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{
"id": "mp-1178090",
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"structure_string": "Li12 Mn7 V1 P12 O48\n1.0\n8.639473 0.000000 0.000000\n0.098314 8.735918 0.000000\n0.498354 0.079850 12.291735\nLi Mn V P O\n12 7 1 12 48\ndirect\n0.919468 0.081455 0.696150 Li\n0.920037 0.696629 0.760115 Li\n0.792366 0.781935 0.173871 Li\n0.709474 0.278667 0.326596 Li\n0.576881 0.193657 0.738563 Li\n0.576846 0.584652 0.803104 Li\n0.421112 0.419253 0.198095 Li\n0.419868 0.804879 0.263205 Li\n0.292254 0.718517 0.671882 Li\n0.206540 0.216983 0.827741 Li\n0.083428 0.305675 0.237135 Li\n0.081344 0.918093 0.303050 Li\n0.746947 0.037546 0.898152 Mn\n0.752019 0.458730 0.110083 Mn\n0.748791 0.957621 0.390899 Mn\n0.251983 0.040155 0.608841 Mn\n0.247446 0.542894 0.890107 Mn\n0.252452 0.962791 0.101741 Mn\n0.248770 0.462957 0.397996 Mn\n0.752000 0.531436 0.607430 V\n0.965135 0.249806 0.493525 P\n0.893947 0.383371 0.855048 P\n0.899932 0.098709 0.154736 P\n0.602951 0.598404 0.347627 P\n0.602595 0.885822 0.641169 P\n0.539730 0.752450 0.005189 P\n0.459975 0.249141 0.996077 P\n0.397789 0.115997 0.359626 P\n0.395224 0.399912 0.657017 P\n0.099801 0.900800 0.844887 P\n0.105080 0.617178 0.140823 P\n0.039210 0.746827 0.505019 P\n0.952133 0.865191 0.433741 O\n0.917883 0.892816 0.849588 O\n0.929427 0.678594 0.595728 O\n0.929588 0.596198 0.166944 O\n0.898073 0.367644 0.575307 O\n0.856341 0.214218 0.822446 O\n0.856330 0.404652 0.977582 O\n0.859575 0.976562 0.246725 O\n0.849635 0.261088 0.192924 O\n0.833155 0.174966 0.434478 O\n0.829559 0.043933 0.052353 O\n0.801655 0.501895 0.786402 O\n0.695219 0.005593 0.702508 O\n0.673910 0.545372 0.451975 O\n0.671744 0.675153 0.066067 O\n0.650984 0.758791 0.306061 O\n0.635254 0.897120 0.517280 O\n0.639450 0.717856 0.678718 O\n0.644749 0.475128 0.256292 O\n0.604616 0.872766 0.923656 O\n0.569693 0.179980 0.904111 O\n0.576463 0.392147 0.651900 O\n0.574705 0.093542 0.333944 O\n0.545881 0.363188 0.067475 O\n0.454445 0.637646 0.934565 O\n0.425250 0.908382 0.666173 O\n0.420781 0.605145 0.351390 O\n0.429815 0.821936 0.096930 O\n0.394925 0.127965 0.076721 O\n0.357546 0.524392 0.748177 O\n0.361088 0.285318 0.322743 O\n0.365856 0.105398 0.483434 O\n0.345749 0.239836 0.697466 O\n0.327306 0.327391 0.936062 O\n0.323785 0.457687 0.554705 O\n0.304673 0.996853 0.298075 O\n0.200101 0.496628 0.202794 O\n0.170979 0.956609 0.946972 O\n0.173269 0.821299 0.561956 O\n0.151071 0.738778 0.806093 O\n0.138789 0.022238 0.752449 O\n0.135706 0.604291 0.016679 O\n0.142564 0.785731 0.176275 O\n0.101634 0.627186 0.421460 O\n0.069332 0.403697 0.831498 O\n0.074205 0.320539 0.402555 O\n0.081919 0.106234 0.150684 O\n0.051794 0.131488 0.564443 O\n",
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"elements": [
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],
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"density": 2.9685481920721672,
