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{
"id": "mp-557230",
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"structure_string": "Na16 Cr8 Co8 F56\n1.0\n3.718301 6.391762 0.000000\n-3.718301 6.391762 0.000000\n0.000000 4.080567 24.484593\nNa Cr Co F\n16 8 8 56\ndirect\n0.791217 0.703809 0.251106 Na\n0.296191 0.208783 0.248894 Na\n0.133106 0.119157 0.122067 Na\n0.500000 0.500000 0.000000 Na\n0.216776 0.783224 0.750000 Na\n0.866894 0.880843 0.877933 Na\n0.880843 0.866894 0.377933 Na\n0.500000 0.000000 0.000000 Na\n0.119157 0.133106 0.622067 Na\n0.783224 0.216776 0.250000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.703809 0.791217 0.751106 Na\n0.500000 0.500000 0.500000 Na\n0.208783 0.296191 0.748894 Na\n0.000000 0.500000 0.500000 Na\n0.636400 0.110659 0.125493 Cr\n0.889341 0.363600 0.374507 Cr\n0.249821 0.750179 0.250000 Cr\n0.110659 0.636400 0.625493 Cr\n0.000000 0.500000 0.000000 Cr\n0.363600 0.889341 0.874507 Cr\n0.500000 0.000000 0.500000 Cr\n0.750179 0.249821 0.750000 Cr\n0.613476 0.631572 0.627533 Co\n0.368428 0.386524 0.872467 Co\n0.631572 0.613476 0.127533 Co\n0.387955 0.865357 0.374037 Co\n0.134643 0.612045 0.125963 Co\n0.612045 0.134643 0.625963 Co\n0.865357 0.387955 0.874037 Co\n0.386524 0.368428 0.372467 Co\n0.139730 0.023499 0.209714 F\n0.924063 0.539390 0.609553 F\n0.464366 0.091815 0.346705 F\n0.136793 0.581014 0.045564 F\n0.207897 0.129813 0.531880 F\n0.968982 0.361301 0.295465 F\n0.362914 0.814719 0.953946 F\n0.299695 0.338922 0.640730 F\n0.091815 0.464366 0.846705 F\n0.863207 0.418986 0.954436 F\n0.418986 0.863207 0.454436 F\n0.535634 0.908185 0.653295 F\n0.023499 0.139730 0.709714 F\n0.814719 0.362914 0.453946 F\n0.309002 0.641155 0.400179 F\n0.976501 0.860270 0.290286 F\n0.634596 0.527287 0.709556 F\n0.365404 0.472713 0.290444 F\n0.862755 0.363465 0.793635 F\n0.933964 0.924243 0.109729 F\n0.460610 0.075937 0.890447 F\n0.690998 0.358845 0.599821 F\n0.860270 0.976501 0.790286 F\n0.258630 0.415565 0.953554 F\n0.581014 0.136793 0.545564 F\n0.338922 0.299695 0.140730 F\n0.358845 0.690998 0.099821 F\n0.636535 0.137245 0.706365 F\n0.641155 0.309002 0.900179 F\n0.270930 0.699880 0.857865 F\n0.527287 0.634596 0.209556 F\n0.699880 0.270930 0.357865 F\n0.066036 0.075757 0.890271 F\n0.792103 0.870187 0.468120 F\n0.729070 0.300120 0.142135 F\n0.361301 0.968982 0.795465 F\n0.075757 0.066036 0.390271 F\n0.700305 0.661078 0.359270 F\n0.300120 0.729070 0.642135 F\n0.075937 0.460610 0.390447 F\n0.584435 0.741370 0.546446 F\n0.137245 0.636535 0.206365 F\n0.908185 0.535634 0.153295 F\n0.031018 0.638699 0.704535 F\n0.472713 0.365404 0.790444 F\n0.363465 0.862755 0.293635 F\n0.741370 0.584435 0.046446 F\n0.185281 0.637086 0.546054 F\n0.539390 0.924063 0.109553 F\n0.870187 0.792103 0.968120 F\n0.924243 0.933964 0.609729 F\n0.638699 0.031018 0.204535 F\n0.415565 0.258630 0.453554 F\n0.661078 0.700305 0.859270 F\n0.637086 0.185281 0.046054 F\n0.129813 0.207897 0.031880 F\n",
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"formula_full": "Na16 Cr8 Co8 F56",
"formula_reduced": "Na2CrCoF7",
"formula_anonymous": "ABC2D7",
"energy": -514.98287871,
