa Sr Ti Mn O\n4 28 24 8 80\ndirect\n0.310403 0.060585 0.122093 Ba\n0.310698 0.562613 0.118889 Ba\n0.811089 0.063767 0.122496 Ba\n0.062501 0.806546 0.121626 Ba\n0.301920 0.057863 0.604967 Sr\n0.306517 0.561640 0.608690 Sr\n0.804544 0.061664 0.608336 Sr\n0.808774 0.559378 0.112757 Sr\n0.805102 0.561575 0.609753 Sr\n0.196668 0.442600 0.388623 Sr\n0.194675 0.439566 0.889464 Sr\n0.191423 0.932999 0.382553 Sr\n0.195901 0.938801 0.889737 Sr\n0.695911 0.441960 0.388004 Sr\n0.695205 0.437623 0.887333 Sr\n0.698823 0.934265 0.386163 Sr\n0.698748 0.937113 0.893817 Sr\n0.060085 0.305346 0.112205 Sr\n0.057079 0.297486 0.609139 Sr\n0.055912 0.800542 0.609296 Sr\n0.555047 0.305877 0.113602 Sr\n0.556475 0.298301 0.609263 Sr\n0.558095 0.797396 0.112029 Sr\n0.554553 0.792066 0.604227 Sr\n0.440753 0.196675 0.385733 Sr\n0.444578 0.201960 0.890268 Sr\n0.446523 0.692716 0.385270 Sr\n0.445921 0.699801 0.889413 Sr\n0.947923 0.201074 0.388386 Sr\n0.944313 0.203756 0.888085 Sr\n0.945908 0.697888 0.388537 Sr\n0.945826 0.699109 0.890516 Sr\n0.997556 0.997970 0.992767 Ti\n0.002925 0.000250 0.500491 Ti\n0.999058 0.497313 0.996803 Ti\n0.005672 0.503500 0.505559 Ti\n0.498722 0.997313 0.992749 Ti\n0.498887 0.993355 0.489949 Ti\n0.501274 0.496466 0.994863 Ti\n0.503475 0.498765 0.501523 Ti\n0.249882 0.248486 0.996570 Ti\n0.253497 0.251802 0.502607 Ti\n0.252027 0.749160 0.997804 Ti\n0.253041 0.749673 0.500549 Ti\n0.755957 0.254513 0.006706 Ti\n0.756092 0.252826 0.503548 Ti\n0.751062 0.747572 0.998503 Ti\n0.754083 0.750392 0.501372 Ti\n0.120713 0.107861 0.255537 Ti\n0.115610 0.606781 0.251096 Ti\n0.620304 0.102839 0.254254 Ti\n0.602635 0.084399 0.748778 Ti\n0.622308 0.608568 0.251108 Ti\n0.366530 0.393777 0.251943 Ti\n0.866131 0.401125 0.252862 Ti\n0.867991 0.881136 0.251863 Ti\n0.105497 0.093993 0.748734 Mn\n0.107454 0.592889 0.750395 Mn\n0.606266 0.593195 0.749395 Mn\n0.354763 0.408719 0.748500 Mn\n0.374792 0.875368 0.249616 Mn\n0.355258 0.898621 0.747778 Mn\n0.857288 0.409806 0.749219 Mn\n0.857281 0.906689 0.747889 Mn\n0.122577 0.118530 0.487553 O\n0.121464 0.123673 0.993621 O\n0.124252 0.621755 0.492342 O\n0.124866 0.624347 0.994807 O\n0.624452 0.121047 0.491501 O\n0.623308 0.124095 0.994521 O\n0.622001 0.619572 0.489196 O\n0.624936 0.622236 0.995457 O\n0.127597 0.374506 0.004289 O\n0.129786 0.376772 0.505180 O\n0.126843 0.878557 0.002904 O\n0.129169 0.875167 0.502539 O\n0.629508 0.375249 0.003790 O\n0.628850 0.373515 0.501308 O\n0.628569 0.878386 0.007850 O\n0.631141 0.879193 0.508577 O\n0.374271 0.118011 0.491082 O\n0.376158 0.122200 0.995106 O\n0.374529 0.619919 0.491446 O\n0.376518 0.621105 0.993300 O\n0.873119 0.119791 0.489646 O\n0.873758 0.123669 0.994161 O\n0.875107 0.621106 0.493288 O\n0.872561 0.620518 0.995101 O\n0.382394 0.376623 0.005421 O\n0.380365 0.378109 0.505967 O\n0.383551 0.880407 0.004098 O\n0.382335 0.880219 0.506650 O\n0.877042 0.376411 0.002315 O\n0.881063 0.379304 0.504693 O\n0.880017 