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{
"id": "mp-1099847",
"created_at": "2022-09-04T14:42:48.104098Z",
"structure_string": "Sr4 Ca28 Fe4 Co28 O80\n1.0\n-0.093216 0.004052 10.650337\n11.132184 0.004483 -0.096317\n-5.513554 15.228626 -5.271916\nSr Ca Fe Co O\n4 28 4 28 80\ndirect\n0.306551 0.563275 0.608882 Sr\n0.056996 0.294220 0.610096 Sr\n0.559540 0.295529 0.610059 Sr\n0.449570 0.199801 0.890159 Sr\n0.304778 0.065741 0.110323 Ca\n0.305678 0.063102 0.604102 Ca\n0.306366 0.567350 0.110995 Ca\n0.803127 0.066497 0.109490 Ca\n0.803808 0.063566 0.607610 Ca\n0.808154 0.566249 0.110613 Ca\n0.803677 0.567812 0.607490 Ca\n0.194851 0.431354 0.388149 Ca\n0.198443 0.434315 0.897007 Ca\n0.197313 0.931557 0.388979 Ca\n0.195329 0.936605 0.892811 Ca\n0.695258 0.432602 0.388996 Ca\n0.701364 0.433059 0.896616 Ca\n0.695578 0.934048 0.390134 Ca\n0.695380 0.938886 0.892566 Ca\n0.053618 0.295621 0.109383 Ca\n0.056399 0.793291 0.109691 Ca\n0.053348 0.793626 0.607797 Ca\n0.558113 0.291296 0.110320 Ca\n0.556655 0.792490 0.110913 Ca\n0.554915 0.795370 0.607804 Ca\n0.445825 0.205435 0.388678 Ca\n0.446585 0.707598 0.390093 Ca\n0.448543 0.714651 0.896050 Ca\n0.943046 0.204426 0.388082 Ca\n0.946583 0.207043 0.891335 Ca\n0.945236 0.704825 0.389760 Ca\n0.944597 0.711103 0.892948 Ca\n0.103106 0.595517 0.752807 Fe\n0.614226 0.597122 0.754640 Fe\n0.359640 0.412224 0.754849 Fe\n0.354893 0.907924 0.747722 Fe\n0.005169 0.002428 0.002126 Co\n0.003285 0.995850 0.496132 Co\n0.006613 0.501603 0.001733 Co\n0.001355 0.498828 0.495557 Co\n0.506352 0.999654 0.003340 Co\n0.504764 0.997990 0.496505 Co\n0.507975 0.499918 0.001819 Co\n0.504195 0.499445 0.495853 Co\n0.256238 0.251519 0.004165 Co\n0.251925 0.245299 0.494001 Co\n0.255313 0.751178 0.000567 Co\n0.255164 0.749036 0.497735 Co\n0.757913 0.251169 0.003295 Co\n0.752307 0.247510 0.494777 Co\n0.756659 0.752130 0.001334 Co\n0.753618 0.749259 0.497900 Co\n0.107725 0.093156 0.248430 Co\n0.104320 0.091695 0.750043 Co\n0.109371 0.594995 0.250232 Co\n0.608421 0.093047 0.250174 Co\n0.612811 0.091306 0.748539 Co\n0.608895 0.594052 0.249709 Co\n0.356626 0.406375 0.249145 Co\n0.357696 0.904816 0.249461 Co\n0.857190 0.405628 0.249503 Co\n0.860067 0.404888 0.753083 Co\n0.857456 0.904710 0.249559 Co\n0.857663 0.903912 0.750149 Co\n0.119964 0.111468 0.485413 O\n0.124771 0.127647 0.990076 O\n0.117591 0.614383 0.484096 O\n0.126840 0.625887 0.989314 O\n0.622222 0.116965 0.482319 O\n0.626795 0.119089 0.993188 O\n0.620112 0.616912 0.486670 O\n0.629651 0.626625 0.990836 O\n0.136876 0.388761 0.016869 O\n0.132675 0.368556 0.502888 O\n0.133160 0.887306 0.014357 O\n0.137048 0.872781 0.510489 O\n0.637764 0.386861 0.017403 O\n0.638988 0.377618 0.507522 O\n0.633709 0.884102 0.016966 O\n0.638159 0.874290 0.510426 O\n0.368154 0.118994 0.484290 O\n0.373105 0.109451 0.991615 O\n0.368760 0.620250 0.481853 O\n0.377428 0.611911 0.988967 O\n0.868251 0.118762 0.485082 O\n0.876336 0.114154 0.988422 O\n0.867627 0.621817 0.485260 O\n0.876975 0.614708 0.986627 O\n0.383289 0.377696 0.013672 O\n0.384650 0.382992 0.503122 O\n0.385497 0.877760 0.014879 O\n0.384634 0.882645 0.510153 O\n0.887477 0.384558 0.013610 O\n0.883573 0.386468 0.507680 O\n0.885281 0.881585 0.015927 O\n0.887160 0.883380 0.509344 O\n0.088008 0.106427 0.142500 O\n0.085506 0.090348 0.640257 O\n0.088110 0.605803 0.143503 O\n0.079438 0.600383 0.639317 O\n0.587830 0.104105 0.143964 O\n0.590807 0.091150 0.638631 O\n0.588725 0.603885 0.142650 O\n0.587102 0.599841 0.639872 O\n0.445702 0.398035 0.356578 O\n0.454707 0.400733 0.862712 O\n0.445350 0.897099 0.357194 O\n0.447986 0.898999 0.858431 O\n0.942506 0.397053 0.357573 O\n0.950676 0.396156 0.858893 O\n0.943971 0.895634 0.357795 O\n0.946563 0.898295 0.857940 O\n0.335935 0.288745 0.141174 O\n0.330656 0.291874 0.642303 O\n0.335622 0.788953 0.141089 O\n0.335320 0.790970 0.636471 O\n0.837956 0.289869 0.142333 O\n0.831218 0.289719 0.644968 O\n0.838013 0.788824 0.141656 O\n0.836645 0.790351 0.641624 O\n0.195059 0.209215 0.355439 O\n0.187658 0.208843 0.859208 