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{
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{
"id": "mp-781020",
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"structure_string": "Li4 V4 Si8 O22\n1.0\n8.963898 0.000000 0.000000\n-1.293396 7.359528 0.000000\n-1.320606 -1.991150 6.586270\nLi V Si O\n4 4 8 22\ndirect\n0.610661 0.196695 0.794316 Li\n0.138479 0.150968 0.753609 Li\n0.861521 0.849032 0.246391 Li\n0.389339 0.803305 0.205684 Li\n0.880239 0.390214 0.620907 V\n0.373015 0.393550 0.609526 V\n0.626985 0.606450 0.390474 V\n0.119761 0.609786 0.379093 V\n0.239242 0.032030 0.388380 Si\n0.958970 0.231461 0.224735 Si\n0.519405 0.224873 0.222915 Si\n0.766647 0.596746 0.973985 Si\n0.233353 0.403254 0.026015 Si\n0.480595 0.775127 0.777085 Si\n0.041030 0.768539 0.775265 Si\n0.760758 0.967970 0.611620 Si\n0.819065 0.151713 0.627607 O\n0.398287 0.061088 0.256352 O\n0.323784 0.148615 0.597427 O\n0.024591 0.069132 0.259937 O\n0.710517 0.185290 0.151029 O\n0.382940 0.276316 0.040239 O\n0.679283 0.436912 0.808847 O\n0.577940 0.364667 0.412587 O\n0.185848 0.414384 0.806409 O\n0.024086 0.293469 0.049187 O\n0.061113 0.368565 0.417324 O\n0.938887 0.631435 0.582676 O\n0.975914 0.706531 0.950812 O\n0.814152 0.585616 0.193591 O\n0.422060 0.635333 0.587413 O\n0.320717 0.563088 0.191153 O\n0.617060 0.723684 0.959761 O\n0.289483 0.814710 0.848971 O\n0.975409 0.930868 0.740063 O\n0.676216 0.851385 0.402573 O\n0.601713 0.938912 0.743648 O\n0.180935 0.848287 0.372393 O\n",
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{
"id": "mp-771080",
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"structure_string": "Li8 Ni4 B4 O16\n1.0\n4.751549 0.000000 0.000000\n0.000000 6.100600 0.000000\n0.000000 0.000000 10.057957\nLi Ni B O\n8 4 4 16\ndirect\n0.757846 0.505912 0.659683 Li\n0.754372 0.738962 0.423177 Li\n0.754372 0.761038 0.923177 Li\n0.757846 0.994088 0.159683 Li\n0.257846 0.005912 0.840317 Li\n0.254372 0.238962 0.076823 Li\n0.254372 0.261038 0.576823 Li\n0.257846 0.494088 0.340317 Li\n0.259932 0.515724 0.838304 Ni\n0.259932 0.984276 0.338304 Ni\n0.759932 0.015724 0.661696 Ni\n0.759932 0.484276 0.161696 Ni\n0.264676 0.739374 0.091396 B\n0.264676 0.760626 0.591396 B\n0.764676 0.239374 0.408604 B\n0.764676 0.260626 0.908604 B\n0.150289 0.539051 0.156360 O\n0.165738 0.556013 0.658633 O\n0.173192 0.749139 0.448872 O\n0.577103 0.731916 0.099503 O\n0.577103 0.768084 0.599503 O\n0.173192 0.750861 0.948872 O\n0.165738 0.943987 0.158633 O\n0.150289 0.960949 0.656360 O\n0.650289 0.039051 0.343640 O\n0.665738 0.056013 0.841367 O\n0.673192 0.249139 0.051128 O\n0.077103 0.231916 0.400497 O\n0.077103 0.268084 0.900497 O\n0.673192 0.250861 0.551128 O\n0.665738 0.443987 0.341367 O\n0.650289 0.460949 0.843640 O\n",
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"elements": [
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],
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"density": 3.35769999975515,
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"volume": 291.5530152302125,
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"formula_full": "Li8 Ni4 B4 O16",
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"energy": -209.70542812,
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{
"id": "mp-1264130",
"created_at": "2022-09-04T14:40:36.767305Z",
"structure_string": "Ca6 Cr4 Si8 O28\n1.0\n3.846204 8.600476 0.000000\n-3.846204 8.600476 0.000000\n0.000000 5.783057 8.380152\nCa Cr Si O\n6 4 8 28\ndirect\n0.231747 0.165202 0.539319 Ca\n0.834798 0.768253 0.960681 Ca\n0.165202 0.231747 0.039319 Ca\n0.655719 0.344281 0.250000 Ca\n0.768253 0.834798 0.460681 Ca\n0.344281 0.655719 0.750000 Ca\n0.209104 0.790896 0.250000 Cr\n0.790896 0.209104 0.750000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.118047 0.534982 0.651702 Si\n0.534982 0.118047 0.151702 Si\n0.212452 0.535391 0.149031 Si\n0.535391 0.212452 0.649031 Si\n0.465018 0.881953 0.848298 Si\n0.787548 0.464609 0.850969 Si\n0.464609 0.787548 0.350969 Si\n0.881953 0.465018 0.348298 Si\n0.284231 0.881471 0.499870 O\n0.894430 0.961626 0.727470 O\n0.646915 0.463170 0.807444 O\n0.961626 0.894430 0.227470 O\n0.925304 0.264002 0.497444 O\n0.498597 0.050185 0.821193 O\n0.463170 0.646915 