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{
"id": "mp-752519",
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"structure_string": "Mn5 O3 F5\n1.0\n3.149969 5.489059 0.000000\n-3.149969 5.489059 0.000000\n0.000000 3.322577 5.225476\nMn O F\n5 3 5\ndirect\n0.374630 0.374630 0.875225 Mn\n0.726959 0.726959 0.768351 Mn\n0.862784 0.384120 0.363828 Mn\n0.384120 0.862784 0.363828 Mn\n0.011506 0.011506 0.009528 Mn\n0.605778 0.605778 0.610940 O\n0.143031 0.143031 0.145138 O\n0.632309 0.632309 0.143780 O\n0.634232 0.123225 0.632416 F\n0.123225 0.634232 0.632416 F\n0.114204 0.114204 0.610772 F\n0.620954 0.121545 0.121963 F\n0.121545 0.620954 0.121963 F\n",
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{
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"structure_string": "Eu12 Mg20 Si20\n1.0\n4.478247 0.000000 0.000000\n0.000000 14.224976 0.000000\n0.000000 0.000000 18.136320\nEu Mg Si\n12 20 20\ndirect\n0.250000 0.412389 0.653017 Eu\n0.250000 0.912389 0.846983 Eu\n0.750000 0.587611 0.346983 Eu\n0.750000 0.087611 0.153017 Eu\n0.250000 0.208197 0.484167 Eu\n0.250000 0.708197 0.015833 Eu\n0.750000 0.791803 0.515833 Eu\n0.750000 0.291803 0.984167 Eu\n0.250000 0.136728 0.691991 Eu\n0.250000 0.636728 0.808009 Eu\n0.750000 0.863272 0.308009 Eu\n0.750000 0.363272 0.191991 Eu\n0.250000 0.446594 0.456841 Mg\n0.250000 0.946594 0.043159 Mg\n0.750000 0.553406 0.543159 Mg\n0.750000 0.053406 0.956841 Mg\n0.250000 0.164647 0.870970 Mg\n0.250000 0.664647 0.629030 Mg\n0.750000 0.835353 0.129030 Mg\n0.750000 0.335353 0.370970 Mg\n0.250000 0.978388 0.560976 Mg\n0.250000 0.478388 0.939024 Mg\n0.750000 0.021612 0.439024 Mg\n0.750000 0.521612 0.060976 Mg\n0.250000 0.034609 0.310579 Mg\n0.250000 0.534609 0.189421 Mg\n0.750000 0.965391 0.689421 Mg\n0.750000 0.465391 0.810579 Mg\n0.250000 0.232831 0.271064 Mg\n0.250000 0.732831 0.228936 Mg\n0.750000 0.767169 0.728936 Mg\n0.750000 0.267169 0.771064 Mg\n0.250000 0.134350 0.018410 Si\n0.250000 0.634350 0.481590 Si\n0.750000 0.865650 0.981590 Si\n0.750000 0.365650 0.518410 Si\n0.250000 0.351655 0.825875 Si\n0.250000 0.851655 0.674125 Si\n0.750000 0.648345 0.174125 Si\n0.750000 0.148345 0.325875 Si\n0.250000 0.746287 0.384332 Si\n0.250000 0.246287 0.115668 Si\n0.750000 0.253713 0.615668 Si\n0.750000 0.753713 0.884332 Si\n0.250000 0.418698 0.309716 Si\n0.250000 0.918698 0.190284 Si\n0.750000 0.581302 0.690284 Si\n0.750000 0.081302 0.809716 Si\n0.250000 0.908014 0.424805 Si\n0.250000 0.408014 0.075195 Si\n0.750000 0.091986 0.575195 Si\n0.750000 0.591986 0.924805 Si\n",
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"elements": [
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"volume": 1155.3371967224489,
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"formula_full": "Eu12 Mg20 Si20",
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"energy": -283.49240233,
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},
{
"id": "mp-1201532",
"created_at": "2022-09-04T14:42:40.599396Z",
