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{
"id": "mp-775435",
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"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.634798 0.000000 0.000000\n-0.814585 8.636729 0.000000\n-3.464444 -3.738789 11.571934\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.996270 0.003139 0.125151 Li\n0.995663 0.002865 0.625481 Li\n0.711085 0.288514 0.373150 Li\n0.499668 0.498521 0.249074 Li\n0.715062 0.291382 0.877866 Li\n0.499160 0.499853 0.499298 Li\n0.287502 0.710870 0.124137 Li\n0.500542 0.501498 0.750929 Li\n0.501121 0.500366 0.001086 Li\n0.288246 0.710411 0.624159 Li\n0.004955 0.996983 0.372134 Li\n0.005064 0.998214 0.876042 Li\n0.940549 0.629470 0.183705 Mn\n0.374823 0.056289 0.065145 Mn\n0.057860 0.371016 0.314971 Mn\n0.057160 0.375451 0.816508 Mn\n0.942105 0.623557 0.680118 V\n0.621047 0.942948 0.429507 V\n0.623568 0.942874 0.931727 V\n0.380146 0.054928 0.569098 V\n0.714380 0.287277 0.124795 P\n0.859699 0.665758 0.430777 P\n0.665527 0.865467 0.182882 P\n0.714344 0.287399 0.624970 P\n0.859333 0.664311 0.932631 P\n0.662285 0.862484 0.681881 P\n0.339378 0.133592 0.316294 P\n0.135888 0.335322 0.067213 P\n0.283196 0.710363 0.374237 P\n0.338226 0.133134 0.818197 P\n0.139131 0.339185 0.568070 P\n0.286368 0.713591 0.875264 P\n0.984514 0.662201 0.048004 O\n0.946068 0.613593 0.335505 O\n0.743036 0.174173 0.016559 O\n0.986773 0.661000 0.543855 O\n0.827334 0.264016 0.237457 O\n0.850848 0.855260 0.203066 O\n0.737085 0.461909 0.114487 O\n0.840336 0.849046 0.449994 O\n0.946337 0.614382 0.838171 O\n0.741515 0.173737 0.516737 O\n0.827952 0.264451 0.737318 O\n0.845245 0.843659 0.695600 O\n0.701014 0.546495 0.397399 O\n0.609974 0.948388 0.086520 O\n0.657404 0.989680 0.295509 O\n0.538421 0.259303 0.134800 O\n0.735859 0.462323 0.615232 O\n0.549202 0.704903 0.149281 O\n0.840490 0.847538 0.950695 O\n0.700543 0.544629 0.897520 O\n0.601715 0.950974 0.587541 O\n0.453823 0.295452 0.351941 O\n0.662936 0.987068 0.796258 O\n0.538267 0.260934 0.634281 O\n0.460305 0.735754 0.367015 O\n0.340415 0.012571 0.200310 O\n0.544051 0.703511 0.647560 O\n0.402999 0.046546 0.411480 O\n0.297446 0.451106 0.101654 O\n0.146708 0.151392 0.048903 O\n0.452124 0.294778 0.852320 O\n0.258456 0.536285 0.385730 O\n0.462372 0.735653 0.865760 O\n0.343466 0.010310 0.704633 O\n0.404494 0.046958 0.914349 O\n0.299085 0.456709 0.603485 O\n0.155810 0.143723 0.303348 O\n0.173357 0.735217 0.261930 O\n0.257122 0.826677 0.482511 O\n0.051089 0.391634 0.163515 O\n0.157680 0.157520 0.556067 O\n0.259491 0.538577 0.885709 O\n0.154425 0.142688 0.803709 O\n0.173928 0.742211 0.766283 O\n0.014956 0.338207 0.451876 O\n0.263602 0.827240 0.986852 O\n0.048754 0.400806 0.662246 O\n0.011820 0.341784 0.952535 O\n",
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"volume_molar": 6.496333893607348,
"formula_full": "Li12 Mn4 V4 P12 O48",
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"spacegroup": 1
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{
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"created_at": "2022-09-04T14:46:57.131451Z",
