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{
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{
"id": "mp-1226611",
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{
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"structure_string": "Al3 Ni5\n1.0\n3.295058 -3.754748 0.000000\n3.295058 3.754748 0.000000\n0.000000 0.000000 3.740494\nAl Ni\n3 5\ndirect\n0.724468 0.275532 0.500000 Al\n0.275532 0.724468 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.774101 0.774101 0.500000 Ni\n0.225899 0.225899 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n",
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},
{
"id": "mp-1292614",
"created_at": "2022-09-04T14:44:08.643563Z",
"structure_string": "Sr4 La2 Mn4 O14\n1.0\n-3.879521 3.983319 0.000131\n-3.879949 -3.983750 -0.000141\n-1.939749 1.992012 10.049844\nSr La Mn O\n4 2 4 14\ndirect\n0.316861 0.000034 0.366353 Sr\n0.816999 0.500034 0.365958 Sr\n0.183037 0.500016 0.634070 Sr\n0.683190 0.999929 0.633624 Sr\n0.499997 0.000175 0.999974 La\n0.999885 0.499912 0.000004 La\n0.097615 0.000037 0.804788 Mn\n0.902202 0.000022 0.195136 Mn\n0.598875 0.499855 0.802335 Mn\n0.401049 0.499926 0.197801 Mn\n0.500151 0.499623 0.000015 O\n0.999866 0.000405 0.999996 O\n0.193444 0.000026 0.613562 O\n0.694218 0.499829 0.611377 O\n0.305492 0.500186 0.388653 O\n0.806840 0.999926 0.386408 O\n0.846322 0.754650 0.816396 O\n0.337248 0.245242 0.816437 O\n0.329005 0.762356 0.817861 O\n0.853397 0.237660 0.817675 O\n0.662788 0.754729 0.183547 O\n0.153689 0.245342 0.183629 O\n0.146811 0.762387 0.182071 O\n0.671017 0.237699 0.182328 O\n",
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"formula_full": "Sr4 La2 Mn4 O14",
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},
{
"id": "mp-849320",
"created_at": "2022-09-04T14:44:08.649021Z",
"structure_string": "Na8 Li8 V12 P8 O52\n1.0\n12.348698 0.000000 0.000000\n0.000000 8.813682 0.000000\n0.000000 0.340657 10.301829\nNa Li V P O\n8 8 12 8 52\ndirect\n0.472240 0.379563 0.715403 Na\n0.027760 0.879563 0.715403 Na\n0.471551 0.932237 0.798293 Na\n0.028449 0.432237 0.798293 Na\n0.528449 0.067763 0.201707 Na\n0.971551 0.567763 0.201707 Na\n0.527760 0.620437 0.284597 Na\n0.972240 0.120437 0.284597 Na\n0.913892 0.190204 0.736859 Li\n0.586108 0.690204 0.736859 Li\n0.263396 0.631507 0.757883 Li\n0.236604 0.131507 0.757883 Li\n0.763396 0.868493 0.242117 Li\n0.736604 0.368493 0.242117 Li\n0.413892 0.309796 0.263141 Li\n0.086108 0.809796 0.263141 Li\n0.122760 0.243013 0.526507 V\n0.377240 0.743013 0.526507 V\n0.743148 0.427374 0.747017 V\n0.756852 0.927374 0.747017 V\n0.142120 0.757966 0.974098 V\n0.357880 0.257966 0.974098 V\n0.642120 0.742034 0.025902 V\n0.857880 0.242034 0.025902 V\n0.243148 0.072626 0.252983 V\n0.256852 0.572626 0.252983 V\n0.877240 0.756987 0.473493 V\n0.622760 0.256987 0.473493 V\n0.373502 0.120264 0.522779 P\n0.126498 0.620264 0.522779 P\n0.115197 0.128317 0.980103 P\n0.384803 0.628317 0.980103 P\n0.615197 0.371683 0.019897 P\n0.884803 0.871683 0.019897 P\n0.873502 0.379736 0.477221 P\n0.626498 0.879736 0.477221 P\n0.281233 0.218756 0.580624 O\n0.218767 0.718756 0.580624 O\n0.481548 0.192394 0.562560 