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{
"id": "mp-1196090",
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"structure_string": "K4 B12 O20\n1.0\n4.425085 4.851036 0.000000\n-4.425085 4.851036 0.000000\n0.000000 2.246847 8.912079\nK B O\n4 12 20\ndirect\n0.259878 0.583794 0.941293 K\n0.416206 0.740122 0.558707 K\n0.740122 0.416206 0.058707 K\n0.583794 0.259878 0.441293 K\n0.793479 0.790498 0.739656 B\n0.209502 0.206521 0.760344 B\n0.206521 0.209502 0.260344 B\n0.790498 0.793479 0.239656 B\n0.915992 0.431323 0.682102 B\n0.568677 0.084008 0.817898 B\n0.084008 0.568677 0.317898 B\n0.431323 0.915992 0.182102 B\n0.034527 0.118120 0.564168 B\n0.881880 0.965473 0.935832 B\n0.965473 0.881880 0.435832 B\n0.118120 0.034527 0.064168 B\n0.932275 0.904906 0.600752 O\n0.095094 0.067725 0.899248 O\n0.067725 0.095094 0.399248 O\n0.904906 0.932275 0.100752 O\n0.886478 0.781655 0.873046 O\n0.218345 0.113522 0.626954 O\n0.113522 0.218345 0.126954 O\n0.781655 0.886478 0.373046 O\n0.092896 0.411843 0.746566 O\n0.588157 0.907104 0.753434 O\n0.907104 0.588157 0.253434 O\n0.411843 0.092896 0.246566 O\n0.764112 0.587640 0.705042 O\n0.412360 0.235888 0.794958 O\n0.235888 0.412360 0.294958 O\n0.587640 0.764112 0.205042 O\n0.884861 0.289195 0.594590 O\n0.710805 0.115139 0.905410 O\n0.115139 0.710805 0.405410 O\n0.289195 0.884861 0.094590 O\n",
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{
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"formula_full": "Na4 Ti4 Si4 O22",
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{
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"created_at": "2022-09-04T14:42:21.499860Z",
"structure_string": "Ti3 S6 O24\n1.0\n7.862034 -4.187784 0.000000\n7.862034 4.187784 0.000000\n5.631373 0.000000 6.901938\nTi S O\n3 6 24\ndirect\n0.642728 0.642728 0.642728 Ti\n0.356715 0.356715 0.356715 Ti\n0.147441 0.147441 0.147441 Ti\n0.533252 0.967794 0.247575 S\n0.247575 0.533252 0.967794 S\n0.967794 0.247575 0.533252 S\n0.040478 0.743569 0.472353 S\n0.743569 0.472353 0.040478 S\n0.472353 0.040478 0.743569 S\n0.495218 0.881447 0.706163 O\n0.881446 0.706163 0.495218 O\n0.668316 0.991142 0.054336 O\n0.706163 0.495218 0.881446 O\n0.340824 0.983163 0.275925 O\n0.603584 0.774184 0.396017 O\n0.396017 0.603584 0.774184 O\n0.054336 0.668316 0.991142 O\n0.774184 0.396017 0.603584 O\n0.028691 0.945620 0.320990 O\n0.033018 0.714428 0.649768 O\n0.714428 0.649768 0.033018 O\n0.275925 0.340824 0.983163 O\n0.983163 0.275925 0.340824 O\n0.991142 0.054336 0.668316 O\n0.229659 0.611454 0.373115 O\n0.945620 0.320990 0.028691 O\n0.611454 0.373115 0.229659 O\n0.373115 0.229659 0.611454 O\n0.649768 0.033018 0.714428 O\n0.317439 0.488260 0.112977 O\n0.320990 0.028691 0.945620 O\n0.112977 0.317439 0.488260 O\n0.488260 0.112977 0.317439 O\n",
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"formula_full": "Ti3 S6 O24",
"formula_reduced": "Ti(SO4)2",
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{
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"created_at": "2022-09-04T14:42:25.864479Z",
"structure_string": "Co4 Cl8 O32\n1.0\n4.798849 0.080970 6.758245\n-7.249546 4.170569 1.529591\n-4.171587 -8.357067 3.066359\nCo Cl O\n4 8 32\ndirect\n0.999588 0.499879 0.749906 Co\n0.000253 0.999959 0.500106 Co\n0.000337 0.500074 0.250099 Co\n0.999802 0.000076 0.999899 Co\n0.225750 0.241740 0.750394 Cl\n0.226389 0.242046 0.249476 Cl\n0.225698 0.742150 0.499821 Cl\n0.226081 0.741554 0.000024 Cl\n0.774063 0.757802 0.750385 Cl\n0.773799 0.758411 0.249738 Cl\n0.774393 0.258043 0.499753 Cl\n0.773829 0.258259 0.000409 Cl\n0.407679 0.302583 0.751106 O\n0.408481 0.302928 0.249264 O\n0.407782 0.803089 0.499698 O\n0.408106 0.801719 0.000470 O\n0.592015 0.696263 0.750523 O\n0.591818 0.698203 0.249078 O\n0.592392 0.197372 0.499319 