"structure_string": "Bi12 Pt12 O44\n1.0\n9.520712 0.000000 0.000000\n0.000000 9.520712 0.000000\n0.000000 0.000000 9.520712\nBi Pt O\n12 12 44\ndirect\n0.867634 0.132366 0.867634 Bi\n0.132366 0.132366 0.132366 Bi\n0.367634 0.632366 0.632366 Bi\n0.632366 0.367634 0.632366 Bi\n0.867634 0.867634 0.132366 Bi\n0.132366 0.867634 0.867634 Bi\n0.250000 0.750000 0.250000 Bi\n0.632366 0.632366 0.367634 Bi\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.750000 0.250000 0.250000 Bi\n0.367634 0.367634 0.367634 Bi\n0.500000 0.157831 0.000000 Pt\n0.000000 0.500000 0.842169 Pt\n0.500000 0.000000 0.657831 Pt\n0.500000 0.000000 0.342169 Pt\n0.157831 0.000000 0.500000 Pt\n0.657831 0.500000 0.000000 Pt\n0.000000 0.500000 0.157831 Pt\n0.842169 0.000000 0.500000 Pt\n0.000000 0.342169 0.500000 Pt\n0.342169 0.500000 0.000000 Pt\n0.000000 0.657831 0.500000 Pt\n0.500000 0.842169 0.000000 Pt\n0.897059 0.102941 0.102941 O\n0.500000 0.855283 0.500000 O\n0.831385 0.211677 0.494675 O\n0.602941 0.602941 0.602941 O\n0.331385 0.711677 0.005325 O\n0.000000 0.000000 0.644717 O\n0.897059 0.897059 0.897059 O\n0.831385 0.788323 0.505325 O\n0.711677 0.005325 0.331385 O\n0.397059 0.397059 0.602941 O\n0.168615 0.788323 0.494675 O\n0.168615 0.211677 0.505325 O\n0.602941 0.397059 0.397059 O\n0.505325 0.168615 0.211677 O\n0.668615 0.711677 0.994675 O\n0.288323 0.994675 0.331385 O\n0.494675 0.168615 0.788323 O\n0.397059 0.602941 0.397059 O\n0.855283 0.500000 0.500000 O\n0.211677 0.505325 0.168615 O\n0.711677 0.994675 0.668615 O\n0.005325 0.668615 0.288323 O\n0.994675 0.331385 0.288323 O\n0.288323 0.005325 0.668615 O\n0.788323 0.494675 0.168615 O\n0.331385 0.288323 0.994675 O\n0.505325 0.831385 0.788323 O\n0.788323 0.505325 0.831385 O\n0.355283 0.000000 0.000000 O\n0.500000 0.144717 0.500000 O\n0.102941 0.897059 0.102941 O\n0.000000 0.644717 0.000000 O\n0.494675 0.831385 0.211677 O\n0.211677 0.494675 0.831385 O\n0.102941 0.102941 0.897059 O\n0.668615 0.288323 0.005325 O\n0.500000 0.500000 0.855283 O\n0.000000 0.000000 0.355283 O\n0.994675 0.668615 0.711677 O\n0.144717 0.500000 0.500000 O\n0.644717 0.000000 0.000000 O\n0.005325 0.331385 0.711677 O\n0.500000 0.500000 0.144717 O\n0.000000 0.355283 0.000000 O\n",
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{
"id": "mp-655052",
"created_at": "2022-09-04T14:42:17.397940Z",
"structure_string": "Cu8 H16 C16 O32\n1.0\n6.393116 0.000000 0.000000\n0.000000 9.637021 0.000000\n0.000000 0.000000 14.007433\nCu H C O\n8 16 16 32\ndirect\n0.801381 0.856491 0.603349 Cu\n0.801381 0.356491 0.896651 Cu\n0.698619 0.856491 0.103349 Cu\n0.301381 0.143509 0.896651 Cu\n0.301381 0.643509 0.603349 Cu\n0.698619 0.356491 0.396651 Cu\n0.198619 0.143509 0.396651 Cu\n0.198619 0.643509 0.103349 Cu\n0.365843 0.818851 0.247727 H\n0.365843 0.318851 0.252273 H\n0.865843 0.681149 0.247727 H\n0.634157 0.681149 0.747727 H\n0.134157 0.818851 0.747727 H\n0.634157 0.181149 0.752273 H\n0.710162 0.695203 0.418685 H\n0.789838 0.695203 0.918685 H\n0.710162 0.195203 0.081315 H\n0.865843 0.181149 0.252273 H\n0.289838 0.804797 0.918685 H\n0.210162 0.304797 0.081315 H\n0.289838 0.304797 0.581315 H\n0.210162 0.804797 0.418685 H\n0.134157 0.318851 0.752273 H\n0.789838 0.195203 0.581315 H\n0.304583 0.621186 0.230252 C\n0.804583 0.878814 0.230252 C\n0.185714 0.864307 0.485509 C\n0.195417 0.621186 0.730252 C\n0.804583 0.378814 0.269748 C\n0.695417 0.878814 0.730252 C\n0.304583 0.121186 0.269748 C\n0.185714 0.364307 0.014491 C\n0.685714 0.135693 0.014491 C\n0.685714 0.635693 0.485509 C\n0.814286 0.635693 0.985509 C\n0.814286 0.135693 0.514491 C\n0.314286 0.364307 0.514491 C\n0.695417 0.378814 0.769748 C\n0.314286 0.864307 0.985509 C\n0.195417 0.121186 0.769748 C\n0.393493 0.226917 0.222470 O\n0.393493 0.726917 