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{
"id": "mp-30083",
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"structure_string": "Tl1 Bi1\n1.0\n3.991709 0.000000 0.000000\n0.000000 3.991709 0.000000\n0.000000 0.000000 3.991709\nTl Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Bi\n",
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{
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{
"id": "mp-1214822",
"created_at": "2022-09-04T14:39:07.512714Z",
"structure_string": "Al1 Co2 Ni1\n1.0\n-1.784480 1.784480 3.555997\n1.784480 -1.784480 3.555997\n1.784480 1.784480 -3.555997\nAl Co Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.500000 0.500000 0.000000 Ni\n",
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{
"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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"density": 4.736780812246987,
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"formula_full": "Ba4 Sr28 Ti24 Mn8 O80",
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"spacegroup": 1
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{
"id": "mp-1187360",
"created_at": "2022-09-04T14:39:07.520007Z",
"structure_string": "Tb1 Ce3\n1.0\n-2.395599 2.395599 4.876396\n2.395599 -2.395599 4.876396\n2.395599 2.395599 -4.876396\nTb Ce\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.500000 Ce\n0.250000 0.750000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n",
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{
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"structure_string": "Ca2 P2 H8 O12\n1.0\n7.521601 3.255487 0.000000\n-7.521601 3.255487 0.000000\n0.000000 2.513732 5.250683\nCa P H O\n2 2 8 12\ndirect\n0.832456 0.167544 0.750000 Ca\n0.167544 0.832456 0.250000 Ca\n0.328788 0.671212 0.750000 P\n0.671212 0.328788 0.250000 P\n0.734853 0.743828 0.081896 H\n0.256172 0.265147 0.418104 H\n0.265147 0.256172 0.918104 H\n0.743828 0.734853 0.581896 H\n0.649860 0.821807 0.257538 H\n0.178193 0.350140 0.242462 H\n0.350140 0.178193 0.742462 H\n0.821807 0.649860 0.757538 H\n0.183490 0.409091 0.923950 O\n0.590909 0.816510 0.576050 O\n0.816510 0.590909 0.076050 O\n0.409091 0.183490 0.423950 O\n0.182625 0.646101 0.593945 O\n0.353899 0.817375 0.906055 O\n0.817375 0.353899 0.406055 O\n0.646101 0.182625 0.093945 O\n0.706607 0.843722 0.079787 O\n0.156278 0.293393 0.420213 O\n0.293393 0.156278 0.920213 O\n0.843722 0.706607 0.579787 O\n",
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{
"id": "mp-1037843",
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"structure_string": "Ba1 Mg30 Mn1 O32\n1.0\n8.666479 0.000000 0.000000\n0.000000 8.666479 0.000000\n0.000000 0.000000 8.666233\nBa Mg Mn O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.243382 0.243382 0.000000 Mg\n0.756618 0.243382 0.000000 Mg\n0.243382 0.756618 0.000000 Mg\n0.756618 0.756618 0.000000 Mg\n0.249365 0.249365 0.500000 Mg\n0.750635 0.249365 0.500000 Mg\n0.249365 0.750635 0.500000 Mg\n0.750635 0.750635 0.500000 Mg\n0.250198 0.000000 0.251518 Mg\n0.749802 0.000000 0.251518 Mg\n0.242470 0.500000 0.257387 Mg\n0.757530 0.500000 0.257387 Mg\n0.250198 0.000000 0.748482 Mg\n0.749802 0.000000 0.748482 Mg\n0.242470 0.500000 0.742613 Mg\n0.757530 0.500000 0.742613 Mg\n0.000000 0.250198 0.251518 Mg\n0.500000 0.242470 0.257387 Mg\n0.000000 0.749802 0.251518 Mg\n0.500000 0.757530 0.257387 Mg\n0.000000 0.250198 0.748482 Mg\n0.500000 0.242470 0.742613 Mg\n0.000000 0.749802 0.748482 Mg\n0.500000 0.757530 0.742613 