0.880878 0.006645 O\n0.880036 0.879147 0.506813 O\n0.068653 0.095183 0.140415 O\n0.073228 0.079218 0.623340 O\n0.060189 0.568155 0.130233 O\n0.071517 0.580332 0.624819 O\n0.573917 0.097864 0.141777 O\n0.586694 0.097385 0.645770 O\n0.574017 0.576534 0.132599 O\n0.571656 0.578642 0.623430 O\n0.431488 0.415261 0.369648 O\n0.445079 0.418116 0.872169 O\n0.447613 0.915621 0.377112 O\n0.447251 0.922626 0.872632 O\n0.938139 0.420331 0.368476 O\n0.945776 0.422041 0.872771 O\n0.933001 0.912566 0.370868 O\n0.936238 0.920822 0.871851 O\n0.315971 0.307054 0.131516 O\n0.317534 0.291797 0.623285 O\n0.322738 0.805772 0.121164 O\n0.320473 0.795821 0.624102 O\n0.818156 0.312717 0.130772 O\n0.820401 0.297133 0.622475 O\n0.813801 0.798515 0.131355 O\n0.815541 0.793467 0.625749 O\n0.186175 0.212539 0.370733 O\n0.197025 0.202657 0.873495 O\n0.189028 0.697138 0.371134 O\n0.197352 0.705106 0.873803 O\n0.699228 0.209238 0.365751 O\n0.686222 0.197131 0.853641 O\n0.692173 0.701405 0.372353 O\n0.693632 0.705317 0.874873 O\n0.480384 0.040506 0.261899 O\n0.439302 0.067280 0.747257 O\n0.480104 0.520389 0.257881 O\n0.422851 0.576865 0.748280 O\n0.981290 0.021660 0.259386 O\n0.922973 0.074116 0.748036 O\n0.962514 0.537724 0.252364 O\n0.924407 0.578430 0.749252 O\n0.213498 0.468743 0.251352 O\n0.172558 0.422459 0.748727 O\n0.232036 0.993773 0.259947 O\n0.177208 0.926874 0.749305 O\n0.710548 0.456761 0.251746 O\n0.674675 0.426315 0.747989 O\n0.718236 0.970346 0.250103 O\n0.665442 0.934568 0.748597 O\n",
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"elements": [
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"Sr",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O-Sr-Ti",
"density": 4.736780812246987,
"density_atomic": 0.06996641257009115,
"volume": 2058.130390146033,
"volume_molar": 8.607188133259115,
"formula_full": "Ba4 Sr28 Ti24 Mn8 O80",
"formula_reduced": "BaSr7Ti6Mn2O20",
"formula_anonymous": "AB2C6D7E20",
"energy": -1169.73757102,
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"updated_at": "2021-11-28T01:34:29.968000Z",
"spacegroup": 1
},
{
"id": "mp-16085",
"created_at": "2022-09-04T14:39:08.199151Z",
"structure_string": "Nd6 Co58 Si8 B20\n1.0\n11.177082 0.000000 0.000000\n0.000000 11.177082 0.000000\n0.000000 0.000000 7.851189\nNd Co Si B\n6 58 8 20\ndirect\n0.250000 0.750000 0.000000 Nd\n0.250000 0.250000 0.000000 Nd\n0.750000 0.750000 0.000000 Nd\n0.750000 0.250000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.500000 0.500000 0.500000 Nd\n0.338218 0.675014 0.337214 Co\n0.274561 0.000000 0.525328 Co\n0.500000 0.774561 0.525328 Co\n0.500000 0.225439 0.525328 Co\n0.836351 0.500000 0.971549 Co\n0.000000 0.663649 0.971549 Co\n0.000000 0.336351 0.971549 Co\n0.163649 0.500000 0.971549 Co\n0.663649 0.000000 0.028451 Co\n0.336351 0.000000 0.028451 Co\n0.500000 0.836351 0.028451 Co\n0.500000 0.163649 0.028451 Co\n0.886225 0.386225 0.252453 Co\n0.886225 0.613775 0.252453 Co\n0.113775 0.386225 