O\n0.195528 0.711304 0.357538 O\n0.197428 0.718263 0.862772 O\n0.695868 0.211373 0.356193 O\n0.695066 0.206405 0.858011 O\n0.693490 0.710735 0.357094 O\n0.703240 0.721390 0.864524 O\n0.425026 0.067275 0.249614 O\n0.425406 0.063789 0.741675 O\n0.425298 0.568131 0.249600 O\n0.433812 0.574422 0.758527 O\n0.924960 0.066637 0.249281 O\n0.921308 0.068407 0.749673 O\n0.926478 0.567993 0.250291 O\n0.920854 0.570974 0.750959 O\n0.174831 0.432945 0.249295 O\n0.180625 0.441260 0.759439 O\n0.175278 0.931887 0.249069 O\n0.174207 0.929928 0.750767 O\n0.675177 0.432244 0.249288 O\n0.681891 0.440095 0.759858 O\n0.675704 0.931704 0.250057 O\n0.674760 0.928618 0.750249 O\n",
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"elements": [
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"Ca",
"Fe",
"Co",
"O"
],
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"density": 4.253763943438467,
"density_atomic": 0.07973874089423094,
"volume": 1805.8975898679926,
"volume_molar": 7.552339919673473,
"formula_full": "Sr4 Ca28 Fe4 Co28 O80",
"formula_reduced": "SrCa7FeCo7O20",
"formula_anonymous": "ABC7D7E20",
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"updated_at": "2021-11-28T01:35:50.685000Z",
"spacegroup": 1
},
{
"id": "mp-5053",
"created_at": "2022-09-04T14:42:43.701140Z",
"structure_string": "K24 Cr24 F96\n1.0\n7.584264 0.000000 0.000000\n0.000000 16.076028 0.000000\n0.000000 0.000000 18.710525\nK Cr F\n24 24 96\ndirect\n0.750000 0.543199 0.968437 K\n0.250000 0.456801 0.031563 K\n0.750000 0.043199 0.531563 K\n0.250000 0.956801 0.468437 K\n0.250000 0.039320 0.023195 K\n0.750000 0.960680 0.976805 K\n0.250000 0.539320 0.476805 K\n0.750000 0.460680 0.523195 K\n0.250000 0.069803 0.679869 K\n0.750000 0.930197 0.320131 K\n0.250000 0.569803 0.820131 K\n0.750000 0.430197 0.179869 K\n0.250000 0.399104 0.665671 K\n0.750000 0.600896 0.334329 K\n0.250000 0.899104 0.834329 K\n0.750000 0.100896 0.165671 K\n0.250000 0.281878 0.210222 K\n0.750000 0.718122 0.789778 K\n0.250000 0.781878 0.289778 K\n0.750000 0.218122 0.710222 K\n0.750000 0.459422 0.714702 K\n0.250000 0.540578 0.285298 K\n0.750000 0.959422 0.785298 K\n0.250000 0.040578 0.214702 K\n0.499288 0.131807 0.868980 Cr\n0.999288 0.868193 0.131020 Cr\n0.000712 0.631807 0.631020 Cr\n0.500712 0.368193 0.368980 Cr\n0.500712 0.868193 0.131020 Cr\n0.000712 0.131807 0.868980 Cr\n0.999288 0.368193 0.368980 Cr\n0.499288 0.631807 0.631020 Cr\n0.497973 0.364057 0.873790 Cr\n0.997973 0.635943 0.126210 Cr\n0.002027 0.864057 0.626210 Cr\n0.502027 0.135943 0.373790 Cr\n0.502027 0.635943 0.126210 Cr\n0.002027 0.364057 0.873790 Cr\n0.997973 0.135943 0.373790 Cr\n0.497973 0.864057 0.626210 Cr\n0.499046 0.247225 0.046973 Cr\n0.999046 0.752775 0.953027 Cr\n0.000954 0.747225 0.453027 Cr\n0.500954 0.252775 0.546973 Cr\n0.500954 0.752775 0.953027 Cr\n0.000954 0.247225 0.046973 Cr\n0.999046 0.252775 0.546973 Cr\n0.499046 0.747225 0.453027 Cr\n0.541047 0.096897 0.773540 F\n0.041047 0.903103 0.226460 F\n0.958953 0.596897 0.726460 F\n0.458953 0.403103 0.273540 F\n0.458953 0.903103 0.226460 F\n0.958953 0.096897 0.773540 F\n0.041047 0.403103 0.273540 F\n0.541047 0.596897 0.726460 F\n0.458420 0.163645 0.969963 F\n0.958420 0.836355 0.030037 F\n0.041580 0.663645 0.530037 F\n0.541580 0.336355 0.469963 F\n0.541580 0.836355 0.030037 F\n0.041580 0.163645 0.969963 F\n0.958420 0.336355 0.469963 F\n0.458420 0.663645 0.530037 F\n0.461496 0.019355 0.899114 F\n0.961496 0.980645 0.100886 F\n0.038504 0.519355 0.600886 F\n0.538504 0.480645 0.399114 F\n0.538504 0.980645 0.100886 F\n0.038504 0.019355 0.899114 F\n0.961496 0.480645 0.399114 F\n0.461496 0.519355 0.600886 F\n0.548813 0.248369 0.840050 F\n0.048813 0.751631 0.159950 F\n0.951187 0.748369 0.659950 F\n0.451187 0.251631 0.340050 F\n0.451187 0.751631 0.159950 F\n0.951187 0.248369 0.840050 F\n0.048813 0.251631 0.340050 F\n0.548813 0.748369 0.659950 F\n0.460308 0.399001 0.778019 F\n0.960308 0.600999 0.221981 F\n0.039692 0.899001 0.721981 F\n0.539692 0.100999 0.278019 F\n0.539692 0.600999 0.221981 F\n0.039692 