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"updated_at": "2021-11-28T01:34:52.180000Z",
"spacegroup": 15
},
{
"id": "mp-1238576",
"created_at": "2022-09-04T14:40:16.521065Z",
"structure_string": "Li2 Mn2 P6 H20 O28\n1.0\n-7.507181 0.000000 0.000000\n-0.294294 -9.548816 0.000000\n2.494104 4.000350 9.099037\nLi Mn P H O\n2 2 6 20 28\ndirect\n0.971677 0.698657 0.375626 Li\n0.028323 0.301343 0.624374 Li\n0.559166 0.450417 0.722819 Mn\n0.440834 0.549583 0.277181 Mn\n0.016156 0.156398 0.864384 P\n0.983844 0.843602 0.135616 P\n0.149239 0.660909 0.885658 P\n0.850761 0.339091 0.114342 P\n0.083939 0.175393 0.286425 P\n0.916061 0.824607 0.713575 P\n0.561607 0.245011 0.017586 H\n0.438393 0.754989 0.982414 H\n0.487528 0.126528 0.597861 H\n0.512472 0.873472 0.402139 H\n0.208405 0.949487 0.641797 H\n0.791595 0.050513 0.358203 H\n0.604083 0.140741 0.493730 H\n0.395917 0.859259 0.506270 H\n0.298521 0.409100 0.460400 H\n0.701479 0.590900 0.539600 H\n0.715550 0.413124 0.445850 H\n0.284450 0.586876 0.554150 H\n0.712679 0.622593 0.155318 H\n0.287321 0.377407 0.844682 H\n0.351914 0.214946 0.763807 H\n0.648086 0.785054 0.236193 H\n0.655607 0.938598 0.967433 H\n0.344393 0.061402 0.032567 H\n0.594881 0.036502 0.250536 H\n0.405119 0.963498 0.749464 H\n0.894069 0.997860 0.819843 O\n0.105931 0.002140 0.180157 O\n0.120628 0.725366 0.047070 O\n0.879372 0.274634 0.952930 O\n0.993069 0.818179 0.271156 O\n0.006931 0.181821 0.728844 O\n0.802274 0.834863 0.031485 O\n0.197726 0.165137 0.968515 O\n0.934976 0.495786 0.209866 O\n0.065024 0.504214 0.790134 O\n0.365656 0.660316 0.908644 O\n0.634344 0.339684 0.091356 O\n0.745287 0.731736 0.689053 O\n0.254713 0.268264 0.310947 O\n0.989286 0.816982 0.586383 O\n0.010714 0.183018 0.413617 O\n0.092385 0.787606 0.824568 O\n0.907615 0.212394 0.175432 O\n0.387305 0.325332 0.802920 O\n0.612695 0.674668 0.197080 O\n0.563367 0.199207 0.585113 O\n0.436633 0.800793 0.414887 O\n0.319972 0.492064 0.564534 O\n0.680028 0.507936 0.435466 O\n0.660022 0.017462 0.337635 O\n0.339978 0.982538 0.662365 O\n0.451058 0.999453 0.054412 O\n0.548942 0.000547 0.945588 O\n",
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"formula_full": "Li2 Mn2 P6 H20 O28",
"formula_reduced": "LiMnP3(H5O7)2",
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"energy": -360.25790399,
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"updated_at": "2021-11-28T01:34:46.518000Z",
"spacegroup": 2
},
{
"id": "mp-1208344",
"created_at": "2022-09-04T14:40:16.540924Z",
"structure_string": "Ta10 Al6 C2\n1.0\n3.899676 -6.754437 0.000000\n3.899676 6.754437 0.000000\n0.000000 0.000000 5.353209\nTa Al C\n10 6 2\ndirect\n0.231658 0.000000 0.250000 Ta\n0.768342 0.000000 0.750000 Ta\n0.000000 0.231658 0.250000 Ta\n0.000000 0.768342 0.750000 Ta\n0.768342 0.768342 0.250000 Ta\n0.231658 0.231658 0.750000 Ta\n0.333333 0.666667 0.000000 Ta\n0.666667 0.333333 0.000000 Ta\n0.666667 0.333333 0.500000 Ta\n0.333333 0.666667 0.500000 Ta\n0.591977 0.000000 0.250000 Al\n0.408023 0.000000 0.750000 Al\n0.000000 0.591977 0.250000 Al\n0.000000 0.408023 0.750000 Al\n0.408023 0.408023 0.250000 Al\n0.591977 0.591977 0.750000 Al\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 18,