0.252453 Co\n0.113775 0.613775 0.252453 Co\n0.613775 0.886225 0.747547 Co\n0.386225 0.113775 0.747547 Co\n0.386225 0.886225 0.747547 Co\n0.613775 0.113775 0.747547 Co\n0.890534 0.390534 0.698229 Co\n0.890534 0.609466 0.698229 Co\n0.109466 0.390534 0.698229 Co\n0.109466 0.609466 0.698229 Co\n0.609466 0.890534 0.301771 Co\n0.390534 0.109466 0.301771 Co\n0.390534 0.890534 0.301771 Co\n0.609466 0.109466 0.301771 Co\n0.338218 0.324986 0.337214 Co\n0.824986 0.161782 0.337214 Co\n0.175014 0.838218 0.337214 Co\n0.661782 0.675014 0.337214 Co\n0.161782 0.824986 0.662786 Co\n0.838218 0.175014 0.662786 Co\n0.324986 0.338218 0.662786 Co\n0.610241 0.500000 0.888909 Co\n0.161782 0.175014 0.662786 Co\n0.675014 0.338218 0.662786 Co\n0.324986 0.661782 0.662786 Co\n0.838218 0.824986 0.662786 Co\n0.725439 0.000000 0.525328 Co\n0.000000 0.889759 0.888909 Co\n0.175014 0.161782 0.337214 Co\n0.824986 0.838218 0.337214 Co\n0.000000 0.110241 0.888909 Co\n0.389759 0.500000 0.888909 Co\n0.500000 0.000000 0.531222 Co\n0.000000 0.500000 0.468778 Co\n0.110241 0.000000 0.111091 Co\n0.225439 0.500000 0.474672 Co\n0.000000 0.274561 0.474672 Co\n0.000000 0.725439 0.474672 Co\n0.774561 0.500000 0.474672 Co\n0.500000 0.610241 0.111091 Co\n0.500000 0.389759 0.111091 Co\n0.889759 0.000000 0.111091 Co\n0.675014 0.661782 0.662786 Co\n0.661782 0.324986 0.337214 Co\n0.500000 0.681487 0.824215 Si\n0.318513 0.500000 0.175785 Si\n0.000000 0.181487 0.175785 Si\n0.000000 0.818513 0.175785 Si\n0.681487 0.500000 0.175785 Si\n0.181487 0.000000 0.824215 Si\n0.818513 0.000000 0.824215 Si\n0.500000 0.318513 0.824215 Si\n0.686179 0.186179 0.517668 B\n0.313821 0.813821 0.517668 B\n0.313821 0.186179 0.517668 B\n0.686179 0.813821 0.517668 B\n0.186179 0.686179 0.482332 B\n0.186179 0.313821 0.482332 B\n0.500000 0.255870 0.261928 B\n0.500000 0.744130 0.261928 B\n0.244130 0.000000 0.261928 B\n0.755870 0.000000 0.261928 B\n0.255870 0.500000 0.738072 B\n0.000000 0.244130 0.738072 B\n0.000000 0.755870 0.738072 B\n0.744130 0.500000 0.738072 B\n0.500000 0.000000 0.148547 B\n0.000000 0.500000 0.851453 B\n0.500000 0.000000 0.893116 B\n0.000000 0.500000 0.106884 B\n0.813821 0.686179 0.482332 B\n0.813821 0.313821 0.482332 B\n",
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],
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"volume": 980.8267603682427,
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"formula_full": "Nd6 Co58 Si8 B20",
"formula_reduced": "Nd3Co29(Si2B5)2",
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"energy": -653.90423347,
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"updated_at": "2021-11-28T01:34:42.574000Z",
"spacegroup": 129
},
{
"id": "mp-1218222",
"created_at": "2022-09-04T14:39:09.230910Z",