0.399001 0.778019 F\n0.960308 0.100999 0.278019 F\n0.460308 0.899001 0.721981 F\n0.750000 0.113903 0.893607 F\n0.250000 0.886097 0.106393 F\n0.750000 0.613903 0.606393 F\n0.250000 0.386097 0.393607 F\n0.750000 0.393790 0.859665 F\n0.250000 0.606210 0.140335 F\n0.750000 0.893790 0.640335 F\n0.250000 0.106210 0.359665 F\n0.250000 0.147719 0.845193 F\n0.750000 0.852281 0.154807 F\n0.250000 0.647719 0.654807 F\n0.750000 0.352281 0.345193 F\n0.250000 0.333511 0.888808 F\n0.750000 0.666489 0.111192 F\n0.250000 0.833511 0.611192 F\n0.750000 0.166489 0.388808 F\n0.457441 0.473238 0.909353 F\n0.957441 0.526762 0.090647 F\n0.042559 0.973238 0.590647 F\n0.542559 0.026762 0.409353 F\n0.542559 0.526762 0.090647 F\n0.042559 0.473238 0.909353 F\n0.957441 0.026762 0.409353 F\n0.457441 0.973238 0.590647 F\n0.250000 0.281208 0.039155 F\n0.750000 0.718792 0.960845 F\n0.250000 0.781208 0.460845 F\n0.750000 0.218792 0.539155 F\n0.442115 0.163734 0.115778 F\n0.942115 0.836266 0.884222 F\n0.057885 0.663734 0.384222 F\n0.557885 0.336266 0.615778 F\n0.557885 0.836266 0.884222 F\n0.057885 0.163734 0.115778 F\n0.942115 0.336266 0.615778 F\n0.442115 0.663734 0.384222 F\n0.552032 0.331977 0.973719 F\n0.052032 0.668023 0.026281 F\n0.947968 0.831977 0.526281 F\n0.447968 0.168023 0.473719 F\n0.447968 0.668023 0.026281 F\n0.947968 0.331977 0.973719 F\n0.052032 0.168023 0.473719 F\n0.552032 0.831977 0.526281 F\n0.519631 0.327882 0.119806 F\n0.019631 0.672118 0.880194 F\n0.980369 0.827882 0.380194 F\n0.480369 0.172118 0.619806 F\n0.480369 0.672118 0.880194 F\n0.980369 0.327882 0.119806 F\n0.019631 0.172118 0.619806 F\n0.519631 0.827882 0.380194 F\n0.750000 0.213276 0.052468 F\n0.250000 0.786724 0.947532 F\n0.750000 0.713276 0.447532 F\n0.250000 0.286724 0.552468 F\n",
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"updated_at": "2021-11-28T01:36:00.497000Z",
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{
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"elements": [
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"updated_at": "2021-11-28T01:35:51.640000Z",
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},
{
"id": "mp-1256499",
"created_at": "2022-09-04T14:42:37.432955Z",
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{
"id": "mp-1076483",
"created_at": "2022-09-04T14:45:24.407154Z",
"structure_string": "La16 Sm16 Co28 Cu4 O80\n1.0\n-0.001217 0.003139 10.822396\n11.518625 0.001340 -0.001398\n-5.756637 15.609153 -5.405480\nLa Sm Co Cu O\n16 16 28 4 80\ndirect\n0.307942 0.066132 0.609786 La\n0.309761 0.567698 0.612835 La\n0.806545 0.066264 0.610277 La\n0.807232 0.567593 0.613105 La\n0.196262 0.432926 0.386719 La\n0.190346 0.436333 0.891237 La\n0.694244 0.433021 0.386758 La\n0.690797 0.931111 0.385691 La\n0.058077 0.294382 0.610972 La\n0.055718 0.796439 0.612508 La\n0.558841 0.296072 0.612566 La\n0.443741 0.202906 0.385779 La\n0.447383 0.204890 0.890513 La\n0.945663 0.204083 0.385856 La\n0.944258 0.204464 0.889847 La\n0.945114 0.705114 0.386604 La\n0.297551 0.069249 0.108079 Sm\n0.299057 0.570467 0.111992 Sm\n0.797032 0.067440 0.106468 Sm\n0.802342 0.569050 0.109222 Sm\n0.196230 0.930012 0.388149 Sm\n0.190319 0.930910 0.893064 Sm\n0.695560 0.434772 0.892624 Sm\n0.689674 0.928172 0.889780 Sm\n0.052733 0.289418 0.109592 Sm\n0.049320 0.791181 0.110863 Sm\n0.551621 0.289774 0.109223 Sm\n0.549918 0.791506 0.107944 Sm\n0.554582 0.792173 0.609467 Sm\n0.443847 0.708559 0.389914 Sm\n0.444497 0.711393 0.892587 Sm\n0.940452 0.713466 0.893138 Sm\n0.004821 0.998833 0.497757 Co\n0.005116 0.500043 0.499470 Co\n0.504724 0.998729 0.499261 Co\n0.505530 0.501178 0.002383 Co\n0.504722 0.500247 0.498483 Co\n0.255764 0.252370 0.002401 Co\n0.255376 0.248675 0.498511 Co\n0.254503 0.751729 0.002423 Co\n0.255513 0.749316 0.499257 Co\n0.756050 0.250876 0.002016 Co\n0.754571 0.249908 0.498981 Co\n0.753546 0.749157 0.498697 Co\n0.106329 0.090877 0.249341 Co\n0.109982 0.092633 0.753027 Co\n0.108594 0.594719 0.249500 Co\n0.109184 0.598130 0.753978 Co\n0.605372 0.091244 0.247863 