O\n0.018452 0.692394 0.562560 O\n0.139378 0.458214 0.584742 O\n0.360622 0.958214 0.584742 O\n0.856003 0.871527 0.612933 O\n0.643997 0.371527 0.612933 O\n0.629608 0.880988 0.628329 O\n0.870392 0.380988 0.628329 O\n0.430406 0.653797 0.663823 O\n0.069594 0.153797 0.663823 O\n0.759851 0.117907 0.743800 O\n0.740149 0.617907 0.743800 O\n0.396260 0.160533 0.843275 O\n0.103740 0.660533 0.843275 O\n0.617115 0.392904 0.871078 O\n0.882885 0.892904 0.871078 O\n0.653838 0.859328 0.876545 O\n0.846162 0.359328 0.876545 O\n0.354006 0.479229 0.909656 O\n0.145994 0.979229 0.909656 O\n0.497721 0.687363 0.936158 O\n0.002279 0.187363 0.936158 O\n0.301467 0.750084 0.928652 O\n0.198533 0.250084 0.928652 O\n0.801467 0.749916 0.071348 O\n0.698533 0.249916 0.071348 O\n0.997721 0.812637 0.063842 O\n0.502279 0.312637 0.063842 O\n0.854006 0.020771 0.090344 O\n0.645994 0.520771 0.090344 O\n0.346162 0.140672 0.123455 O\n0.153838 0.640672 0.123455 O\n0.117115 0.107096 0.128922 O\n0.382885 0.607096 0.128922 O\n0.896260 0.339467 0.156725 O\n0.603740 0.839467 0.156725 O\n0.259851 0.382093 0.256200 O\n0.240149 0.882093 0.256200 O\n0.569594 0.346203 0.336177 O\n0.930406 0.846203 0.336177 O\n0.370392 0.119012 0.371671 O\n0.129608 0.619012 0.371671 O\n0.356003 0.628473 0.387067 O\n0.143997 0.128473 0.387067 O\n0.639378 0.041786 0.415258 O\n0.860622 0.541786 0.415258 O\n0.981548 0.307606 0.437440 O\n0.518452 0.807606 0.437440 O\n0.718767 0.781244 0.419376 O\n0.781233 0.281244 0.419376 O\n",
"nsites": 88,
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"elements": [
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],
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"density_atomic": 0.07848556495491311,
"volume": 1121.225285828707,
"volume_molar": 7.672927835149668,
"formula_full": "Na8 Li8 V12 P8 O52",
"formula_reduced": "Na2Li2V3P2O13",
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{
"id": "mp-1203622",
"created_at": "2022-09-04T14:44:08.655251Z",
"structure_string": "Li8 Te4 Mo4 O24\n1.0\n13.246263 0.000000 0.000000\n0.000000 5.461342 0.000000\n0.000000 4.903462 7.087049\nLi Te Mo O\n8 4 4 24\ndirect\n0.568889 0.466043 0.734304 Li\n0.931111 0.466043 0.234304 Li\n0.431111 0.533957 0.265696 Li\n0.068889 0.533957 0.765696 Li\n0.353444 0.758526 0.483704 Li\n0.146556 0.758526 0.983704 Li\n0.646556 0.241474 0.516296 Li\n0.853444 0.241474 0.016296 Li\n0.707134 0.685579 0.066303 Te\n0.792866 0.685579 0.566303 Te\n0.292866 0.314421 0.933697 Te\n0.207134 0.314421 0.433697 Te\n0.591236 0.027191 0.253632 Mo\n0.908764 0.027191 0.753632 Mo\n0.408764 0.972809 0.746368 Mo\n0.091236 0.972809 0.246368 Mo\n0.479703 0.804241 0.336837 O\n0.020297 0.804241 0.836837 O\n0.520297 0.195759 0.663163 O\n0.979703 0.195759 0.163163 O\n0.591392 0.188801 0.007434 O\n0.908608 0.188801 0.507434 O\n0.408608 0.811199 0.992566 O\n0.091392 0.811199 0.492566 O\n0.554549 0.337377 0.264027 O\n0.945451 0.337377 0.764027 O\n0.445451 0.662623 0.735973 O\n0.054549 0.662623 0.235973 O\n0.692135 0.693574 0.290209 O\n0.807865 0.693574 0.790209 O\n0.307865 0.306426 0.709791 O\n0.192135 0.306426 0.209791 O\n0.844105 0.833440 0.033175 O\n0.655895 0.833440 0.533175 O\n0.155895 0.166560 0.966825 O\n0.344105 0.166560 0.466825 O\n0.749568 0.283788 0.190662 O\n0.750432 0.283788 0.690662 O\n0.250432 0.716212 0.809338 O\n0.249568 0.716212 0.309338 O\n",
