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{
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{
"id": "mp-21904",
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"structure_string": "Pb8 S16 O24\n1.0\n7.077002 0.000000 0.000000\n0.000000 7.322070 0.000000\n0.000000 0.000000 16.435085\nPb S O\n8 16 24\ndirect\n0.654466 0.528456 0.123031 Pb\n0.154466 0.471544 0.376969 Pb\n0.845534 0.028456 0.876969 Pb\n0.345534 0.971544 0.623031 Pb\n0.345534 0.471544 0.876969 Pb\n0.845534 0.528456 0.623031 Pb\n0.154466 0.971544 0.123031 Pb\n0.654466 0.028456 0.376969 Pb\n0.329004 0.999178 0.893151 S\n0.303972 0.107725 0.291700 S\n0.696028 0.392275 0.791700 S\n0.196028 0.607725 0.708300 S\n0.196028 0.107725 0.791700 S\n0.696028 0.892275 0.708300 S\n0.303972 0.607725 0.208300 S\n0.803972 0.392275 0.291700 S\n0.670996 0.000822 0.106849 S\n0.170996 0.999178 0.393151 S\n0.829004 0.500822 0.893151 S\n0.329004 0.499178 0.606849 S\n0.670996 0.500822 0.393151 S\n0.829004 0.000822 0.606849 S\n0.170996 0.499178 0.106849 S\n0.803972 0.892275 0.208300 S\n0.565745 0.167136 0.129257 O\n0.065745 0.832864 0.370743 O\n0.934255 0.667136 0.870743 O\n0.434255 0.332864 0.629257 O\n0.434255 0.832864 0.870743 O\n0.934255 0.167136 0.629257 O\n0.065745 0.332864 0.129257 O\n0.565745 0.667136 0.370743 O\n0.539586 0.857637 0.076613 O\n0.039586 0.142363 0.423387 O\n0.960414 0.357637 0.923387 O\n0.460414 0.642363 0.576613 O\n0.460414 0.142363 0.923387 O\n0.960414 0.857637 0.576613 O\n0.039586 0.642363 0.076613 O\n0.539586 0.357637 0.423387 O\n0.825924 0.036363 0.047755 O\n0.325924 0.963637 0.452245 O\n0.674076 0.536363 0.952245 O\n0.825924 0.536363 0.452245 O\n0.174076 0.963637 0.952245 O\n0.674076 0.036363 0.547755 O\n0.325924 0.463637 0.047755 O\n0.174076 0.463637 0.547755 O\n",
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},
{
"id": "mp-1666644",
"created_at": "2022-09-04T14:47:13.947341Z",
"structure_string": "Li14 Mn10 O24\n1.0\n5.213142 0.114191 0.772022\n-2.379144 5.491825 0.770200\n-3.107102 -5.439380 13.754225\nLi Mn O\n14 10 24\ndirect\n0.333354 0.166671 0.333326 Li\n0.833354 0.666637 0.833334 Li\n0.573934 0.167780 0.082216 Li\n0.103683 0.663998 0.589306 Li\n0.563015 0.669389 0.077352 Li\n0.092761 0.165556 0.584475 Li\n0.748606 0.011113 0.251655 Li\n0.233954 0.519658 0.751425 Li\n0.918218 0.322227 0.415029 Li\n0.432614 0.813638 0.915247 Li\n0.919594 0.839920 0.412569 Li\n0.421107 0.342490 0.908772 Li\n0.747101 0.493462 0.254094 Li\n0.245542 0.990848 0.757861 Li\n0.833158 0.166612 0.833376 Mn\n0.333450 0.666676 0.333351 Mn\n0.498164 0.502225 0.498068 Mn\n0.992172 0.998501 0.998373 Mn\n0.168445 0.831125 0.168591 Mn\n0.674373 0.334770 0.668254 Mn\n0.495522 0.007674 0.497855 Mn\n0.992411 0.503568 0.996380 Mn\n0.171108 0.325688 0.168804 Mn\n0.674491 0.829737 0.670312 Mn\n0.277965 0.317472 0.050658 O\n0.743641 