"density_atomic": 0.08623448970738826,
"volume": 927.7030602425643,
"volume_molar": 6.983448015329352,
"formula_full": "Li12 Mn7 V1 P12 O48",
"formula_reduced": "Li12Mn7V(PO4)12",
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"updated_at": "2021-11-28T01:36:20.025000Z",
"spacegroup": 1
},
{
"id": "mp-695597",
"created_at": "2022-09-04T14:43:49.578830Z",
"structure_string": "Na4 Mg12 Si16 O44 F4\n1.0\n8.067298 0.000000 0.000000\n1.834891 10.135594 0.000000\n2.260266 0.997634 10.704866\nNa Mg Si O F\n4 12 16 44 4\ndirect\n0.755180 0.277302 0.228810 Na\n0.496518 0.221152 0.544493 Na\n0.244820 0.722698 0.771190 Na\n0.503482 0.778848 0.455507 Na\n0.878524 0.737274 0.704854 Mg\n0.099252 0.759662 0.039287 Mg\n0.446746 0.848343 0.137811 Mg\n0.121476 0.262726 0.295146 Mg\n0.816652 0.004530 0.478048 Mg\n0.183348 0.995470 0.521952 Mg\n0.553254 0.151657 0.862189 Mg\n0.900748 0.240338 0.960713 Mg\n0.895700 0.276679 0.675591 Mg\n0.425817 0.308576 0.071438 Mg\n0.574183 0.691424 0.928562 Mg\n0.104300 0.723321 0.324409 Mg\n0.193633 0.087764 0.035007 Si\n0.521217 0.936967 0.697004 Si\n0.865279 0.010651 0.710856 Si\n0.223650 0.095788 0.742506 Si\n0.776350 0.904212 0.257494 Si\n0.134721 0.989349 0.289144 Si\n0.740776 0.523555 0.562917 Si\n0.478783 0.063033 0.302996 Si\n0.029062 0.480664 0.114830 Si\n0.806367 0.912236 0.964993 Si\n0.477294 0.565914 0.187683 Si\n0.792994 0.598016 0.288248 Si\n0.207006 0.401984 0.711752 Si\n0.522706 0.434086 0.812317 Si\n0.970938 0.519336 0.885170 Si\n0.259224 0.476445 0.437083 Si\n0.759098 0.656434 0.608619 O\n0.138167 0.090661 0.895393 O\n0.212588 0.931443 0.106131 O\n0.984727 0.837800 0.886112 O\n0.861833 0.909339 0.104607 O\n0.003238 0.631519 0.192220 O\n0.381741 0.087036 0.441554 O\n0.643792 0.634576 0.198573 O\n0.369793 0.148965 0.002928 O\n0.022031 0.097989 0.393959 O\n0.241766 0.860466 0.365287 O\n0.300553 0.949900 0.673062 O\n0.699447 0.050100 0.326938 O\n0.758234 0.139534 0.634713 O\n0.977969 0.902011 0.606041 O\n0.630207 0.851035 0.997072 O\n0.288139 0.087514 0.238606 O\n0.356208 0.365424 0.801427 O\n0.779805 0.750342 0.336890 O\n0.655978 0.416543 0.673373 O\n0.618259 0.912964 0.558446 O\n0.996762 0.368481 0.807780 O\n0.015273 0.162200 0.113888 O\n0.323882 0.460834 0.569307 O\n0.220195 0.249658 0.663110 O\n0.442000 0.086361 0.748923 O\n0.805246 0.623678 0.861232 O\n0.787412 0.068557 0.893869 O\n0.029094 0.096622 0.700577 O\n0.240902 0.343566 0.391381 O\n0.108818 0.560906 0.741607 O\n0.467006 0.580400 0.846135 O\n0.617672 0.319919 0.906740 O\n0.905921 0.423765 0.025820 O\n0.094079 0.576235 0.974180 O\n0.382328 0.680081 0.093260 O\n0.532994 0.419600 0.153865 O\n0.891182 0.439094 0.258393 O\n0.970906 0.903378 0.299423 O\n0.194754 0.376322 0.138768 O\n0.558000 0.913639 0.251077 O\n0.676118 0.539166 0.430693 O\n0.344022 0.583457 0.326627 O\n0.711861 0.912486 0.761394 O\n0.450006 0.826619 0.819452 F\n0.549994 0.173381 0.180548 F\n0.921858 0.408983 0.533334 F\n0.078142 0.591017 0.466666 F\n",