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{
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"structure_string": "Nd2 Al4 Ni2\n1.0\n2.038727 -5.456783 0.000000\n2.038727 5.456783 0.000000\n0.000000 0.000000 6.903883\nNd Al Ni\n2 4 2\ndirect\n0.553989 0.446011 0.250000 Nd\n0.446011 0.553989 0.750000 Nd\n0.830763 0.169237 0.056708 Al\n0.169237 0.830763 0.943292 Al\n0.169237 0.830763 0.556708 Al\n0.830763 0.169237 0.443292 Al\n0.280545 0.719455 0.250000 Ni\n0.719455 0.280545 0.750000 Ni\n",
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{
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{
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"structure_string": "Al2 Cu6 O12\n1.0\n9.346564 0.467304 -0.017545\n-1.422886 2.475700 -0.014336\n-0.022897 -0.074586 11.228610\nAl Cu O\n2 6 12\ndirect\n0.663701 0.997784 0.000350 Al\n0.003063 0.007236 0.501081 Al\n0.225370 0.334203 0.753468 Cu\n0.564003 0.335069 0.747716 Cu\n0.878751 0.324640 0.748754 Cu\n0.107750 0.662355 0.250703 Cu\n0.439909 0.662504 0.250362 Cu\n0.780761 0.677040 0.249723 Cu\n0.081750 0.621282 0.407853 O\n0.434193 0.638617 0.404327 O\n0.819790 0.734035 0.400501 O\n0.227898 0.341732 0.906456 O\n0.583145 0.374259 0.905632 O\n0.845859 0.269909 0.899509 O\n0.115444 0.680578 0.099817 O\n0.479820 0.728068 0.096888 O\n0.744511 0.621642 0.094352 O\n0.185948 0.279374 0.599900 O\n0.547444 0.302685 0.596424 O\n0.923099 0.391065 0.594392 O\n",
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{
"id": "mp-753688",
"created_at": "2022-09-04T14:44:08.674064Z",
"structure_string": "Mn4 Cd16 O20\n1.0\n-0.000369 4.721020 4.721065\n-4.744343 7.110371 -7.110104\n-7.109930 -0.002264 2.363366\nMn Cd O\n4 16 20\ndirect\n0.602589 0.600666 0.598376 Mn\n0.497308 0.001420 0.000147 Mn\n0.102617 0.600687 0.598360 Mn\n0.997319 0.001373 0.000145 Mn\n0.300261 0.800668 0.799560 Cd\n0.800258 0.800667 0.799558 Cd\n0.050542 0.301076 0.799108 Cd\n0.550545 0.301078 0.799105 Cd\n0.148311 0.897218 0.402815 Cd\n0.648318 0.897215 0.402819 Cd\n0.451273 0.704911 0.195951 Cd\n0.951272 0.704909 0.195953 Cd\n0.348220 0.099241 0.600264 Cd\n0.848225 0.099239 0.600263 Cd\n0.251632 0.502360 0.998694 Cd\n0.751636 0.502357 0.998692 Cd\n0.400338 0.403671 0.398694 Cd\n0.900336 0.403671 0.398694 Cd\n0.198752 0.198233 0.199943 Cd\n0.698759 0.198236 0.199942 Cd\n0.028789 0.649678 0.890953 O\n0.528785 0.649672 0.890956 O\n0.071857 0.951604 0.707597 O\n0.571860 0.951605 0.707589 O\n0.376715 0.740222 0.505812 O\n0.876720 0.740228 0.505808 O\n0.224794 0.861712 0.092926 O\n0.724804 0.861715 0.092923 O\n0.271275 0.141118 0.906180 O\n0.771278 0.141116 0.906179 O\n0.327444 0.460661 0.692236 O\n0.827437 0.460660 0.692236 O\n0.122884 0.251196 0.501119 O\n0.622885 0.251198 0.501118 O\n0.475974 0.350506 0.097600 O\n0.975979 0.350507 0.097596 O\n0.174957 0.555855 0.305437 O\n0.674958 0.555854 0.305432 O\n0.424059 0.046190 0.293089 O\n0.924064 0.046188 0.293082 O\n",
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}