"structure_string": "Sr2 La2 Co2 Ru2 O12\n1.0\n5.659663 0.000000 0.000000\n0.000000 5.650658 0.000000\n0.000000 5.632004 7.942142\nSr La Co Ru O\n2 2 2 2 12\ndirect\n0.780557 0.755932 0.749412 Sr\n0.219443 0.755932 0.249412 Sr\n0.711244 0.237950 0.252024 La\n0.288756 0.237950 0.752024 La\n0.752747 0.000167 0.999981 Co\n0.247253 0.000167 0.499981 Co\n0.749986 0.500337 0.500115 Ru\n0.250014 0.500337 0.000115 Ru\n0.238739 0.661978 0.755081 O\n0.761261 0.661978 0.255081 O\n0.268935 0.319575 0.244858 O\n0.731065 0.319575 0.744858 O\n0.533306 0.191569 0.536375 O\n0.466694 0.191569 0.036375 O\n0.955996 0.823194 0.458637 O\n0.044004 0.823194 0.958637 O\n0.033209 0.255464 0.541481 O\n0.966791 0.255464 0.041481 O\n0.478246 0.753833 0.462037 O\n0.521754 0.753833 0.962037 O\n",
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"density": 6.309162716369627,
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"volume": 253.9962137819944,
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"formula_full": "Sr2 La2 Co2 Ru2 O12",
"formula_reduced": "SrLaCoRuO6",
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{
"id": "mp-1233237",
"created_at": "2022-09-04T14:39:06.916947Z",
"structure_string": "Mg1 Fe8 O14 F2\n1.0\n-4.615434 4.817904 -2.917624\n4.980436 5.170972 -2.973366\n-0.147145 -5.006704 -2.959612\nMg Fe O F\n1 8 14 2\ndirect\n0.742587 0.735543 0.972569 Mg\n0.746820 0.235702 0.500665 Fe\n0.477667 0.022450 0.975576 Fe\n0.241443 0.263606 0.530003 Fe\n0.729615 0.782688 0.475059 Fe\n0.503726 0.468660 0.036095 Fe\n0.976162 0.033235 0.982500 Fe\n0.233452 0.755055 0.504725 Fe\n0.034427 0.466331 0.052519 Fe\n0.974717 0.184309 0.346568 O\n0.922949 0.228676 0.839697 O\n0.563410 0.265792 0.174309 O\n0.302996 0.031379 0.654077 O\n0.519487 0.319197 0.685155 O\n0.759754 0.565614 0.163329 O\n0.716217 0.932162 0.824855 O\n0.234551 0.427011 0.881663 O\n0.474711 0.679120 0.343538 O\n0.669806 0.966333 0.291129 O\n0.192689 0.476102 0.393423 O\n0.432243 0.765942 0.837606 O\n0.046522 0.737231 0.166166 O\n0.004864 0.829462 0.656034 O\n0.808394 0.520602 0.681951 F\n0.264863 0.076316 0.161739 F\n",
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"formula_full": "Mg1 Fe8 O14 F2",
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{
"id": "mp-1225433",
"created_at": "2022-09-04T14:39:11.490818Z",
"structure_string": "Eu2 Ge3 Au1\n1.0\n-2.193844 -3.802364 0.000000\n-2.196854 3.804102 0.000000\n0.000000 0.000000 -8.724132\nEu Ge Au\n2 3 1\ndirect\n0.999993 0.999982 0.004930 Eu\n0.999993 0.999982 0.495070 Eu\n0.333250 0.666638 0.750000 Ge\n0.666474 0.333323 0.250000 Ge\n0.666650 0.333347 0.750000 Ge\n0.333440 0.666727 0.250000 Au\n",
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"formula_full": "Eu2 Ge3 Au1",
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{
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{