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"elements": [
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],
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"density_atomic": 0.0913968959153971,
"volume": 875.3032496207879,
"volume_molar": 6.588999221127253,
"formula_full": "Na4 Mg12 Si16 O44 F4",
"formula_reduced": "NaMg3Si4O11F",
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"spacegroup": 2
},
{
"id": "mp-554282",
"created_at": "2022-09-04T14:43:49.480765Z",
"structure_string": "Lu12 B20 O48\n1.0\n4.587070 0.000000 0.000000\n0.000000 12.491462 0.000000\n0.000000 0.000000 12.785054\nLu B O\n12 20 48\ndirect\n0.996325 0.693355 0.635415 Lu\n0.000000 0.500000 0.868139 Lu\n0.000000 0.000000 0.631861 Lu\n0.000000 0.500000 0.131861 Lu\n0.996325 0.806645 0.135415 Lu\n0.000000 0.000000 0.368139 Lu\n0.003675 0.306645 0.635415 Lu\n0.003675 0.306645 0.364585 Lu\n0.996325 0.806645 0.864585 Lu\n0.003675 0.193355 0.135415 Lu\n0.996325 0.693355 0.364585 Lu\n0.003675 0.193355 0.864585 Lu\n0.457900 0.127053 0.000000 B\n0.532410 0.150963 0.298091 B\n0.467590 0.849037 0.701909 B\n0.500000 0.500000 0.338261 B\n0.457900 0.372947 0.500000 B\n0.500000 0.000000 0.838261 B\n0.532410 0.349037 0.201909 B\n0.467590 0.849037 0.298091 B\n0.467590 0.650963 0.798091 B\n0.467590 0.650963 0.201909 B\n0.538648 0.851151 0.500000 B\n0.532410 0.349037 0.798091 B\n0.542100 0.627053 0.500000 B\n0.500000 0.500000 0.661739 B\n0.461352 0.148849 0.500000 B\n0.532410 0.150963 0.701909 B\n0.538648 0.648849 0.000000 B\n0.542100 0.872947 0.000000 B\n0.461352 0.351151 0.000000 B\n0.500000 0.000000 0.161739 B\n0.665294 0.925133 0.096153 O\n0.692940 0.064263 0.766673 O\n0.692940 0.435737 0.266673 O\n0.762192 0.141086 0.000000 O\n0.780048 0.847879 0.704216 O\n0.307060 0.564263 0.733327 O\n0.780048 0.652121 0.795784 O\n0.762192 0.358914 0.500000 O\n0.665294 0.574867 0.403847 O\n0.237808 0.858914 0.000000 O\n0.761060 0.930658 0.500000 O\n0.219952 0.152121 0.704216 O\n0.307060 0.564263 0.266673 O\n0.238940 0.430658 0.000000 O\n0.761060 0.569342 0.000000 O\n0.219952 0.347879 0.204216 O\n0.238940 0.069342 0.500000 O\n0.237808 0.641086 0.500000 O\n0.660350 0.355493 0.094855 O\n0.663004 0.250000 0.750000 O\n0.334706 0.425133 0.403847 O\n0.339650 0.855493 0.405145 O\n0.307060 0.935737 0.766673 O\n0.665294 0.925133 0.903847 O\n0.339650 0.855493 0.594855 O\n0.660350 0.144507 0.594855 O\n0.692940 0.064263 0.233327 O\n0.692940 0.435737 0.733327 O\n0.334706 0.074867 0.903847 O\n0.698703 0.738852 0.500000 O\n0.307060 0.935737 0.233327 O\n0.219952 0.152121 0.295784 O\n0.780048 0.652121 0.204216 O\n0.336996 0.750000 0.750000 O\n0.334706 0.425133 0.596153 O\n0.660350 0.144507 0.405145 O\n0.301297 0.238852 0.000000 O\n0.339650 0.644507 0.094855 O\n0.660350 0.355493 0.905145 O\n0.336996 0.750000 0.250000 O\n0.301297 0.261148 0.500000 O\n0.219952 0.347879 0.795784 O\n0.663004 0.250000 0.250000 O\n0.339650 0.644507 0.905145 O\n0.780048 0.847879 0.295784 O\n0.334706 0.074867 0.096153 O\n0.665294 0.574867 0.596153 O\n0.698703 0.761148 0.000000 O\n",
