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{
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{
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{
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"structure_string": "V8 O8 F8\n1.0\n4.721323 -0.007989 0.000051\n-0.007964 4.721313 -0.000004\n0.000139 -0.000012 12.509687\nV O F\n8 8 8\ndirect\n0.970499 0.970455 0.999990 V\n0.021779 0.038684 0.250010 V\n0.970445 0.970478 0.499982 V\n0.038671 0.021774 0.750000 V\n0.529993 0.470493 0.124450 V\n0.470498 0.529996 0.624434 V\n0.470498 0.529989 0.875563 V\n0.529987 0.470514 0.375572 V\n0.183295 0.816537 0.876391 O\n0.183274 0.816538 0.623621 O\n0.325233 0.309579 0.249990 O\n0.309584 0.325231 0.750003 O\n0.681664 0.681589 0.000006 O\n0.681590 0.681662 0.500008 O\n0.816529 0.183261 0.123618 O\n0.816551 0.183310 0.376388 O\n0.207390 0.790324 0.125968 F\n0.207284 0.790364 0.373999 F\n0.290984 0.290978 0.000005 F\n0.290986 0.290993 0.500004 F\n0.732034 0.690550 0.250000 F\n0.690555 0.732030 0.750005 F\n0.790326 0.207348 0.625983 F\n0.790354 0.207325 0.874012 F\n",
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{
"id": "mp-26164",
"created_at": "2022-09-04T14:46:59.829025Z",
"structure_string": "Cr9 P8 O32\n1.0\n9.180025 0.000000 0.000000\n-2.961547 8.129331 0.000000\n-2.023593 -2.390092 8.252755\nCr P O\n9 8 32\ndirect\n0.942703 0.694221 0.202174 Cr\n0.562861 0.122548 0.290417 Cr\n0.500000 0.500000 0.000000 Cr\n0.532304 0.295911 0.671580 Cr\n0.467696 0.704089 0.328420 Cr\n0.437139 0.877452 0.709583 Cr\n0.000000 0.000000 0.000000 Cr\n0.057297 0.305779 0.797826 Cr\n0.000000 0.500000 0.500000 Cr\n0.297156 0.964377 0.381410 P\n0.096896 0.385676 0.162576 P\n0.278705 0.473665 0.664711 P\n0.339148 0.125586 0.936121 P\n0.660852 0.874414 0.063879 P\n0.721295 0.526335 0.335289 P\n0.903104 0.614324 0.837424 P\n0.702844 0.035623 0.618590 P\n0.444394 0.266191 0.867659 O\n0.970231 0.505763 0.725236 O\n0.675099 0.050886 0.149426 O\n0.713588 0.099097 0.470074 O\n0.899623 0.668428 0.426275 O\n0.739557 0.366458 0.380904 O\n0.928271 0.789637 0.807675 O\n0.831706 0.859763 0.096667 O\n0.874421 0.077406 0.725407 O\n0.125579 0.922594 0.274593 O\n0.005623 0.652713 0.016539 O\n0.029769 0.494237 0.274764 O\n0.324901 0.949114 0.850574 O\n0.286412 0.900903 0.529926 O\n0.100377 0.331572 0.573725 O\n0.260443 0.633542 0.619096 O\n0.071729 0.210363 0.192325 O\n0.168294 0.140237 0.903333 O\n0.289535 0.485117 0.847532 O\n0.710465 0.514883 0.152468 O\n0.276928 0.500089 0.189505 O\n0.581801 0.827050 0.879479 O\n0.417185 0.443136 0.621100 O\n0.583253 0.840972 0.567033 O\n0.390821 0.887175 0.279378 O\n0.555606 0.733809 0.132341 O\n0.416747 0.159028 0.432967 O\n0.582815 0.556864 0.378900 O\n0.418199 0.172950 0.120521 O\n0.723072 0.499911 0.810495 O\n0.609179 0.112825 0.720622 O\n0.994377 0.347287 0.983461 O\n",
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"updated_at": "2021-11-28T01:37:51.090000Z",
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{
"id": "mp-1227625",
"created_at": "2022-09-04T14:46:59.829436Z",
"structure_string": "Ca3 Tl4 O9\n1.0\n1.696218 5.644775 0.000000\n-1.696218 5.644775 0.000000\n0.000000 2.752115 12.142262\nCa Tl O\n3 4 9\ndirect\n0.451611 0.451611 0.289965 Ca\n0.549079 0.549079 0.710154 Ca\n0.759824 0.759824 0.871493 Ca\n0.849948 0.849948 0.564173 Tl\n0.150966 0.150966 0.438384 Tl\n0.998727 0.998727 0.996787 Tl\n0.237509 0.237509 0.126691 Tl\n0.809572 0.809572 0.397934 O\n0.193327 0.193327 0.603309 O\n0.907521 0.907521 0.715764 O\n0.097342 0.097342 0.279844 O\n0.874988 0.874988 0.161165 O\n0.123020 0.123020 0.838523 O\n0.627881 0.627881 0.058802 O\n0.365434 0.365434 0.953756 O\n0.503250 0.503250 0.493256 O\n",