"structure_string": "Eu12 Mg20 Ge20\n1.0\n4.528042 0.000000 0.000000\n0.000000 14.536226 0.000000\n0.000000 0.000000 18.432766\nEu Mg Ge\n12 20 20\ndirect\n0.250000 0.412263 0.653637 Eu\n0.250000 0.912263 0.846363 Eu\n0.750000 0.587737 0.346363 Eu\n0.750000 0.087737 0.153637 Eu\n0.250000 0.208408 0.487361 Eu\n0.250000 0.708408 0.012639 Eu\n0.750000 0.791592 0.512639 Eu\n0.750000 0.291592 0.987361 Eu\n0.250000 0.135814 0.692006 Eu\n0.250000 0.635814 0.807994 Eu\n0.750000 0.864186 0.307994 Eu\n0.750000 0.364186 0.192006 Eu\n0.250000 0.447099 0.456518 Mg\n0.250000 0.947099 0.043482 Mg\n0.750000 0.552901 0.543482 Mg\n0.750000 0.052901 0.956518 Mg\n0.250000 0.164587 0.871060 Mg\n0.250000 0.664587 0.628940 Mg\n0.750000 0.835413 0.128940 Mg\n0.750000 0.335413 0.371060 Mg\n0.250000 0.976881 0.561510 Mg\n0.250000 0.476881 0.938490 Mg\n0.750000 0.023119 0.438490 Mg\n0.750000 0.523119 0.061510 Mg\n0.250000 0.037060 0.310559 Mg\n0.250000 0.537060 0.189441 Mg\n0.750000 0.962940 0.689441 Mg\n0.750000 0.462940 0.810559 Mg\n0.250000 0.234042 0.274110 Mg\n0.250000 0.734042 0.225890 Mg\n0.750000 0.765958 0.725890 Mg\n0.750000 0.265958 0.774110 Mg\n0.250000 0.132014 0.016077 Ge\n0.250000 0.632014 0.483923 Ge\n0.750000 0.867986 0.983923 Ge\n0.750000 0.367986 0.516077 Ge\n0.250000 0.350313 0.825684 Ge\n0.250000 0.850313 0.674316 Ge\n0.750000 0.649687 0.174316 Ge\n0.750000 0.149687 0.325684 Ge\n0.250000 0.743623 0.378865 Ge\n0.250000 0.243623 0.121135 Ge\n0.750000 0.256377 0.621135 Ge\n0.750000 0.756377 0.878865 Ge\n0.250000 0.421447 0.309448 Ge\n0.250000 0.921447 0.190552 Ge\n0.750000 0.578553 0.690552 Ge\n0.750000 0.078553 0.809448 Ge\n0.250000 0.912966 0.424661 Ge\n0.250000 0.412966 0.075339 Ge\n0.750000 0.087034 0.575339 Ge\n0.750000 0.587034 0.924661 Ge\n",
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"volume": 1213.2564891814932,
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"formula_full": "Eu12 Mg20 Ge20",
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"updated_at": "2021-11-28T01:36:03.052000Z",
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},
{
"id": "mp-1847727",
"created_at": "2022-09-04T14:46:36.384190Z",
"structure_string": "Sb20 S12 O20\n1.0\n5.739531 0.007486 1.040161\n2.104936 12.511472 4.902311\n-0.025501 0.433311 16.765567\nSb S O\n20 12 20\ndirect\n0.031389 0.820164 0.085973 Sb\n0.939856 0.679454 0.414144 Sb\n0.966358 0.179670 0.913832 Sb\n0.061030 0.321424 0.586263 Sb\n0.521546 0.023944 0.085347 Sb\n0.633227 0.476907 0.414094 Sb\n0.479099 0.976202 0.914688 Sb\n0.371739 0.523922 0.585491 Sb\n0.206485 0.563010 0.258610 Sb\n0.025505 0.936640 0.241523 Sb\n0.796719 0.436821 0.742080 Sb\n0.974644 0.063727 0.758102 Sb\n0.469603 0.873894 0.455771 Sb\n0.793399 0.627775 0.044420 Sb\n0.529937 0.127811 0.543681 Sb\n0.202040 0.372530 0.955174 Sb\n0.689846 0.330770 0.132884 Sb\n0.153632 0.170584 0.367194 Sb\n0.306729 0.669353 0.866854 Sb\n0.844266 0.830662 0.633576 Sb\n0.232936 0.560731 0.024520 S\n0.823375 0.939090 0.475729 S\n0.762543 0.438505 0.975321 S\n0.178804 0.061051 0.524836 S\n0.412555 0.032120 0.314668 S\n0.757017 0.469414 0.185288 S\n0.590531 0.970169 0.685877 S\n0.240329 0.530849 0.814067 S\n0.428326 0.281544 0.365698 S\n0.072459 0.218356 0.137243 S\n0.566031 0.721839 0.635515 S\n0.925366 0.782242 0.862744 S\n0.641475 0.568095 0.482741 O\n0.693706 0.933135 0.016427 O\n0.361239 0.433323 0.516468 O\n0.308833 0.067610 0.983232 O\n0.647772 0.791389 0.385349 O\n0.821549 0.709641 0.115020 O\n0.352447 0.209371 0.615388 O\n0.175019 0.291351 0.884124 O\n0.396186 0.577322 0.338946 O\n0.312099 0.922543 0.161175 O\n0.610809 0.423823 0.659808 O\n0.689332 0.077299 0.839158 O\n0.243490 0.704128 0.171294 O\n0.119516 0.794748 0.327397 O\n0.758077 0.294744 0.827253 O\n0.882226 0.205712 0.672655 O\n0.846915 0.897641 0.166603 O\n0.911927 0.602628 0.333446 O\n0.152486 0.102041 0.833616 O\n0.090233 0.396746 0.667348 O\n",