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"structure_string": "Cr2 H20 S2 O18\n1.0\n5.890691 0.000000 0.000000\n0.915561 7.209700 0.000000\n0.896048 3.012840 11.990946\nCr H S O\n2 20 2 18\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.342489 0.042841 0.266470 H\n0.657511 0.957159 0.733530 H\n0.419515 0.524098 0.824181 H\n0.580485 0.475902 0.175819 H\n0.931529 0.638753 0.291826 H\n0.068471 0.361247 0.708174 H\n0.326494 0.698913 0.089890 H\n0.673506 0.301087 0.910110 H\n0.394814 0.292517 0.399095 H\n0.605186 0.707483 0.600905 H\n0.173181 0.784780 0.490148 H\n0.826819 0.215220 0.509852 H\n0.339860 0.090544 0.459784 H\n0.660140 0.909456 0.540216 H\n0.755529 0.739177 0.365077 H\n0.244471 0.260823 0.634923 H\n0.747450 0.283595 0.035642 H\n0.252550 0.716405 0.964358 H\n0.561014 0.673373 0.209740 H\n0.438986 0.326627 0.790260 H\n0.703316 0.040433 0.228660 S\n0.296684 0.959567 0.771340 S\n0.708072 0.249166 0.178437 O\n0.291928 0.750834 0.821563 O\n0.820878 0.612364 0.355430 O\n0.179122 0.387636 0.644570 O\n0.451894 0.154414 0.405822 O\n0.548106 0.845586 0.594178 O\n0.437859 0.996448 0.207663 O\n0.562141 0.003552 0.792337 O\n0.836264 0.928404 0.150007 O\n0.163736 0.071596 0.849993 O\n0.192885 0.745267 0.036108 O\n0.807115 0.254733 0.963892 O\n0.250585 0.499285 0.422571 O\n0.749415 0.500715 0.577429 O\n0.014692 0.755609 0.512266 O\n0.985308 0.244391 0.487734 O\n0.538783 0.615564 0.149075 O\n0.461217 0.384436 0.850925 O\n",
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{
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"structure_string": "Sr2 Mn2 Sb2 F2\n1.0\n4.451885 0.000000 0.000000\n0.000000 4.451885 0.000000\n0.000000 0.000000 9.603600\nSr Mn Sb F\n2 2 2 2\ndirect\n0.000000 0.500000 0.867053 Sr\n0.500000 0.000000 0.132947 Sr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.312461 Sb\n0.500000 0.000000 0.687539 Sb\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
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{
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"structure_string": "Li2 Mn6 B6 O18\n1.0\n-5.313864 0.000000 0.000000\n-0.324235 -8.191346 0.000000\n2.566208 2.483023 8.510891\nLi Mn B O\n2 6 6 18\ndirect\n0.644207 0.039332 0.627661 Li\n0.312997 0.711742 0.968288 Li\n0.815784 0.030196 0.221339 Mn\n0.871841 0.626166 0.119515 Mn\n0.505025 0.297062 0.437643 Mn\n0.467724 0.688928 0.553168 Mn\n0.141178 0.364725 0.883785 Mn\n0.191733 0.963274 0.779948 Mn\n0.226549 0.138442 0.107844 B\n0.440595 0.528227 0.221899 B\n0.102336 0.171843 0.550612 B\n0.895910 0.814695 0.448180 B\n0.569478 0.481174 0.778517 B\n0.772125 0.868160 0.896602 B\n0.974476 0.145790 0.113503 O\n0.698349 0.838656 0.024449 O\n0.247752 0.581658 0.109541 O\n0.437353 0.124963 0.232386 O\n0.690425 0.510170 0.212581 O\n0.373727 0.483296 0.341766 O\n0.899383 0.195684 0.426932 O\n0.948951 0.823717 0.308470 O\n0.359894 0.169056 0.551506 O\n0.653588 0.835507 0.465307 O\n0.026371 0.146692 0.677185 O\n0.113445 0.800291 0.570824 O\n0.624830 0.474977 0.635948 O\n0.327797 0.512559 0.796754 O\n0.578951 0.907317 0.777438 O\n0.783630 0.469882 0.903673 O\n0.283413 0.151730 0.971552 O\n0.023689 0.839580 0.886720 O\n",
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}