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.257758 O\n0.500000 0.000000 0.256398 O\n0.000000 0.500000 0.256398 O\n0.500000 0.500000 0.278996 O\n0.000000 0.000000 0.742242 O\n0.500000 0.000000 0.743602 O\n0.000000 0.500000 0.743602 O\n0.500000 0.500000 0.721004 O\n0.250315 0.250315 0.249160 O\n0.749685 0.250315 0.249160 O\n0.250315 0.749685 0.249160 O\n0.749685 0.749685 0.249160 O\n0.250315 0.250315 0.750840 O\n0.749685 0.250315 0.750840 O\n0.250315 0.749685 0.750840 O\n0.749685 0.749685 0.750840 O\n0.250974 0.000000 0.000000 O\n0.749026 0.000000 0.000000 O\n0.221423 0.500000 0.000000 O\n0.778577 0.500000 0.000000 O\n0.249361 0.000000 0.500000 O\n0.750639 0.000000 0.500000 O\n0.244459 0.500000 0.500000 O\n0.755541 0.500000 0.500000 O\n0.000000 0.250974 0.000000 O\n0.500000 0.221423 0.000000 O\n0.000000 0.749026 0.000000 O\n0.500000 0.778577 0.000000 O\n0.000000 0.249361 0.500000 O\n0.500000 0.244459 0.500000 O\n0.000000 0.750639 0.500000 O\n0.500000 0.755541 0.500000 O\n",
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"volume": 650.9021997899578,
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"formula_full": "Ba1 Mg30 Mn1 O32",
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{
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{
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{
"id": "mp-1026531",
"created_at": "2022-09-04T14:39:07.528696Z",
"structure_string": "Mg14 Nb1 W1\n1.0\n6.307828 0.136677 0.000000\n-3.035548 5.257724 0.000000\n0.000000 0.000000 10.063746\nMg Nb W\n14 1 1\ndirect\n0.166658 0.333329 0.625000 Mg\n0.165147 0.832573 0.625000 Mg\n0.661023 0.329087 0.125000 Mg\n0.663400 0.332526 0.625000 Mg\n0.661023 0.831935 0.125000 Mg\n0.663400 0.830873 0.625000 Mg\n0.327571 0.161468 0.363836 Mg\n0.327571 0.161468 0.886164 Mg\n0.327571 0.666104 0.363836 Mg\n0.327571 0.666104 0.886164 Mg\n0.847045 0.173523 0.371714 Mg\n0.847045 0.173523 0.878286 Mg\n0.850533 0.675267 0.364982 Mg\n0.850533 0.675267 0.885018 Mg\n0.156535 0.328267 0.125000 Nb\n0.157375 0.828687 0.125000 W\n",
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{
"id": "mp-1210546",
"created_at": "2022-09-04T14:39:07.528774Z",
"structure_string": "Mo4 S4 Cl4\n1.0\n0.000000 4.902285 4.902285\n4.902285 0.000000 4.902285\n4.902285 4.902285 0.000000\nMo S Cl\n4 4 4\ndirect\n0.350955 0.350955 0.350955 Mo\n0.350955 0.350955 0.947135 Mo\n0.350955 0.947135 0.350955 Mo\n0.947135 0.350955 0.350955 Mo\n0.116078 0.116078 0.116078 S\n0.116078 0.116078 0.651767 S\n0.116078 0.651767 0.116078 S\n0.651767 0.116078 0.116078 S\n0.617974 0.617974 0.617974 Cl\n0.617974 0.617974 0.146077 Cl\n0.617974 0.146077 0.617974 Cl\n0.146077 0.617974 0.617974 Cl\n",
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{
"id": "mp-1028051",
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"structure_string": "K1 Y1 Mg14\n1.0\n6.637377 -0.000132 0.000000\n-3.318803 5.748335 0.000000\n0.000000 0.000000 10.595525\nK Y Mg\n1 1 14\ndirect\n0.166143 0.833071 0.125000 K\n0.172309 0.336154 0.125000 Y\n0.165400 0.332699 0.625000 Mg\n0.166585 0.833292 0.625000 Mg\n0.662477 0.328392 0.125000 Mg\n0.667518 0.334028 0.625000 Mg\n0.662477 0.834085 0.125000 Mg\n0.667518 0.833489 0.625000 Mg\n0.339455 0.176173 0.386876 Mg\n0.339455 0.176173 0.863124 Mg\n0.339455 0.663283 0.386876 Mg\n0.339455 0.663283 0.863124 Mg\n0.832555 0.166278 0.376484 Mg\n0.832555 0.166278 0.873516 Mg\n0.823321 0.661661 0.382715 Mg\n0.823321 0.661661 0.867285 Mg\n",
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]
}