O\n0.591729 0.197849 0.000497 O\n0.158857 0.084467 0.829487 O\n0.159804 0.084461 0.328315 O\n0.159080 0.584592 0.578624 O\n0.158954 0.584310 0.079215 O\n0.840659 0.791180 0.891041 O\n0.839729 0.792382 0.390556 O\n0.840664 0.291918 0.640537 O\n0.840456 0.291581 0.141091 O\n0.841299 0.634099 0.688352 O\n0.840485 0.633750 0.188800 O\n0.841196 0.133568 0.438584 O\n0.840196 0.133761 0.938515 O\n0.840334 0.915482 0.671614 O\n0.840996 0.915609 0.170580 O\n0.841219 0.415352 0.420625 O\n0.840781 0.415745 0.921555 O\n0.159845 0.207749 0.609582 O\n0.159728 0.208647 0.108819 O\n0.158926 0.708836 0.359141 O\n0.159918 0.707660 0.859248 O\n0.158514 0.366017 0.811303 O\n0.159758 0.366169 0.311507 O\n0.158990 0.866362 0.561747 O\n0.159628 0.866304 0.061199 O\n",
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{
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"created_at": "2022-09-04T14:45:28.007052Z",
"structure_string": "Mg4 V4 S12\n1.0\n6.147886 0.000000 2.595846\n3.004240 6.211959 1.463006\n-0.987851 0.004156 10.917693\nMg V S\n4 4 12\ndirect\n0.427185 0.556116 0.589512 Mg\n0.574861 0.088532 0.761746 Mg\n0.429996 0.054657 0.085351 Mg\n0.570241 0.591818 0.267698 Mg\n0.932438 0.851592 0.283533 V\n0.059589 0.416556 0.464266 V\n0.936219 0.348383 0.779179 V\n0.059079 0.914262 0.967580 V\n0.756804 0.187067 0.299324 S\n0.226818 0.254653 0.291710 S\n0.761597 0.685183 0.791622 S\n0.232110 0.735098 0.800681 S\n0.289374 0.766668 0.120998 S\n0.822959 0.766668 0.120998 S\n0.699654 0.698664 0.432974 S\n0.168708 0.698664 0.432974 S\n0.292374 0.263585 0.616869 S\n0.827172 0.263585 0.616869 S\n0.704272 0.194574 0.928207 S\n0.172947 0.194574 0.928207 S\n",
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"formula_full": "Mg4 V4 S12",
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{
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"created_at": "2022-09-04T14:48:12.656593Z",
"structure_string": "K8 Li9 Cr4 O16\n1.0\n5.607777 0.000000 0.000000\n0.054718 9.126346 0.000000\n1.644231 0.299700 10.350684\nK Li Cr O\n8 9 4 16\ndirect\n0.826845 0.997076 0.871520 K\n0.890958 0.284847 0.374073 K\n0.625032 0.492964 0.649593 K\n0.353072 0.265070 0.869706 K\n0.649065 0.728136 0.124881 K\n0.358937 0.506839 0.352400 K\n0.104769 0.729360 0.620477 K\n0.168048 0.991583 0.137337 K\n0.927967 0.248669 0.701294 Li\n0.725798 0.516831 0.924381 Li\n0.831184 0.014954 0.558068 Li\n0.580754 0.749030 0.809044 Li\n0.582052 0.028099 0.302770 Li\n0.385929 0.970181 0.706355 Li\n0.411659 0.253257 0.192345 Li\n0.289447 0.488779 0.069696 Li\n0.082411 0.752255 0.304127 Li\n0.828226 0.282417 0.060385 Cr\n0.655868 0.789770 0.446433 Cr\n0.336822 0.202341 0.548990 Cr\n0.170228 0.713227 0.941738 Cr\n0.879348 0.710030 0.869742 O\n0.851879 0.302514 0.885882 O\n0.852852 0.938996 0.375330 O\n0.826442 0.623719 0.416391 O\n0.611008 0.821951 0.619773 O\n0.609688 0.181498 0.625007 O\n0.672155 0.112624 0.120245 O\n0.408833 0.564499 0.888962 O\n0.612055 0.422735 0.119287 O\n0.318687 0.898922 0.878199 O\n0.397965 0.801711 0.364395 O\n0.400736 0.202076 0.374866 O\n0.184360 0.372194 0.591158 O\n0.120082 0.070253 0.634268 O\n0.159420 0.684635 0.125887 O\n0.114378 0.292865 0.119396 O\n",
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{
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"structure_string": "P2 N2 O2\n1.0\n-2.262065 2.415772 3.521807\n2.262065 -2.415772 3.521807\n2.262065 2.415772 -3.521807\nP N O\n2 2 2\ndirect\n0.889517 0.139517 0.750000 P\n0.610483 0.360483 0.250000 P\n0.250000 0.109231 0.859231 N\n0.750000 0.390769 0.640769 N\n0.627000 0.750000 0.377000 O\n0.873000 0.250000 0.123000 O\n",
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{