0.842870 0.540229 O\n0.923045 0.490484 0.126431 O\n0.388631 0.015879 0.615997 O\n0.415401 0.165456 0.203416 O\n0.945797 0.647992 0.702797 O\n0.251233 0.167922 0.463240 O\n0.720869 0.685294 0.963854 O\n0.611104 0.984573 0.377598 O\n0.111219 0.483912 0.877302 O\n0.055591 0.348820 0.289074 O\n0.555366 0.849348 0.789378 O\n0.274994 0.816070 0.045979 O\n0.779361 0.314953 0.540883 O\n0.887285 0.018399 0.125766 O\n0.391732 0.517315 0.620694 O\n0.452540 0.644715 0.215252 O\n0.952397 0.146345 0.715024 O\n0.214191 0.688653 0.451415 O\n0.714236 0.186973 0.951661 O\n0.586365 0.520398 0.377258 O\n0.086644 0.022059 0.877620 O\n0.080312 0.812936 0.289408 O\n0.579951 0.311202 0.789039 O\n",
"nsites": 48,
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"elements": [
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],
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"volume": 442.24657167421174,
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"formula_full": "Li14 Mn10 O24",
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"spacegroup": 2
},
{
"id": "mp-707339",
"created_at": "2022-09-04T14:47:15.744711Z",
"structure_string": "As4 H24 N4 O16\n1.0\n7.750347 0.000000 0.000000\n0.000000 8.059436 0.000000\n0.000000 0.000000 8.510602\nAs H N O\n4 24 4 16\ndirect\n0.709108 0.214200 0.240109 As\n0.290892 0.714200 0.259891 As\n0.209108 0.285800 0.759891 As\n0.790892 0.785800 0.740109 As\n0.754086 0.722887 0.403087 H\n0.787641 0.137122 0.753339 H\n0.663547 0.660510 0.231817 H\n0.626521 0.283715 0.733729 H\n0.581425 0.839883 0.932399 H\n0.569833 0.430255 0.368816 H\n0.430167 0.930255 0.131184 H\n0.418575 0.339883 0.567601 H\n0.373479 0.783715 0.766271 H\n0.336453 0.160510 0.268183 H\n0.212359 0.637122 0.746661 H\n0.245914 0.222887 0.096913 H\n0.254086 0.777113 0.596913 H\n0.287641 0.362878 0.246661 H\n0.163547 0.839490 0.768183 H\n0.126521 0.216285 0.266271 H\n0.081425 0.660117 0.067601 H\n0.069833 0.069745 0.631184 H\n0.930167 0.569745 0.868816 H\n0.918575 0.160117 0.432399 H\n0.873479 0.716285 0.233729 H\n0.836453 0.339490 0.731817 H\n0.712359 0.862878 0.253339 H\n0.745914 0.277113 0.903087 H\n0.747826 0.258558 0.778837 N\n0.252174 0.758558 0.721163 N\n0.247826 0.241442 0.221163 N\n0.752174 0.741442 0.278837 N\n0.746285 0.663713 0.587230 O\n0.632130 0.328200 0.406034 O\n0.582778 0.045222 0.214009 O\n0.592918 0.865999 0.820221 O\n0.407082 0.365999 0.679779 O\n0.417222 0.545222 0.285991 O\n0.367870 0.828200 0.093966 O\n0.253715 0.163713 0.912770 O\n0.246285 0.836287 0.412770 O\n0.132130 0.171800 0.593966 O\n0.082778 0.454778 0.785991 O\n0.092918 0.634001 0.179779 O\n0.907082 0.134001 0.320221 O\n0.917222 0.954778 0.714009 O\n0.867870 0.671800 0.906034 O\n0.753715 0.336287 0.087230 O\n",
"nsites": 48,
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"elements": [