0.307444 O\n0.735998 0.074696 0.002556 O\n0.501403 0.949815 0.178807 O\n0.667782 0.658958 0.411295 O\n0.105570 0.038374 0.272530 O\n0.074696 0.735998 0.502556 O\n0.949815 0.501403 0.678807 O\n0.881471 0.284231 0.999870 O\n0.658958 0.667782 0.911295 O\n0.264002 0.925304 0.997444 O\n0.468250 0.894272 0.683216 O\n0.332218 0.341042 0.588705 O\n0.105728 0.531750 0.816784 O\n0.341042 0.332218 0.088705 O\n0.050185 0.498597 0.321193 O\n0.038374 0.105570 0.772530 O\n0.894272 0.468250 0.183216 O\n0.353085 0.536830 0.192556 O\n0.531750 0.105728 0.316784 O\n0.536830 0.353085 0.692556 O\n0.118529 0.715769 0.000130 O\n0.715769 0.118529 0.500130 O\n",
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"density": 3.3578736273648535,
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"volume": 554.4171999087218,
"volume_molar": 7.258213951337787,
"formula_full": "Ca6 Cr4 Si8 O28",
"formula_reduced": "Ca3Cr2(Si2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -377.5780218,
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{
"id": "mp-772284",
"created_at": "2022-09-04T14:45:19.296940Z",
"structure_string": "Mn3 V3 Te2 O16\n1.0\n5.933042 0.000000 0.000000\n2.891250 5.193594 0.000000\n0.058882 0.091250 10.539067\nMn V Te O\n3 3 2 16\ndirect\n0.818111 0.337929 0.202443 Mn\n0.669174 0.162756 0.711619 Mn\n0.172286 0.164013 0.710731 Mn\n0.879794 0.792463 0.201734 V\n0.349924 0.847518 0.237215 V\n0.180960 0.646453 0.735966 V\n0.666794 0.671886 0.519398 Te\n0.363164 0.270104 0.993876 Te\n0.838278 0.826843 0.609972 O\n0.487154 0.986453 0.323538 O\n0.656863 0.677964 0.121636 O\n0.989640 0.006536 0.292739 O\n0.001751 0.997756 0.793246 O\n0.339542 0.830110 0.609864 O\n0.969092 0.528458 0.303402 O\n0.472263 0.554382 0.314596 O\n0.141877 0.689667 0.107983 O\n0.829808 0.344939 0.605763 O\n0.464088 0.517756 0.819426 O\n0.027420 0.508302 0.819931 O\n0.337121 0.335915 0.627734 O\n0.669477 0.138100 0.104609 O\n0.485041 0.035579 0.850897 O\n0.190576 0.128119 0.097403 O\n",
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{
"id": "mp-1182068",
"created_at": "2022-09-04T14:47:58.591997Z",
"structure_string": "Ca12 Co4 O24\n1.0\n6.365925 0.248659 -0.044730\n0.189857 6.651481 6.348641\n0.282990 -6.098090 6.382435\nCa Co O\n12 4 24\ndirect\n0.101517 0.576300 0.823646 Ca\n0.105609 0.073458 0.323025 Ca\n0.749374 0.250133 0.853802 Ca\n0.750530 0.749831 0.353750 Ca\n0.601616 0.576177 0.676422 Ca\n0.605646 0.073406 0.176976 Ca\n0.898445 0.423667 0.176374 Ca\n0.894421 0.926576 0.676965 Ca\n0.250728 0.749871 0.146214 Ca\n0.249376 0.250120 0.646230 Ca\n0.398380 0.423800 0.323570 Ca\n0.394391 0.926609 0.823001 Ca\n0.999898 0.499940 0.499996 Co\n0.500125 0.500053 0.000012 Co\n0.000015 0.000114 0.000005 Co\n0.499860 0.999917 0.500008 Co\n0.776266 0.501032 0.927945 O\n0.777061 0.003873 0.427660 O\n0.723646 0.498820 0.427843 O\n0.723178 0.996303 0.927809 O\n0.577743 0.602728 0.171392 O\n0.575767 0.104795 0.672875 O\n0.567743 0.325355 0.100911 O\n0.566671 0.828300 0.600550 O\n0.933295 0.171742 0.100813 O\n0.931965 0.674630 0.600863 O\n0.421948 0.397230 0.828679 O\n0.424302 0.895188 0.326964 O\n0.432181 0.674640 0.899004 O\n0.433364 0.171688 0.399397 O\n0.922279 0.397279 0.671321 O\n0.924106 0.895058 0.172840 O\n0.077960 0.602767 0.328747 O\n0.075884 0.104887 0.827239 O\n0.276483 0.501231 0.572208 O\n0.276886 0.003752 0.072163 O\n0.066619 0.828186 0.899342 O\n0.068145 0.325408 0.399074 O\n0.223583 0.498913 0.072116 O\n0.222991 0.996223 0.572248 O\n",
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"energy": -263.20953284,
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{
"id": "mp-850214",
"created_at": "2022-09-04T14:44:54.697775Z",
"structure_string": "Li2 Fe2 Co2 O8\n1.0\n-2.891899 2.987635 4.111043\n2.891899 -2.987635 4.111043\n2.891899 2.987635 -4.111043\nLi Fe Co O\n2 2 2 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.211732 0.752961 0.458771 O\n0.229191 0.217740 0.488550 O\n0.205810 0.247039 0.958771 O\n0.229191 0.740641 0.011450 O\n0.770809 0.259359 0.988550 O\n0.794190 0.752961 0.041229 O\n0.770809 0.782260 0.511450 O\n0.788268 0.247039 0.541229 O\n",
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{
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