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"elements": [
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],
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"density": 7.725433173597779,
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{
"id": "mp-1176910",
"created_at": "2022-09-04T14:46:59.830426Z",
"structure_string": "Li14 Mn8 P16 O56\n1.0\n-9.891790 0.000000 0.000000\n0.096279 9.913171 0.000000\n-0.024552 -2.543214 -11.077312\nLi Mn P O\n14 8 16 56\ndirect\n0.279476 0.112115 0.446138 Li\n0.586727 0.179257 0.550143 Li\n0.890009 0.086934 0.027414 Li\n0.095324 0.342118 0.958576 Li\n0.392745 0.413558 0.972817 Li\n0.067644 0.338162 0.460153 Li\n0.220608 0.611730 0.448889 Li\n0.919526 0.663280 0.543515 Li\n0.607508 0.586586 0.031237 Li\n0.413310 0.852791 0.958416 Li\n0.909319 0.653941 0.042418 Li\n0.106216 0.914534 0.971617 Li\n0.423365 0.829540 0.455945 Li\n0.720091 0.887894 0.551942 Li\n0.076523 0.201616 0.671193 Mn\n0.784211 0.259723 0.824224 Mn\n0.288897 0.241861 0.175537 Mn\n0.581836 0.296434 0.324513 Mn\n0.422126 0.702825 0.677557 Mn\n0.715646 0.757052 0.825807 Mn\n0.215765 0.747314 0.178103 Mn\n0.919025 0.796996 0.324192 Mn\n0.548352 0.028458 0.757523 P\n0.293850 0.120357 0.890773 P\n0.067174 0.060331 0.243745 P\n0.848400 0.123084 0.425483 P\n0.351307 0.376740 0.572474 P\n0.568167 0.440275 0.758052 P\n0.951494 0.524533 0.758978 P\n0.792915 0.380470 0.110250 P\n0.204689 0.618167 0.893204 P\n0.049344 0.473646 0.237956 P\n0.432572 0.559740 0.244326 P\n0.646947 0.619275 0.422414 P\n0.149758 0.876469 0.573040 P\n0.931796 0.941263 0.755565 P\n0.705833 0.881865 0.108742 P\n0.457052 0.978007 0.243372 P\n0.578882 0.020564 0.625144 O\n0.162297 0.023329 0.553503 O\n0.912633 0.087909 0.732637 O\n0.650956 0.116811 0.845032 O\n0.403294 0.101289 0.780230 O\n0.169433 0.178803 0.840329 O\n0.353196 0.228569 0.997684 O\n0.730930 0.017606 0.076655 O\n0.919784 0.112769 0.294581 O\n0.064439 0.063928 0.111071 O\n0.469080 0.132438 0.228720 O\n0.707126 0.182089 0.411624 O\n0.173364 0.164921 0.311899 O\n0.939905 0.216576 0.516774 O\n0.437549 0.275018 0.481220 O\n0.671593 0.328513 0.697634 O\n0.210712 0.311991 0.579991 O\n0.957083 0.373409 0.786140 O\n0.421117 0.385417 0.703054 O\n0.560661 0.442488 0.891304 O\n0.224226 0.480219 0.926058 O\n0.860238 0.276648 0.000034 O\n0.671209 0.322220 0.162792 O\n0.902330 0.401441 0.220003 O\n0.418175 0.413935 0.271865 O\n0.141496 0.384222 0.143415 O\n0.921333 0.523301 0.629813 O\n0.647956 0.467704 0.432671 O\n0.341411 0.523778 0.553589 O\n0.086532 0.476838 0.368131 O\n0.862879 0.613240 0.857117 O\n0.590702 0.582746 0.728025 O\n0.102954 0.589495 0.778443 O\n0.329894 0.683531 0.848571 O\n0.134060 0.723139 0.997733 O\n0.776343 0.518380 0.075863 O\n0.432338 0.563199 0.112076 O\n0.579495 0.620639 0.292987 O\n0.036516 0.621210 0.212424 O\n0.789172 0.680401 0.418425 O\n0.327382 0.662307 0.314078 O\n0.563571 0.719202 0.517448 O\n0.062451 0.774931 0.481719 O\n0.826796 0.836806 0.685731 O\n0.288701 0.811083 0.581470 O\n0.535699 0.882959 0.788122 O\n0.935019 0.935258 0.887456 O\n0.079376 0.887970 0.703873 O\n0.275263 0.980311 0.921142 O\n0.632082 0.776521 0.004579 O\n0.826334 0.811823 0.154877 O\n0.602491 0.907942 0.225129 O\n0.364057 0.896318 0.143825 O\n0.087098 0.915078 0.269090 O\n0.834322 0.975040 0.444285 O\n0.413905 0.973098 0.370561 O\n",
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{