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"H",
"N",
"O"
],
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"formula_full": "As4 H24 N4 O16",
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"energy": -265.93648875,
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"updated_at": "2021-11-28T01:38:00.135000Z",
"spacegroup": 19
},
{
"id": "mp-1639240",
"created_at": "2022-09-04T14:47:14.991244Z",
"structure_string": "Li8 Co4 P8 O28\n1.0\n2.914651 6.573351 -0.186953\n-7.229021 6.868854 -0.635807\n2.241821 3.101256 7.911942\nLi Co P O\n8 4 8 28\ndirect\n0.200627 0.117376 0.010035 Li\n0.707146 0.614275 0.010571 Li\n0.798240 0.883525 0.989689 Li\n0.298389 0.384972 0.989512 Li\n0.725305 0.160548 0.754292 Li\n0.232970 0.647435 0.752564 Li\n0.274276 0.839097 0.246132 Li\n0.772806 0.337962 0.241259 Li\n0.318070 0.507791 0.335829 Co\n0.685394 0.501551 0.664781 Co\n0.815349 0.010019 0.338559 Co\n0.182484 0.991249 0.666961 Co\n0.046868 0.207521 0.396635 P\n0.554295 0.704053 0.392975 P\n0.949072 0.794195 0.607459 P\n0.448005 0.296642 0.607106 P\n0.510979 0.183519 0.145080 P\n0.015682 0.686186 0.143664 P\n0.487957 0.813298 0.855823 P\n0.987036 0.317039 0.851844 P\n0.400253 0.862421 0.440197 O\n0.901210 0.367615 0.447682 O\n0.595119 0.136316 0.565527 O\n0.101343 0.635272 0.565236 O\n0.020737 0.122733 0.541377 O\n0.528532 0.624278 0.542261 O\n0.977126 0.869119 0.454604 O\n0.481618 0.371166 0.453464 O\n0.010415 0.138385 0.256294 O\n0.523370 0.627972 0.254747 O\n0.975318 0.873590 0.745406 O\n0.473433 0.374435 0.746075 O\n0.308992 0.942570 0.841700 O\n0.806193 0.445332 0.837369 O\n0.688977 0.054572 0.161608 O\n0.191918 0.556536 0.160716 O\n0.467691 0.158922 0.992063 O\n0.971846 0.661316 0.991008 O\n0.531960 0.836061 0.008704 O\n0.029041 0.342712 0.005152 O\n0.293894 0.199911 0.315040 O\n0.796995 0.703333 0.313396 O\n0.704492 0.796737 0.685623 O\n0.201333 0.302814 0.681411 O\n0.956426 0.172939 0.845582 O\n0.456542 0.669025 0.846845 O\n0.049474 0.829100 0.149823 O\n0.544801 0.326567 0.150320 O\n",
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"formula_full": "Li8 Co4 P8 O28",
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},
{
"id": "mp-669376",
"created_at": "2022-09-04T14:47:14.819776Z",
"structure_string": "K4 U8 F36\n1.0\n8.139356 0.000000 0.000000\n0.000000 10.254851 0.000000\n0.000000 0.000000 10.509880\nK U F\n4 8 36\ndirect\n0.035582 0.750000 0.500686 K\n0.964418 0.250000 0.499314 K\n0.464418 0.250000 0.000686 K\n0.535582 0.750000 0.999314 K\n0.119941 0.021377 0.155151 U\n0.119941 0.478623 0.155151 U\n0.880059 0.978623 0.844849 U\n0.880059 0.521377 0.844849 U\n0.619941 0.021377 0.344849 U\n0.619941 0.478623 0.344849 U\n0.380059 0.521377 0.655151 U\n0.380059 0.978623 0.655151 U\n0.654340 0.250000 0.329271 F\n0.609998 0.920521 0.762006 F\n0.154340 0.250000 0.170729 F\n0.345660 0.750000 0.670729 