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{
"id": "mp-1229300",
"created_at": "2022-09-04T14:40:37.787343Z",
"structure_string": "Ca3 La32 Os5 I60\n1.0\n8.153780 4.704830 3.736005\n-8.162244 4.710559 3.747262\n-0.013284 -28.218532 33.639919\nCa La Os I\n3 32 5 60\ndirect\n0.299926 0.299871 0.099946 Ca\n0.900000 0.900000 0.300000 Ca\n0.500074 0.500129 0.500054 Ca\n0.979025 0.908301 0.061482 La\n0.578167 0.508101 0.261438 La\n0.178192 0.108131 0.461473 La\n0.778363 0.707687 0.661372 La\n0.378642 0.308081 0.861341 La\n0.990478 0.267490 0.020457 La\n0.589630 0.867517 0.220387 La\n0.189659 0.467524 0.420456 La\n0.789885 0.067305 0.620209 La\n0.390280 0.666374 0.820228 La\n0.295110 0.089292 0.006324 La\n0.894858 0.688554 0.205990 La\n0.494835 0.288558 0.406075 La\n0.094989 0.888822 0.606067 La\n0.694301 0.488960 0.806172 La\n0.621808 0.691869 0.138527 La\n0.221833 0.291899 0.338562 La\n0.820975 0.891699 0.538518 La\n0.421358 0.491919 0.738659 La\n0.021637 0.092313 0.938628 La\n0.610341 0.332476 0.179544 La\n0.210370 0.932483 0.379613 La\n0.809522 0.532510 0.579543 La\n0.409720 0.133626 0.779772 La\n0.010115 0.732695 0.979791 La\n0.305165 0.511442 0.193925 La\n0.905142 0.111446 0.394010 La\n0.504890 0.710708 0.593676 La\n0.105699 0.311040 0.793828 La\n0.705011 0.911178 0.993933 La\n0.100207 0.100283 0.700071 La\n0.699793 0.699717 0.899929 La\n0.000119 0.000069 0.000008 Os\n0.599996 0.599996 0.199985 Os\n0.200004 0.200004 0.400015 Os\n0.799881 0.799931 0.599992 Os\n0.400000 0.400000 0.800000 Os\n0.973458 0.202770 0.093666 I\n0.573462 0.802656 0.293644 I\n0.173501 0.402732 0.493692 I\n0.770546 0.003100 0.694141 I\n0.370463 0.603189 0.894195 I\n0.325970 0.404202 0.032137 I\n0.925824 0.004001 0.232161 I\n0.525868 0.604047 0.432213 I\n0.127810 0.207101 0.631798 I\n0.728010 0.807358 0.831800 I\n0.312317 0.004753 0.077998 I\n0.912206 0.604746 0.277991 I\n0.512257 0.204784 0.478040 I\n0.114108 0.802303 0.678265 I\n0.714307 0.402240 0.878315 I\n0.626499 0.397268 0.106308 I\n0.226538 0.997344 0.306356 I\n0.826542 0.597230 0.506334 I\n0.429537 0.196811 0.705805 I\n0.029454 0.796900 0.905859 I\n0.274132 0.195953 0.167787 I\n0.874176 0.795999 0.367839 I\n0.474030 0.395798 0.567863 I\n0.071990 0.992642 0.768200 I\n0.672190 0.592899 0.968202 I\n0.287743 0.595216 0.121960 I\n0.887794 0.195254 0.322009 I\n0.487683 0.795247 0.522002 I\n0.085693 0.397760 0.721685 I\n0.685892 0.997697 0.921735 I\n0.643522 0.799338 0.062978 I\n0.243603 0.399428 0.263016 I\n0.843542 0.999389 0.463067 I\n0.443233 0.599194 0.663110 I\n0.043018 0.198988 0.863130 I\n0.617554 0.007349 0.153923 I\n0.217565 0.607328 0.353964 I\n0.817694 0.207460 0.554011 I\n0.417535 0.807939 0.753883 I\n0.017450 0.407710 0.953887 I\n0.945122 0.399650 0.185076 I\n0.545093 -0.000329 0.385115 I\n0.145278 0.599574 0.585154 I\n0.745688 0.199379 0.785056 I\n0.345438 0.799516 0.985020 I\n0.956458 0.800611 0.136933 I\n0.556397 0.400572 0.336984 I\n0.156478 0.000662 0.537022 I\n0.756982 0.601012 0.736870 I\n0.356767 0.200806 0.936890 I\n0.982306 0.592540 0.045989 I\n0.582435 0.192672 0.246036 I\n0.182446 0.792651 0.446077 I\n0.782550 0.392290 0.646113 I\n0.382465 0.992061 0.846117 I\n0.654722 0.200426 0.014846 I\n0.254907 0.800329 0.214885 I\n0.854878 0.400350 0.414924 I\n0.454562 0.000484 0.614980 I\n0.054312 0.600621 0.814944 I\n",
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{
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