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"structure_string": "Mn8 H32 S12 N8 O48\n1.0\n10.315002 0.000000 0.000000\n0.000000 10.315002 0.000000\n0.000000 0.000000 10.315002\nMn H S N O\n8 32 12 8 48\ndirect\n0.583431 0.416569 0.916569 Mn\n0.656480 0.843520 0.156480 Mn\n0.843520 0.156480 0.656480 Mn\n0.916569 0.583431 0.416569 Mn\n0.083431 0.083431 0.083431 Mn\n0.156480 0.656480 0.843520 Mn\n0.343520 0.343520 0.343520 Mn\n0.416569 0.916569 0.583431 Mn\n0.508666 0.508666 0.508666 H\n0.524316 0.576344 0.657254 H\n0.576344 0.657254 0.524316 H\n0.657254 0.524316 0.576344 H\n0.644286 0.144286 0.355714 H\n0.657121 0.213569 0.209708 H\n0.713569 0.290292 0.342879 H\n0.709708 0.842879 0.786431 H\n0.790292 0.157121 0.286431 H\n0.786431 0.709708 0.842879 H\n0.842879 0.786431 0.709708 H\n0.855714 0.855714 0.855714 H\n0.842746 0.475684 0.076344 H\n0.923656 0.342746 0.024316 H\n0.975684 0.423656 0.157254 H\n0.991334 0.491334 0.008666 H\n0.008666 0.991334 0.491334 H\n0.024316 0.923656 0.342746 H\n0.076344 0.842746 0.475684 H\n0.157254 0.975684 0.423656 H\n0.144286 0.355714 0.644286 H\n0.157121 0.286431 0.790292 H\n0.213569 0.209708 0.657121 H\n0.209708 0.657121 0.213569 H\n0.290292 0.342879 0.713569 H\n0.286431 0.790292 0.157121 H\n0.342879 0.713569 0.290292 H\n0.355714 0.644286 0.144286 H\n0.342746 0.024316 0.923656 H\n0.423656 0.157254 0.975684 H\n0.475684 0.076344 0.842746 H\n0.491334 0.008666 0.991334 H\n0.531039 0.236465 0.625363 S\n0.625363 0.531039 0.236465 S\n0.736465 0.874637 0.468961 S\n0.763535 0.125363 0.968961 S\n0.874637 0.468961 0.736465 S\n0.968961 0.763535 0.125363 S\n0.031039 0.263535 0.374637 S\n0.125363 0.968961 0.763535 S\n0.236465 0.625363 0.531039 S\n0.263535 0.374637 0.031039 S\n0.374637 0.031039 0.263535 S\n0.468961 0.736465 0.874637 S\n0.566298 0.566298 0.566298 N\n0.701642 0.201642 0.298358 N\n0.798358 0.798358 0.798358 N\n0.933702 0.433702 0.066298 N\n0.066298 0.933702 0.433702 N\n0.201642 0.298358 0.701642 N\n0.298358 0.701642 0.201642 N\n0.433702 0.066298 0.933702 N\n0.500374 0.598379 0.845897 O\n0.508797 0.313674 0.745519 O\n0.522951 0.444318 0.288281 O\n0.555682 0.788281 0.977049 O\n0.581309 0.668238 0.248409 O\n0.598379 0.845897 0.500374 O\n0.654103 0.499626 0.098379 O\n0.668238 0.248409 0.581309 O\n0.686326 0.245519 0.991203 O\n0.711719 0.022951 0.055682 O\n0.745519 0.508797 0.313674 O\n0.748409 0.918691 0.331762 O\n0.751591 0.081309 0.831762 O\n0.754481 0.491203 0.813674 O\n0.788281 0.977049 0.555682 O\n0.813674 0.754481 0.491203 O\n0.831762 0.751591 0.081309 O\n0.845897 0.500374 0.598379 O\n0.901621 0.154103 0.000374 O\n0.918691 0.331762 0.748409 O\n0.944318 0.211719 0.477049 O\n0.977049 0.555682 0.788281 O\n0.991203 0.686326 0.245519 O\n0.999626 0.401621 0.345897 O\n0.000374 0.901621 0.154103 O\n0.008797 0.186326 0.254481 O\n0.022951 0.055682 0.711719 O\n0.055682 0.711719 0.022951 O\n0.081309 0.831762 0.751591 O\n0.098379 0.654103 0.499626 O\n0.154103 0.000374 0.901621 O\n0.168238 0.251591 0.418691 O\n0.186326 0.254481 0.008797 O\n0.211719 0.477049 0.944318 O\n0.245519 0.991203 0.686326 O\n0.248409 0.581309 0.668238 O\n0.251591 0.418691 0.168238 O\n0.254481 0.008797 0.186326 O\n0.288281 0.522951 0.444318 O\n0.313674 0.745519 0.508797 O\n0.331762 0.748409 0.918691 O\n0.345897 0.999626 0.401621 O\n0.401621 0.345897 0.999626 O\n0.418691 0.168238 0.251591 O\n0.444318 0.288281 0.522951 O\n0.477049 0.944318 0.211719 O\n0.491203 0.813674 0.754481 O\n0.499626 0.098379 0.654103 O\n",
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