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"structure_string": "Mg6 Zr1 C1\n1.0\n2.716891 -6.232184 0.000000\n2.716891 6.232184 0.000000\n0.000000 0.000000 4.642199\nMg Zr C\n6 1 1\ndirect\n0.301910 0.203416 0.500000 Mg\n0.796584 0.698090 0.500000 Mg\n0.173699 0.332875 0.000000 Mg\n0.667125 0.826301 0.000000 Mg\n0.654502 0.345498 0.000000 Mg\n0.209725 0.790275 0.000000 Mg\n0.810644 0.189356 0.500000 Zr\n0.385817 0.614183 0.500000 C\n",
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{
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},
{
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"formula_full": "Li6 Cu2 B6 O14",
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},
{
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"created_at": "2022-09-04T14:39:36.647197Z",
"structure_string": "Li2 Ni2 P2 C2 O14\n1.0\n6.352985 0.000000 0.000000\n0.000000 5.089037 0.000000\n0.000000 0.598474 8.613402\nLi Ni P C O\n2 2 2 2 14\ndirect\n0.993724 0.222339 0.231472 Li\n0.493724 0.777661 0.768528 Li\n0.750276 0.791277 0.339655 Ni\n0.250276 0.208723 0.660345 Ni\n0.251816 0.720276 0.428949 P\n0.751816 0.279724 0.571051 P\n0.750469 0.722437 0.062714 C\n0.250469 0.277563 0.937286 C\n0.441265 0.782862 0.320181 O\n0.757903 0.953487 0.118182 O\n0.271039 0.470335 0.830624 O\n0.771039 0.529665 0.169376 O\n0.566288 0.167860 0.671280 O\n0.771348 0.150634 0.415869 O\n0.941265 0.217138 0.679819 O\n0.257903 0.046513 0.881818 O\n0.066288 0.832140 0.328720 O\n0.228927 0.417573 0.461159 O\n0.720148 0.688287 0.922429 O\n0.220148 0.311713 0.077571 O\n0.728927 0.582427 0.538841 O\n0.271348 0.849366 0.584131 O\n",
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"density_atomic": 0.07900135234672498,
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"formula_full": "Li2 Ni2 P2 C2 O14",
"formula_reduced": "LiNiPCO7",
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{
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"created_at": "2022-09-04T14:39:12.786746Z",
"structure_string": "Li12 Co4 P8 O32\n1.0\n10.400298 0.000000 0.000000\n0.000000 8.174995 0.000000\n0.000000 2.085966 8.007854\nLi Co P O\n12 4 8 32\ndirect\n0.652792 0.639918 0.084232 Li\n0.841501 0.647825 0.594897 Li\n0.351727 0.831551 0.906781 Li\n0.334356 0.602420 0.658835 Li\n0.341501 0.352175 0.405103 Li\n0.661377 0.391428 0.848051 Li\n0.161377 0.608572 0.151949 Li\n0.079057 0.548538 0.465087 Li\n0.579057 0.451462 0.534913 Li\n0.152792 0.360082 0.915768 Li\n0.851727 0.168449 0.093219 Li\n0.834356 0.397580 0.341165 Li\n0.339360 0.094258 0.162294 Co\n0.839360 0.905742 0.837706 Co\n0.659799 0.907799 0.339541 Co\n0.159799 0.092201 0.660459 Co\n0.913292 0.277992 0.719905 P\n0.898361 0.763237 0.213510 P\n0.590795 0.290114 0.219213 P\n0.090795 0.709886 0.780787 P\n0.095602 0.233831 0.292548 P\n0.595602 0.766169 0.707452 P\n0.398361 0.236763 0.786490 P\n0.413292 0.722008 0.280095 P\n0.038320 0.725963 0.261389 O\n0.324317 0.383449 0.823866 O\n0.444642 0.236763 0.254236 O\n0.857242 0.111439 0.683460 O\n0.845284 0.316391 0.868810 O\n0.166490 0.873659 0.800486 O\n0.171791 0.187941 0.143661 O\n0.954141 0.254506 0.246743 O\n0.643869 0.349063 0.366658 O\n0.824317 0.616551 0.176134 O\n0.882261 0.922732 0.055489 O\n0.103496 0.577104 0.945403 O\n0.330038 0.180120 0.636541 O\n0.158511 0.390093 0.333963 O\n0.061242 0.237315 0.761026 O\n0.404401 0.574971 0.439209 O\n0.666490 0.126341 0.199514 O\n0.357242 0.888561 0.316540 O\n0.830038 0.819880 0.363459 O\n0.454141 0.745494 0.753257 O\n0.944642 0.763237 0.745764 O\n0.143869 0.650937 0.633342 O\n0.118600 0.079918 0.448331 O\n0.904401 0.425029 0.560791 O\n0.658511 0.609907 0.666037 O\n0.561242 0.762685 0.238974 O\n0.618600 0.920082 0.551669 O\n0.345284 0.683609 0.131190 O\n0.671791 0.812059 0.856339 O\n0.382261 0.077268 0.944511 O\n0.603496 0.422896 0.054597 O\n0.538320 0.274037 0.738611 O\n",
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]
}