Co\n0.608751 0.092250 0.751894 Co\n0.602001 0.592315 0.245472 Co\n0.607415 0.596102 0.750982 Co\n0.355136 0.407256 0.246634 Co\n0.361821 0.409222 0.753589 Co\n0.352494 0.903275 0.246706 Co\n0.359281 0.904298 0.750143 Co\n0.854139 0.403762 0.244741 Co\n0.855841 0.409470 0.750747 Co\n0.858054 0.906653 0.248608 Co\n0.853998 0.903412 0.750044 Co\n0.001207 0.999880 0.002736 Cu\n0.002761 0.501789 0.002418 Cu\n0.502019 0.000501 0.002299 Cu\n0.752301 0.750291 0.001959 Cu\n0.119657 0.114501 0.478981 O\n0.120054 0.120399 0.987386 O\n0.119455 0.618389 0.481857 O\n0.113448 0.622689 0.984857 O\n0.617813 0.117253 0.481286 O\n0.618973 0.117455 0.985578 O\n0.614778 0.620720 0.479386 O\n0.617388 0.618971 0.978526 O\n0.135433 0.384258 0.022991 O\n0.137384 0.381665 0.517785 O\n0.133090 0.881574 0.019138 O\n0.137467 0.880943 0.515806 O\n0.638996 0.382899 0.023028 O\n0.637525 0.383630 0.518067 O\n0.632799 0.878379 0.016167 O\n0.634191 0.878351 0.518397 O\n0.364424 0.107305 0.477880 O\n0.364848 0.110215 0.983666 O\n0.370907 0.616258 0.479950 O\n0.369975 0.616967 0.983626 O\n0.868553 0.112345 0.481058 O\n0.863937 0.107722 0.982237 O\n0.868803 0.614058 0.481520 O\n0.866854 0.613054 0.985056 O\n0.387734 0.391785 0.025087 O\n0.387407 0.386616 0.518144 O\n0.385576 0.889410 0.019662 O\n0.388937 0.882253 0.516472 O\n0.885120 0.391550 0.019568 O\n0.887298 0.387153 0.518012 O\n0.880705 0.884077 0.016117 O\n0.886005 0.884448 0.515635 O\n0.113216 0.123851 0.150307 O\n0.091100 0.109580 0.642361 O\n0.113820 0.626991 0.150207 O\n0.090433 0.614004 0.642950 O\n0.613909 0.123789 0.149345 O\n0.589507 0.111388 0.641757 O\n0.602701 0.617775 0.140712 O\n0.586786 0.612993 0.639719 O\n0.445897 0.387770 0.356871 O\n0.461319 0.388158 0.860964 O\n0.446456 0.886723 0.357888 O\n0.465166 0.876493 0.851305 O\n0.946007 0.389027 0.356328 O\n0.951951 0.378222 0.852293 O\n0.957392 0.889563 0.357827 O\n0.964482 0.878522 0.851518 O\n0.353026 0.276646 0.141895 O\n0.341060 0.281982 0.642160 O\n0.352380 0.776841 0.140614 O\n0.347605 0.780928 0.639560 O\n0.852825 0.275024 0.139197 O\n0.836317 0.281811 0.640254 O\n0.861107 0.775218 0.148278 O\n0.836501 0.779267 0.638807 O\n0.197082 0.220540 0.359012 O\n0.201916 0.222975 0.861373 O\n0.205711 0.720911 0.359299 O\n0.213215 0.723863 0.861480 O\n0.696147 0.218806 0.358922 O\n0.699283 0.223887 0.860911 O\n0.696170 0.718355 0.356484 O\n0.715137 0.724236 0.851422 O\n0.414234 0.066394 0.243805 O\n0.419011 0.070367 0.750714 O\n0.414528 0.575261 0.249704 O\n0.421058 0.575661 0.756194 O\n0.914086 0.069369 0.243005 O\n0.918944 0.067536 0.749790 O\n0.916365 0.567813 0.244270 O\n0.922307 0.576069 0.756941 O\n0.164350 0.425959 0.243799 O\n0.171478 0.432220 0.751140 O\n0.164981 0.924875 0.249727 O\n0.173829 0.930171 0.756855 O\n0.663756 0.426859 0.243659 O\n0.667905 0.432006 0.755715 O\n0.664924 0.923751 0.243902 O\n0.665513 0.926149 0.750355 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"La",
"Sm",
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-La-O-Sm",
"density": 6.66613644844912,
"density_atomic": 0.0739940573203274,
"volume": 1946.1022305698164,
"volume_molar": 8.138681642945423,
"formula_full": "La16 Sm16 Co28 Cu4 O80",
"formula_reduced": "La4Sm4Co7CuO20",
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"total_magnetization": 81.8601576,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.982000Z",
"spacegroup": 1
},
{
"id": "mp-1099948",
"created_at": "2022-09-04T14:39:40.023772Z",