F\n0.062065 0.106274 0.957557 F\n0.709307 0.087568 0.956468 F\n0.845660 0.750000 0.829271 F\n0.437935 0.606274 0.457557 F\n0.062065 0.393726 0.957557 F\n0.639454 0.889934 0.193264 F\n0.860546 0.110066 0.693264 F\n0.290693 0.587568 0.043532 F\n0.562065 0.106274 0.542443 F\n0.109998 0.920521 0.737994 F\n0.790693 0.587568 0.456468 F\n0.360546 0.110066 0.806736 F\n0.562065 0.393726 0.542443 F\n0.209307 0.087568 0.543532 F\n0.139454 0.610066 0.306736 F\n0.709307 0.412432 0.956468 F\n0.609998 0.579479 0.762006 F\n0.890002 0.420521 0.262006 F\n0.290693 0.912432 0.043532 F\n0.937935 0.606274 0.042443 F\n0.437935 0.893726 0.457557 F\n0.890002 0.079479 0.262006 F\n0.860546 0.389934 0.693264 F\n0.139454 0.889934 0.306736 F\n0.390002 0.420521 0.237994 F\n0.109998 0.579479 0.737994 F\n0.790693 0.912432 0.456468 F\n0.390002 0.079479 0.237994 F\n0.639454 0.610066 0.193264 F\n0.209307 0.412432 0.543532 F\n0.937935 0.893726 0.042443 F\n0.360546 0.389934 0.806736 F\n",
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{
"id": "mp-21606",
"created_at": "2022-09-04T14:47:14.486138Z",
"structure_string": "Ti12 Mn12 Si24\n1.0\n7.719383 0.000000 0.000000\n0.000000 8.659312 0.000000\n0.000000 0.000000 9.481698\nTi Mn Si\n12 12 24\ndirect\n0.000000 0.167989 0.820849 Ti\n0.239891 0.171668 0.546999 Ti\n0.760109 0.328332 0.046999 Ti\n0.760109 0.671668 0.953001 Ti\n0.760109 0.171668 0.546999 Ti\n0.760109 0.828332 0.453001 Ti\n0.239891 0.671668 0.953001 Ti\n0.239891 0.328332 0.046999 Ti\n0.000000 0.332011 0.320849 Ti\n0.000000 0.667989 0.679151 Ti\n0.000000 0.832011 0.179151 Ti\n0.239891 0.828332 0.453001 Ti\n0.247703 0.084745 0.253086 Mn\n0.247703 0.584745 0.246914 Mn\n0.247703 0.415255 0.753086 Mn\n0.752297 0.084745 0.253086 Mn\n0.752297 0.915255 0.746914 Mn\n0.752297 0.415255 0.753086 Mn\n0.752297 0.584745 0.246914 Mn\n0.247703 0.915255 0.746914 Mn\n0.243638 0.000000 0.000000 Mn\n0.756362 0.500000 0.500000 Mn\n0.756362 0.000000 0.000000 Mn\n0.243638 0.500000 0.500000 Mn\n0.500000 0.037491 0.375982 Si\n0.000000 0.461732 0.879392 Si\n0.000000 0.538268 0.120608 Si\n0.000000 0.961732 0.620608 Si\n0.000000 0.038268 0.379392 Si\n0.000000 0.370141 0.603859 Si\n0.000000 0.629859 0.396141 Si\n0.000000 0.870141 0.896141 Si\n0.500000 0.374914 0.597434 Si\n0.500000 0.625086 0.402566 Si\n0.500000 0.874914 0.902566 Si\n0.500000 0.125086 0.097434 Si\n0.500000 0.462509 0.875982 Si\n0.500000 0.537491 0.124018 Si\n0.500000 0.962509 0.624018 Si\n0.000000 0.129859 0.103859 Si\n0.346042 0.332204 0.317503 Si\n0.653958 0.832204 0.182497 Si\n0.346042 0.832204 0.182497 Si\n0.653958 0.167796 0.817503 Si\n0.653958 0.667796 0.682497 Si\n0.653958 0.332204 0.317503 Si\n0.346042 0.167796 0.817503 Si\n0.346042 0.667796 0.682497 Si\n",
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{
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