0.277530 O\n0.759807 0.011311 0.510057 O\n0.759807 0.511311 0.989943 O\n0.901444 0.702964 0.056034 O\n0.801902 0.494843 0.233971 O\n0.259807 0.988689 0.989943 O\n0.098556 0.797036 0.556034 O\n0.198098 0.005157 0.733971 O\n0.401444 0.297036 0.443966 O\n0.598556 0.202964 0.943966 O\n0.606507 0.273083 0.722470 O\n0.240193 0.488689 0.010057 O\n0.606507 0.773083 0.777530 O\n0.698098 0.994843 0.766029 O\n0.801902 0.994843 0.266029 O\n0.098556 0.297036 0.943966 O\n0.106507 0.726917 0.777530 O\n0.198098 0.505157 0.766029 O\n0.240193 0.988689 0.489943 O\n0.598556 0.702964 0.556034 O\n0.740193 0.511311 0.489943 O\n0.301902 0.505157 0.266029 O\n0.401444 0.797036 0.056034 O\n0.259807 0.488689 0.510057 O\n0.740193 0.011311 0.010057 O\n0.698098 0.494843 0.733971 O\n0.893493 0.773083 0.277530 O\n0.893493 0.273083 0.222470 O\n0.301902 0.005157 0.233971 O\n0.901444 0.202964 0.443966 O\n0.106507 0.226917 0.722470 O\n",
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{
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"structure_string": "Li2 Mg2 Al6 S12 O48\n1.0\n8.297356 0.000000 0.000000\n-0.029251 8.674667 0.000000\n-0.029877 -0.772474 11.991130\nLi Mg Al S O\n2 2 6 12 48\ndirect\n0.348671 0.726678 0.084889 Li\n0.651329 0.273322 0.915111 Li\n0.500983 0.783092 0.853876 Mg\n0.499017 0.216908 0.146124 Mg\n0.995017 0.705730 0.153269 Al\n0.996150 0.285531 0.355762 Al\n0.499794 0.200575 0.642284 Al\n0.003850 0.714469 0.644238 Al\n0.500206 0.799425 0.357716 Al\n0.004983 0.294270 0.846731 Al\n0.145515 0.358042 0.603528 S\n0.207106 0.000614 0.252054 S\n0.350753 0.855706 0.602260 S\n0.646315 0.852103 0.109837 S\n0.133313 0.644340 0.896930 S\n0.712448 0.492219 0.746511 S\n0.287552 0.507781 0.253489 S\n0.866687 0.355660 0.103070 S\n0.353685 0.147897 0.890163 S\n0.649247 0.144294 0.397740 S\n0.792894 0.999386 0.747946 S\n0.854485 0.641958 0.396472 S\n0.182676 0.399639 0.309875 O\n0.320315 0.340257 0.623762 O\n0.048743 0.288097 0.691383 O\n0.100291 0.276854 0.496193 O\n0.076223 0.081963 0.315105 O\n0.361492 0.027507 0.615242 O\n0.383565 0.984942 0.903509 O\n0.310164 0.925801 0.334082 O\n0.136282 0.879333 0.170319 O\n0.702629 0.894792 0.814561 O\n0.178606 0.817654 0.580743 O\n0.450278 0.797416 0.506585 O\n0.818819 0.833862 0.135977 O\n0.408276 0.782677 0.700174 O\n0.540870 0.792344 0.201589 O\n0.594752 0.754245 0.011573 O\n0.087575 0.717952 0.794084 O\n0.027312 0.702741 0.989232 O\n0.301947 0.683449 0.927451 O\n0.585977 0.568949 0.811731 O\n0.355533 0.621099 0.338439 O\n0.190389 0.592965 0.169176 O\n0.111228 0.525047 0.601825 O\n0.873356 0.526521 0.120151 O\n0.126644 0.473479 0.879849 O\n0.888772 0.474953 0.398175 O\n0.809611 0.407035 0.830824 O\n0.644467 0.378901 0.661561 O\n0.414023 0.431051 0.188269 O\n0.698053 0.316551 0.072549 O\n0.972688 0.297259 0.010768 O\n0.912425 0.282048 0.205916 O\n0.405248 0.245755 0.988427 O\n0.459130 0.207656 0.798411 O\n0.591724 0.217323 0.299826 O\n0.181181 0.166138 0.864023 O\n0.549722 0.202584 0.493415 O\n0.821394 0.182346 0.419257 O\n0.297371 0.105208 0.185439 O\n0.863718 0.120667 0.829681 O\n0.689836 0.074199 0.665918 O\n0.616435 0.015058 0.096491 O\n0.638508 0.972493 0.384758 O\n0.923777 0.918037 0.684895 O\n0.899709 0.723146 0.503807 O\n0.951257 0.711903 0.308617 O\n0.679685 0.659743 0.376238 O\n0.817324 0.600361 0.690125 O\n",
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{
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