"structure_string": "K16 Na16 Nb4 W28 O80\n1.0\n0.031517 0.028096 11.594069\n11.785613 0.049324 0.031863\n-5.843092 15.494372 -5.775306\nK Na Nb W O\n16 16 4 28 80\ndirect\n0.300436 0.061816 0.110841 K\n0.302696 0.561278 0.109741 K\n0.803093 0.060541 0.110661 K\n0.799170 0.559490 0.108938 K\n0.205304 0.937584 0.392038 K\n0.186204 0.935717 0.879980 K\n0.700539 0.442641 0.394939 K\n0.694416 0.427260 0.881345 K\n0.697392 0.933886 0.390661 K\n0.055990 0.292731 0.111991 K\n0.054920 0.795910 0.107916 K\n0.549779 0.293771 0.108874 K\n0.551551 0.794535 0.106340 K\n0.453497 0.713203 0.395008 K\n0.441811 0.704360 0.880845 K\n0.941289 0.701514 0.878019 K\n0.293879 0.071036 0.601695 Na\n0.306013 0.566353 0.602998 Na\n0.799518 0.061045 0.597807 Na\n0.815345 0.564654 0.603458 Na\n0.202825 0.441569 0.406562 Na\n0.195069 0.426091 0.898384 Na\n0.704207 0.937473 0.897548 Na\n0.047345 0.275250 0.598630 Na\n0.052960 0.792956 0.605125 Na\n0.564092 0.286639 0.600523 Na\n0.554875 0.786521 0.601841 Na\n0.448983 0.210935 0.404952 Na\n0.438868 0.212983 0.895437 Na\n0.952842 0.220372 0.403657 Na\n0.943137 0.213413 0.899157 Na\n0.951434 0.716791 0.404871 Na\n0.123676 0.573917 0.742830 Nb\n0.604548 0.578120 0.742042 Nb\n0.322361 0.413190 0.744853 Nb\n0.346025 0.917688 0.742130 Nb\n0.001492 0.998125 0.995736 W\n0.012646 0.001205 0.501242 W\n0.000953 0.495446 0.997012 W\n0.015175 0.503946 0.503072 W\n0.499426 0.996810 0.993770 W\n0.514034 0.008389 0.508644 W\n0.498459 0.496610 0.993425 W\n0.516730 0.502836 0.508375 W\n0.251914 0.248109 0.997254 W\n0.262068 0.256332 0.506342 W\n0.248476 0.744832 0.992388 W\n0.265740 0.752733 0.506079 W\n0.749301 0.244378 0.993338 W\n0.764515 0.250111 0.502596 W\n0.750779 0.745847 0.993159 W\n0.765771 0.753966 0.507567 W\n0.106846 0.104971 0.260323 W\n0.069838 0.121772 0.747112 W\n0.099730 0.595084 0.257792 W\n0.598142 0.103606 0.255754 W\n0.596218 0.085871 0.745412 W\n0.597094 0.604857 0.250931 W\n0.349135 0.400305 0.261242 W\n0.364607 0.894035 0.249629 W\n0.851505 0.405070 0.251146 W\n0.876115 0.392751 0.743291 W\n0.856234 0.906422 0.249357 W\n0.838460 0.913636 0.743732 W\n0.127221 0.127813 0.487858 O\n0.118717 0.120842 0.986387 O\n0.132455 0.620650 0.488889 O\n0.118996 0.611898 0.980303 O\n0.629186 0.126947 0.492211 O\n0.616078 0.111147 0.975133 O\n0.634371 0.625171 0.498929 O\n0.618949 0.616047 0.981058 O\n0.130318 0.377875 0.005951 O\n0.148959 0.391075 0.521292 O\n0.127617 0.873153 0.000953 O\n0.144586 0.880823 0.517958 O\n0.623792 0.370013 0.997364 O\n0.652016 0.389013 0.527373 O\n0.628661 0.874112 0.997265 O\n0.648395 0.889053 0.527862 O\n0.384398 0.130188 0.498941 O\n0.372746 0.117868 0.985670 O\n0.383290 0.619626 0.496585 O\n0.367301 0.614723 0.982512 O\n0.880568 0.119426 0.483646 O\n0.869218 0.115967 0.983551 O\n0.885154 0.623414 0.493897 O\n0.870139 0.615894 0.984551 O\n0.378544 0.377720 0.002559 O\n0.401814 0.390201 0.528962 O\n0.377675 0.875291 0.002086 O\n0.400176 0.891837 0.529614 O\n0.881592 0.376853 0.008701 O\n0.899775 0.385012 0.520746 O\n0.875769 0.875427 0.000382 O\n0.896259 0.882687 0.519986 O\n0.066463 0.077802 0.135718 O\n0.079706 0.096381 0.632695 O\n0.068250 0.586265 0.140632 O\n0.095134 0.609238 0.642120 O\n0.569403 0.076073 0.132756 O\n0.592783 0.117638 0.643870 O\n0.574117 0.582976 0.130718 O\n0.591457 0.619076 0.646559 O\n0.448808 0.394515 0.373007 O\n0.419201 0.408278 0.852911 O\n0.442163 0.926601 0.373564 O\n0.429578 0.909078 0.851067 O\n0.953904 0.402451 0.365920 O\n0.937228 0.394635 0.861176 O\n0.949639 0.901225 0.364817 O\n0.937117 0.912320 0.856989 O\n0.318838 0.306090 0.138171 O\n0.314242 0.288093 0.643244 O\n0.315113 0.798322 0.130623 O\n0.344537 0.784209 0.645803 O\n0.819686 0.294409 0.135625 O\n0.842120 0.263641 0.634723 O\n0.823889 0.796768 0.134289 O\n0.844205 0.782771 0.644867 O\n0.207285 0.226035 0.369055 O\n0.194244 0.200663 0.861613 O\n0.210366 0.706703 0.368452 O\n0.187490 0.695033 0.850865 O\n0.701691 0.215082 0.365949 O\n0.697203 0.199773 0.855815 O\n0.699804 0.704057 0.369174 O\n0.680969 0.699101 0.849518 O\n0.449129 0.072187 0.273120 O\n0.420053 0.065865 0.742435 O\n0.446514 0.536707 0.253205 O\n0.443711 0.530651 0.735034 O\n0.954441 0.071013 0.276425 O\n0.904886 0.075870 0.748348 O\n0.944476 0.567845 0.272134 O\n0.946804 0.535095 0.733196 O\n0.195211 0.450166 0.274082 O\n0.150269 0.404158 0.745475 O\n0.203670 0.959807 0.246391 O\n0.185323 0.935367 0.732190 O\n0.692864 0.454683 0.250233 O\n0.701796 0.447269 0.734849 O\n0.698189 0.959157 0.246395 O\n0.665808 0.929806 0.746652 O\n",
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"elements": [