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],
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"formula_full": "Ta10 Al6 C2",
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"spacegroup": 193
},
{
"id": "mp-1076858",
"created_at": "2022-09-04T14:40:16.571431Z",
"structure_string": "Sr7 Ca1 Fe7 Co1 O24\n1.0\n5.513582 -5.514513 0.000000\n5.513582 5.514513 0.000000\n-0.001863 0.000000 7.798040\nSr Ca Fe Co O\n7 1 7 1 24\ndirect\n0.748665 0.251434 0.748665 Sr\n0.748599 0.251334 0.251334 Sr\n0.748665 0.748665 0.251434 Sr\n0.251334 0.251334 0.748599 Sr\n0.251204 0.251204 0.251204 Sr\n0.251434 0.748665 0.748665 Sr\n0.251334 0.748599 0.251334 Sr\n0.748827 0.748827 0.748827 Ca\n0.500495 0.999515 0.999515 Fe\n0.500488 0.999406 0.500488 Fe\n0.500488 0.500488 0.999406 Fe\n0.999521 0.999521 0.999521 Fe\n0.999515 0.999515 0.500495 Fe\n0.999515 0.500495 0.999515 Fe\n0.999406 0.500488 0.500488 Fe\n0.500450 0.500450 0.500450 Co\n0.748992 0.997808 0.997808 O\n0.750997 0.997748 0.502302 O\n0.750997 0.502302 0.997748 O\n0.745957 0.502414 0.502414 O\n0.251022 0.999728 0.999728 O\n0.248999 0.999776 0.500172 O\n0.248999 0.500172 0.999776 O\n0.254007 0.500097 0.500097 O\n0.500172 0.248999 0.999776 O\n0.500097 0.254007 0.500097 O\n0.502302 0.750997 0.997748 O\n0.502414 0.745957 0.502414 O\n0.999728 0.251022 0.999728 O\n0.999776 0.248999 0.500172 O\n0.997808 0.748992 0.997808 O\n0.997748 0.750997 0.502302 O\n0.502302 0.997748 0.750997 O\n0.500172 0.999776 0.248999 O\n0.502414 0.502414 0.745957 O\n0.500097 0.500097 0.254007 O\n0.997808 0.997808 0.748992 O\n0.999728 0.999728 0.251022 O\n0.997748 0.502302 0.750997 O\n0.999776 0.500172 0.248999 O\n",
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{
"id": "mp-554617",
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"structure_string": "Rb24 U20 V8 O92\n1.0\n14.556212 0.000000 0.000000\n0.000000 7.241065 0.000000\n0.000000 0.128304 25.237451\nRb U V O\n24 20 8 92\ndirect\n0.625233 0.498603 0.745450 Rb\n0.403441 0.008812 0.166911 Rb\n0.903441 0.491188 0.333089 Rb\n0.557009 0.015510 0.653820 Rb\n0.531967 0.505476 0.919025 Rb\n0.442991 0.984490 0.346180 Rb\n0.031967 0.994524 0.580975 Rb\n0.596559 0.991188 0.833089 Rb\n0.942991 0.515510 0.153820 Rb\n0.056105 0.996865 0.923603 Rb\n0.443895 0.496865 0.423603 Rb\n0.943895 0.003135 0.076397 Rb\n0.000000 0.500000 0.500000 Rb\n0.057009 0.484490 0.846180 Rb\n0.968033 0.005476 0.419025 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.874767 0.998603 0.245450 Rb\n0.096559 0.508812 0.666911 Rb\n0.374767 0.501397 0.254550 Rb\n0.468033 0.494524 0.080975 Rb\n0.500000 0.000000 0.000000 Rb\n0.556105 0.503135 0.576397 Rb\n0.125233 0.001397 0.754550 Rb\n0.270303 0.674722 0.543349 U\n0.226405 0.166757 0.462970 U\n0.273595 0.666757 0.962970 U\n0.812906 0.323052 0.619340 U\n0.770303 0.825278 0.956651 U\n0.830629 0.815163 0.680052 U\n0.801537 0.318859 0.896134 U\n0.229697 0.174722 0.043349 U\n0.698463 0.818859 0.396134 U\n0.687094 0.823052 0.119340 U\n0.187094 0.676948 0.380660 U\n0.729697 0.325278 0.456651 U\n0.330629 0.684837 0.819948 U\n0.726405 0.333243 0.037030 U\n0.312906 0.176948 0.880660 U\n0.773595 0.833243 0.537030 U\n0.198463 