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{
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"structure_string": "Li40 B8 O32\n1.0\n8.504129 0.000000 0.000000\n0.000000 8.789478 0.000000\n0.000000 0.000000 8.877838\nLi B O\n40 8 32\ndirect\n0.850279 0.383312 0.103997 Li\n0.350279 0.116688 0.103997 Li\n0.159943 0.891882 0.111666 Li\n0.659943 0.608118 0.111666 Li\n0.638699 0.153501 0.121127 Li\n0.138699 0.346499 0.121127 Li\n0.914319 0.119261 0.142499 Li\n0.414319 0.380739 0.142499 Li\n0.598584 0.879197 0.159748 Li\n0.098584 0.620803 0.159748 Li\n0.098584 0.120803 0.340252 Li\n0.598584 0.379197 0.340252 Li\n0.414319 0.880739 0.357501 Li\n0.914319 0.619261 0.357501 Li\n0.138699 0.846499 0.378873 Li\n0.638699 0.653501 0.378873 Li\n0.159943 0.391882 0.388334 Li\n0.659943 0.108118 0.388334 Li\n0.850279 0.883312 0.396003 Li\n0.350279 0.616688 0.396003 Li\n0.649721 0.383312 0.603997 Li\n0.149721 0.116688 0.603997 Li\n0.340057 0.891882 0.611666 Li\n0.840057 0.608118 0.611666 Li\n0.361301 0.346499 0.621127 Li\n0.861301 0.153501 0.621127 Li\n0.085681 0.380739 0.642499 Li\n0.585681 0.119261 0.642499 Li\n0.901416 0.879197 0.659748 Li\n0.401416 0.620803 0.659748 Li\n0.901416 0.379197 0.840252 Li\n0.401416 0.120803 0.840252 Li\n0.585681 0.619261 0.857501 Li\n0.085681 0.880739 0.857501 Li\n0.361301 0.846499 0.878873 Li\n0.861301 0.653501 0.878873 Li\n0.340057 0.391882 0.888334 Li\n0.840057 0.108118 0.888334 Li\n0.649721 0.883312 0.896003 Li\n0.149721 0.616688 0.896003 Li\n0.882736 0.856887 0.133428 B\n0.382736 0.643113 0.133428 B\n0.882736 0.356887 0.366572 B\n0.382736 0.143113 0.366572 B\n0.617264 0.856887 0.633428 B\n0.117264 0.643113 0.633428 B\n0.617264 0.356887 0.866572 B\n0.117264 0.143113 0.866572 B\n0.483347 0.732820 0.025779 O\n0.983347 0.767180 0.025779 O\n0.775160 0.970668 0.051444 O\n0.275160 0.529332 0.051444 O\n0.991346 0.947687 0.241194 O\n0.491346 0.552313 0.241194 O\n0.781660 0.756316 0.231422 O\n0.281660 0.743684 0.231422 O\n0.781660 0.256316 0.268578 O\n0.281660 0.243684 0.268578 O\n0.991346 0.447687 0.258806 O\n0.491346 0.052313 0.258806 O\n0.775160 0.470668 0.448556 O\n0.275160 0.029332 0.448556 O\n0.483347 0.232820 0.474221 O\n0.983347 0.267180 0.474221 O\n0.016653 0.732820 0.525779 O\n0.516653 0.767180 0.525779 O\n0.724840 0.970668 0.551444 O\n0.224840 0.529332 0.551444 O\n0.508654 0.947687 0.741194 O\n0.008654 0.552313 0.741194 O\n0.718340 0.756316 0.731422 O\n0.218340 0.743684 0.731422 O\n0.718340 0.256316 0.768578 O\n0.218340 0.243684 0.768578 O\n0.508654 0.447687 0.758806 O\n0.008654 0.052313 0.758806 O\n0.224840 0.029332 0.948556 O\n0.724840 0.470668 0.948556 O\n0.016653 0.232820 0.974221 O\n0.516653 0.267180 0.974221 O\n",