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"Na",
"Nb",
"W",
"O"
],
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"volume_molar": 8.876070056182986,
"formula_full": "K16 Na16 Nb4 W28 O80",
"formula_reduced": "K4Na4NbW7O20",
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"energy": -1113.5872885,
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"updated_at": "2021-11-28T01:34:38.975000Z",
"spacegroup": 1
},
{
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"created_at": "2022-09-04T14:44:23.536334Z",
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"updated_at": "2021-11-28T01:36:38.162000Z",
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},
{
"id": "mp-1203655",
"created_at": "2022-09-04T14:43:19.266035Z",
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{
"id": "mp-1099762",
"created_at": "2022-09-04T14:46:05.610718Z",
"structure_string": "Sr20 Ca12 Ti12 Mn20 O80\n1.0\n-0.008374 -0.025774 11.109796\n11.300359 0.006719 -0.008596\n-5.637269 15.767591 -5.585675\nSr Ca Ti Mn O\n20 12 12 20 80\ndirect\n0.306358 0.062371 0.610370 Sr\n0.303132 0.558098 0.610789 Sr\n0.809457 0.062711 0.610110 Sr\n0.813835 0.561830 0.612349 Sr\n0.191732 0.433722 0.384640 Sr\n0.195695 0.439238 0.891969 Sr\n0.697401 0.437433 0.384967 Sr\n0.697601 0.934507 0.384130 Sr\n0.695559 0.937706 0.888925 Sr\n0.061426 0.300178 0.611223 Sr\n0.059910 0.802229 0.613122 Sr\n0.558545 0.300291 0.612180 Sr\n0.560926 0.801978 0.612483 Sr\n0.442641 0.199769 0.384553 Sr\n0.443051 0.202110 0.889599 Sr\n0.446565 0.697536 0.384074 Sr\n0.445383 0.700148 0.889534 Sr\n0.947658 0.198074 0.385196 Sr\n0.949901 0.205022 0.892063 Sr\n0.944441 0.698116 0.383364 Sr\n0.300261 0.069187 0.109692 Ca\n0.299173 0.561732 0.111458 Ca\n0.801994 0.067439 0.107518 Ca\n0.805410 0.566952 0.109368 Ca\n0.184473 0.935776 0.387126 Ca\n0.196598 0.935821 0.893914 Ca\n0.697644 0.439966 0.892774 Ca\n0.056890 0.292075 0.110233 Ca\n0.049852 0.797306 0.113062 Ca\n0.548066 0.289575 0.108395 Ca\n0.556007 0.795661 0.110171 Ca\n0.946899 0.705427 0.895083 Ca\n0.004147 0.000102 0.000265 Ti\n0.004650 0.501104 0.004595 Ti\n0.502629 0.999839 0.003832 Ti\n0.499672 0.999235 0.496389 Ti\n0.506465 0.506250 0.007105 Ti\n0.503125 0.499672 0.499745 Ti\n0.254237 0.753645 0.009490 Ti\n0.252027 0.749838 0.498141 Ti\n0.750705 0.254015 0.001128 Ti\n0.753941 0.249154 0.497123 Ti\n0.756189 0.749909 0.001803 Ti\n0.755635 0.749656 0.499152 Ti\n0.002768 0.997186 0.496424 Mn\n0.001485 0.499578 0.497094 Mn\n0.256583 0.249829 0.003395 Mn\n0.250807 0.247477 0.497761 Mn\n0.104684 0.090265 0.244433 Mn\n0.112266 0.094491 0.756059 Mn\n0.109945 0.592983 0.245609 Mn\n0.111336 0.603968 0.758356 Mn\n0.604543 0.091419 0.244754 Mn\n0.612771 0.101946 0.751199 Mn\n0.608771 0.589432 0.244334 Mn\n0.617766 0.594785 0.752837 Mn\n0.356843 0.401136 0.246306 Mn\n0.369175 0.405350 0.754069 Mn\n0.354961 0.904271 0.247498 Mn\n0.363320 0.904860 0.752824 Mn\n0.853495 0.399042 0.240455 Mn\n0.860218 0.408447 0.754540 Mn\n0.857374 0.902313 0.242233 Mn\n0.867010 0.903316 0.752424 Mn\n0.122121 0.114906 0.492216 O\n0.123725 0.110672 0.990729 O\n0.125329 0.622676 0.491377 O\n0.126112 0.626259 0.989129 O\n0.625138 0.123666 0.490902 O\n0.628493 0.126463 0.991626 O\n0.627022 0.623432 0.491838 O\n0.631341 0.619866 0.988720 O\n0.135452 0.387163 0.018103 O\n0.123763 0.380297 0.502543 O\n0.142373 0.879948 0.018786 O\n0.134512 0.875686 0.505838 O\n0.641502 0.382527 0.016255 O\n0.632772 0.377100 0.505339 O\n0.641620 0.878551 0.016764 O\n0.634827 0.875127 0.506048 O\n0.374005 0.109977 0.487457 O\n0.377146 0.110623 0.990624 O\n0.375648 0.620917 0.490838 O\n0.380181 0.620230 0.992449 O\n0.874526 0.121336 0.492976 O\n0.878379 0.118627 0.993376 O\n0.875984 0.621078 0.492393 O\n0.877670 0.618173 0.988500 O\n0.395255 0.390459 0.016451 O\n0.384794 0.383417 0.504837 O\n0.390607 0.884118 0.017189 O\n0.383973 0.877750 0.506281 O\n0.889431 0.390151 0.018776 O\n0.880454 0.379196 0.505016 O\n0.891646 0.883346 0.016103 O\n0.881960 0.877457 0.504832 O\n0.082277 0.089299 0.130086 O\n0.079526 