0.681141 0.103866 U\n0.669371 0.315163 0.180052 U\n0.301537 0.181141 0.603866 U\n0.169371 0.184837 0.319948 U\n0.139082 0.175095 0.165163 V\n0.387630 0.186344 0.756456 V\n0.360918 0.675095 0.665163 V\n0.612370 0.813656 0.243544 V\n0.860918 0.824905 0.834837 V\n0.112370 0.686344 0.256456 V\n0.639082 0.324905 0.334837 V\n0.887630 0.313656 0.743544 V\n0.458842 0.686547 0.823768 O\n0.605578 0.329618 0.476925 O\n0.192375 0.362750 0.395540 O\n0.541158 0.313453 0.176232 O\n0.846131 0.495852 0.701985 O\n0.394422 0.670382 0.523075 O\n0.653869 0.995852 0.201985 O\n0.189857 0.181958 0.858329 O\n0.313079 0.694393 0.727490 O\n0.813079 0.805607 0.772510 O\n0.847633 0.129271 0.704628 O\n0.316083 0.494641 0.892957 O\n0.737400 0.640587 0.469712 O\n0.225828 0.686325 0.462684 O\n0.652367 0.629271 0.204628 O\n0.810143 0.818042 0.141671 O\n0.061122 0.667897 0.396114 O\n0.689857 0.318042 0.641671 O\n0.816083 0.005359 0.607043 O\n0.650238 0.843731 0.559073 O\n0.331576 0.864461 0.623943 O\n0.024044 0.150567 0.169788 O\n0.648727 0.823831 0.931564 O\n0.795972 0.309363 0.187075 O\n0.686921 0.305607 0.272510 O\n0.691855 0.500899 0.374590 O\n0.807625 0.637250 0.604460 O\n0.995997 0.684220 0.252633 O\n0.681033 0.328438 0.871292 O\n0.318967 0.671562 0.128708 O\n0.181033 0.171562 0.628708 O\n0.425389 0.197028 0.584980 O\n0.204028 0.690637 0.812925 O\n0.152367 0.870729 0.295372 O\n0.735883 0.007224 0.466199 O\n0.764117 0.507224 0.966199 O\n0.004003 0.315780 0.747367 O\n0.262600 0.359413 0.530288 O\n0.041158 0.186547 0.323768 O\n0.074611 0.697028 0.084980 O\n0.351273 0.176169 0.068436 O\n0.105578 0.170382 0.023075 O\n0.308145 0.499101 0.625410 O\n0.346131 0.004148 0.798015 O\n0.925389 0.302972 0.915020 O\n0.975956 0.849433 0.830212 O\n0.725828 0.813675 0.037316 O\n0.658884 0.820074 0.306757 O\n0.341116 0.179926 0.693243 O\n0.849762 0.343731 0.059073 O\n0.683917 0.505359 0.107043 O\n0.274172 0.186325 0.962684 O\n0.704028 0.809363 0.687075 O\n0.938878 0.332103 0.603886 O\n0.841116 0.320074 0.806757 O\n0.186921 0.194393 0.227490 O\n0.153869 0.504148 0.298015 O\n0.396938 0.668999 0.985501 O\n0.958842 0.813453 0.676232 O\n0.524044 0.349433 0.330212 O\n0.894422 0.829618 0.976925 O\n0.692375 0.137250 0.104460 O\n0.191855 0.999101 0.125410 O\n0.561122 0.832103 0.103886 O\n0.504003 0.184220 0.752633 O\n0.762600 0.140587 0.969712 O\n0.438878 0.167897 0.896114 O\n0.808145 0.000899 0.874590 O\n0.349762 0.156269 0.440927 O\n0.495997 0.815780 0.247367 O\n0.295972 0.190637 0.312925 O\n0.574611 0.802972 0.415020 O\n0.774172 0.313675 0.537316 O\n0.310143 0.681958 0.358329 O\n0.168424 0.364461 0.123943 O\n0.347633 0.370729 0.795372 O\n0.158884 0.679926 0.193243 O\n0.896938 0.831001 0.514499 O\n0.183917 0.994641 0.392957 O\n0.307625 0.862750 0.895540 O\n0.148727 0.676169 0.568436 O\n0.237400 0.859413 0.030288 O\n0.851273 0.323831 0.431564 O\n0.264117 0.992776 0.533801 O\n0.831576 0.635539 0.876057 O\n0.475956 0.650567 0.669788 O\n0.668424 0.135539 0.376057 O\n0.150238 0.656269 0.940927 O\n0.235883 0.492776 0.033801 O\n0.103062 0.168999 0.485501 O\n0.818967 0.828438 0.371292 O\n0.603062 0.331001 0.014499 O\n",
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