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"volume": 663.5904675214191,
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"formula_full": "Li40 B8 O32",
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{
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{
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"structure_string": "Ca12 Sc4 Fe4 Si12 O48\n1.0\n-6.110301 6.110301 6.110301\n6.110301 -6.110301 6.110301\n6.110301 6.110301 -6.110301\nCa Sc Fe Si O\n12 4 4 12 48\ndirect\n0.123934 0.373934 0.750000 Ca\n0.376066 0.126066 0.250000 Ca\n0.250000 0.376066 0.126066 Ca\n0.750000 0.123934 0.373934 Ca\n0.126066 0.250000 0.376066 Ca\n0.373934 0.750000 0.123934 Ca\n0.876066 0.626066 0.250000 Ca\n0.623934 0.873934 0.750000 Ca\n0.750000 0.623934 0.873934 Ca\n0.250000 0.876066 0.626066 Ca\n0.873934 0.750000 0.623934 Ca\n0.626066 0.250000 0.876066 Ca\n0.500000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.876630 0.126630 0.750000 Si\n0.623370 0.373370 0.250000 Si\n0.250000 0.623370 0.373370 Si\n0.750000 0.876630 0.126630 Si\n0.373370 0.250000 0.623370 Si\n0.126630 0.750000 0.876630 Si\n0.123370 0.873370 0.250000 Si\n0.376630 0.626630 0.750000 Si\n0.750000 0.376630 0.626630 Si\n0.250000 0.123370 0.873370 Si\n0.626630 0.750000 0.376630 Si\n0.873370 0.250000 0.123370 Si\n0.801252 0.510260 0.392470 O\n0.617790 0.408782 0.107530 O\n0.698748 0.091218 0.709008 O\n0.882210 0.989740 0.790992 O\n0.709008 0.698748 0.091218 O\n0.790992 0.882210 0.989740 O\n0.392470 0.801252 0.510260 O\n0.107530 0.617790 0.408782 O\n0.989740 0.790992 0.882210 O\n0.091218 0.709008 0.698748 O\n0.408782 0.107530 0.617790 O\n0.510260 0.392470 0.801252 O\n0.198748 0.489740 0.607530 O\n0.382210 0.591218 0.892470 O\n0.301252 0.908782 0.290992 O\n0.117790 0.010260 0.209008 O\n0.290992 0.301252 0.908782 O\n0.209008 0.117790 0.010260 O\n0.607530 0.198748 0.489740 O\n0.892470 0.382210 0.591218 O\n0.010260 0.209008 0.117790 O\n0.908782 0.290992 0.301252 O\n0.591218 0.892470 0.382210 O\n0.489740 0.607530 0.198748 O\n0.298598 0.490976 0.384289 O\n0.201402 0.585691 0.192378 O\n0.606687 0.914309 0.115711 O\n0.893313 0.009024 0.307622 O\n0.009024 0.307622 0.893313 O\n0.914309 0.115711 0.606687 O\n0.585691 0.192378 0.201402 O\n0.490976 0.384289 0.298598 O\n0.192378 0.201402 0.585691 O\n0.384289 0.298598 0.490976 O\n0.307622 0.893313 0.009024 O\n0.115711 0.606687 0.914309 O\n0.701402 0.509024 0.615711 O\n0.798598 0.414309 0.807622 O\n0.393313 0.085691 0.884289 O\n0.106687 0.990976 0.692378 O\n0.990976 0.692378 0.106687 O\n0.085691 0.884289 0.393313 O\n0.414309 0.807622 0.798598 O\n0.509024 0.615711 0.701402 O\n0.807622 0.798598 0.414309 O\n0.615711 0.701402 0.509024 O\n0.692378 0.106687 0.990976 O\n0.884289 0.393313 0.085691 O\n",
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{
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{
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