0.081601 0.642135 O\n0.082860 0.602124 0.126557 O\n0.075211 0.589888 0.644146 O\n0.586418 0.094071 0.124742 O\n0.574023 0.081908 0.624292 O\n0.589470 0.598194 0.125604 O\n0.577636 0.581118 0.626725 O\n0.446331 0.421061 0.371930 O\n0.454026 0.417766 0.874303 O\n0.450983 0.916209 0.371441 O\n0.456127 0.914305 0.878310 O\n0.930195 0.417172 0.355500 O\n0.952039 0.416337 0.878268 O\n0.947976 0.910221 0.361360 O\n0.955180 0.905604 0.878034 O\n0.329463 0.281784 0.126358 O\n0.324228 0.305200 0.636480 O\n0.331003 0.777683 0.126935 O\n0.322118 0.794053 0.626574 O\n0.832319 0.285418 0.127249 O\n0.822697 0.301171 0.628261 O\n0.835413 0.778327 0.124366 O\n0.826180 0.795069 0.626664 O\n0.181694 0.193130 0.359471 O\n0.193742 0.208720 0.873351 O\n0.194868 0.709520 0.371326 O\n0.199665 0.715672 0.874971 O\n0.693545 0.202706 0.371601 O\n0.703932 0.221745 0.879431 O\n0.695051 0.699377 0.370028 O\n0.708165 0.713463 0.876440 O\n0.415347 0.071072 0.239034 O\n0.429964 0.074072 0.752400 O\n0.422035 0.566300 0.238745 O\n0.434828 0.566882 0.751498 O\n0.923406 0.072338 0.237531 O\n0.935785 0.075391 0.753122 O\n0.921678 0.558617 0.238136 O\n0.936318 0.584925 0.762065 O\n0.169045 0.418415 0.239898 O\n0.188986 0.443880 0.755218 O\n0.168637 0.924960 0.248120 O\n0.183036 0.934633 0.762371 O\n0.672425 0.412730 0.236789 O\n0.677597 0.424529 0.759587 O\n0.670055 0.919572 0.238958 O\n0.686709 0.936081 0.753472 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.353324069626361,
"density_atomic": 0.07278869856420354,
"volume": 1978.3290928465256,
"volume_molar": 8.273455740781172,
"formula_full": "Sr20 Ca12 Ti12 Mn20 O80",
"formula_reduced": "Sr5Ca3Ti3Mn5O20",
"formula_anonymous": "A3B3C5D5E20",
"energy": -1156.8565107099998,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1068.53651071,
"band_gap": 0.1095000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 91.6568069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.074000Z",
"spacegroup": 1
},
{
"id": "mp-1076179",
"created_at": "2022-09-04T14:47:27.266925Z",
"structure_string": "La24 Sm8 V12 Cr20 O80\n1.0\n-0.013113 -0.008993 11.041624\n11.369608 -0.003245 -0.014325\n-5.683124 16.063270 -5.526755\nLa Sm V Cr O\n24 8 12 20 80\ndirect\n0.313481 0.061325 0.621831 La\n0.305383 0.560798 0.622439 La\n0.811046 0.062699 0.622372 La\n0.814745 0.558765 0.620163 La\n0.197919 0.438053 0.384556 La\n0.183165 0.438427 0.876720 La\n0.193207 0.937747 0.381656 La\n0.688787 0.436575 0.380405 La\n0.694031 0.939747 0.383055 La\n0.689165 0.939210 0.878665 La\n0.061207 0.304619 0.116901 La\n0.061530 0.305636 0.619580 La\n0.062399 0.813308 0.620746 La\n0.558273 0.307865 0.120211 La\n0.559714 0.312250 0.624369 La\n0.556785 0.813735 0.119292 La\n0.560743 0.810483 0.622173 La\n0.442628 0.190770 0.381170 La\n0.439333 0.188437 0.877664 La\n0.441432 0.691935 0.379684 La\n0.430270 0.684557 0.877184 La\n0.938014 0.191520 0.377206 La\n0.934040 0.184437 0.876243 La\n0.938068 0.690171 0.377252 La\n0.298841 0.058166 0.114891 Sm\n0.304305 0.559791 0.115631 Sm\n0.804866 0.060725 0.114387 Sm\n0.806173 0.564111 0.117534 Sm\n0.190706 0.941125 0.883863 Sm\n0.691277 0.441016 0.884014 Sm\n0.055666 0.804071 0.116108 Sm\n0.943583 0.695276 0.884573 Sm\n0.119635 0.130041 0.751801 V\n0.112720 0.632389 0.751412 V\n0.608767 0.130687 0.248568 V\n0.616103 0.128947 0.751130 V\n0.612240 0.626719 0.247823 V\n0.609763 0.622900 0.752158 V\n0.367318 0.375440 0.248417 V\n0.363636 0.367414 0.751245 V\n0.361984 0.866093 0.751561 V\n0.855324 0.380846 0.248073 V\n0.863383 0.373548 0.751992 V\n0.854270 0.883245 0.247949 V\n0.004329 0.000224 0.000779 Cr\n0.003598 0.999676 0.498933 Cr\n0.003947 0.499360 0.000149 Cr\n0.002117 0.500625 0.498030 Cr\n0.503215 0.000770 0.001115 Cr\n0.503650 0.000147 0.499865 Cr\n0.504226 0.500657 0.000934 Cr\n0.504800 0.501213 0.501890 Cr\n0.253737 0.250546 0.000071 Cr\n0.252955 0.249880 0.500105 Cr\n0.253607 0.749764 0.001624 Cr\n0.253503 0.749620 0.499765 Cr\n0.753441 0.253863 0.001925 Cr\n0.753366 0.249585 0.499983 Cr\n0.754331 0.751062 0.999999 Cr\n0.752612 0.748237 0.499010 Cr\n0.122492 0.122359 0.249779 Cr\n0.121126 0.623580 0.248109 Cr\n0.369948 0.869871 0.247654 Cr\n0.879628 0.863779 0.748998 Cr\n0.113952 0.115654 0.475318 O\n0.116072 0.112764 0.971662 O\n0.114753 0.615472 0.474935 O\n0.112729 0.613321 0.972786 O\n0.615488 0.113045 0.474377 O\n0.614321 0.115533 0.975859 O\n0.614417 0.611962 0.473741 O\n0.614489 0.610448 0.971363 O\n0.142540 0.387024 0.026112 O\n0.139251 0.387834 0.523701 O\n0.141659 0.879540 0.028523 O\n0.140109 0.885818 0.522124 O\n0.642405 0.391664 0.030782 O\n0.638896 0.384162 0.522763 O\n0.640247 0.889026 0.026206 O\n0.639301 0.884096 0.523558 O\n0.366376 0.112612 0.476513 O\n0.362933 0.109405 0.975604 O\n0.369338 0.614893 0.478639 O\n0.363890 0.608272 0.974149 O\n0.866680 0.112244 0.476462 O\n0.861958 0.116037 0.976168 O\n0.862760 0.609138 0.471405 O\n0.866413 0.606672 0.973555 O\n0.391046 0.394694 0.031270 O\n0.389521 0.391313 0.526068 O\n0.387055 0.895740 0.029016 O\n0.390256 0.887578 0.523728 O\n0.889207 0.397813 0.030254 O\n0.889296 0.387231 0.521871 O\n0.893298 0.895832 0.031703 O\n0.888978 0.886581 0.521975 O\n0.091522 0.105413 0.129462 O\n0.069684 0.098267 0.623022 O\n0.088491 0.605049 0.124056 O\n0.060803 0.604568 0.622758 O\n0.583630 0.101876 0.123368 O\n0.569805 0.101448 0.622912 O\n0.579274 0.608791 0.123251 O\n0.580741 0.602176 0.626427 O\n0.439028 0.397537 0.375873 O\n0.455347 0.396335 0.878286 O\n0.441574 0.899033 0.373380 O\n0.445278 0.894196 0.879130 O\n0.951291 0.399038 0.372789 O\n0.947091 0.393141 0.878164 O\n0.947058 0.899779 0.373265 O\n0.958411 0.891720 0.871871 O\n0.316699 0.264538 0.123059 O\n0.318525 0.271161 0.622991 O\n0.326215 0.765473 0.124724 O\n0.316434 0.771353 0.622828 O\n0.828551 0.268960 0.126294 O\n0.821017 0.274408 0.623923 O\n0.855800 0.769305 0.136943 O\n0.821272 0.769666 0.623221 O\n0.196239 0.223688 0.374972 O\n0.203934 0.233700 0.878532 O\n0.198927 0.725416 0.374391 O\n0.197159 0.734873 0.878842 O\n0.697498 0.225937 0.376268 O\n0.695417 0.235788 0.878680 O\n0.690805 0.727301 0.375431 O\n0.724686 0.730266 0.863575 O\n0.422910 0.061484 0.243717 O\n0.443190 0.037779 0.749809 O\n0.428419 0.550494 0.243278 O\n0.437856 0.538474 0.747216 O\n0.923363 0.056898 0.243044 O\n0.944351 0.048787 0.748289 O\n0.923656 0.554776 0.243794 O\n0.937447 0.554600 0.757162 O\n0.182804 0.434902 0.250891 O\n0.191380 0.459835 0.748887 O\n0.173938 0.928942 0.246279 O\n0.190123 0.952863 0.757098 O\n0.682575 0.454817 0.251551 O\n0.688845 0.452852 0.757114 O\n0.678978 0.955122 0.252742 O\n0.697774 0.953319 0.750867 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"La",
"Sm",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-La-O-Sm-V",
"density": 6.151695678087466,
"density_atomic": 0.07143590180680427,
"volume": 2015.793128634991,
"volume_molar": 8.43013191922271,
"formula_full": "La24 Sm8 V12 Cr20 O80",
"formula_reduced": "La6Sm2V3Cr5O20",
"formula_anonymous": "A2B3C5D6E20",
"energy": -1265.14322037,
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"formation_energy": null,
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"energy_uncorrected": -1149.80322037,
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"total_magnetization": 114.3377581,
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"updated_at": "2021-11-28T01:38:10.143000Z",
"spacegroup": 1
},
{
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"created_at": "2022-09-04T14:41:03.655300Z",
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"updated_at": "2021-11-28T01:35:11.194000Z",
"spacegroup": 228
},
{
"id": "mp-24079",
"created_at": "2022-09-04T14:42:22.000140Z",
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"elements": [
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"H",
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],
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"density": 2.890885267349271,
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"formula_full": "Mg32 P16 H16 O80",
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}
]
}