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{
"id": "mp-1044622",
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"structure_string": "Mg6 Ti12 O24\n1.0\n3.005584 -5.205824 0.000000\n3.005584 5.205824 0.000000\n0.000000 0.000000 14.931031\nMg Ti O\n6 12 24\ndirect\n0.000000 0.000000 0.045152 Mg\n0.333333 0.666667 0.371407 Mg\n0.333333 0.666667 0.003444 Mg\n0.666667 0.333333 0.704908 Mg\n0.000000 0.000000 0.292137 Mg\n0.333333 0.666667 0.625788 Mg\n0.990105 0.495052 0.166847 Ti\n0.504948 0.009895 0.166847 Ti\n0.334064 0.167032 0.499759 Ti\n0.504948 0.495052 0.166847 Ti\n0.666667 0.333333 0.340390 Ti\n0.832968 0.665936 0.499759 Ti\n0.676503 0.838251 0.830551 Ti\n0.832968 0.167032 0.499759 Ti\n0.161749 0.838251 0.830551 Ti\n0.000000 0.000000 0.665539 Ti\n0.161749 0.323497 0.830551 Ti\n0.666667 0.333333 0.952989 Ti\n0.178422 0.356844 0.091441 O\n0.333333 0.666667 0.239512 O\n0.178422 0.821578 0.091441 O\n0.643156 0.821578 0.091441 O\n0.359639 0.179820 0.249610 O\n0.508658 0.017315 0.419614 O\n0.820180 0.179820 0.249610 O\n0.666667 0.333333 0.080785 O\n0.508658 0.491342 0.419614 O\n0.666667 0.333333 0.573727 O\n0.820180 0.640361 0.249610 O\n0.982685 0.491342 0.419614 O\n0.689233 0.844617 0.580550 O\n0.842026 0.684052 0.751095 O\n0.155383 0.844617 0.580550 O\n0.000000 0.000000 0.425094 O\n0.000000 0.000000 0.910787 O\n0.842026 0.157974 0.751095 O\n0.155383 0.310767 0.580550 O\n0.315948 0.157974 0.751095 O\n0.013683 0.506842 0.913600 O\n0.333333 0.666667 0.758710 O\n0.493158 0.506842 0.913600 O\n0.493158 0.986317 0.913600 O\n",
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{
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"structure_string": "Li5 Cr3 P4 O16\n1.0\n5.011705 0.000000 0.000000\n-2.065974 7.746967 0.000000\n-0.083197 -3.063121 8.022893\nLi Cr P O\n5 3 4 16\ndirect\n0.167215 0.897836 0.895296 Li\n0.830833 0.097996 0.105645 Li\n0.231559 0.019738 0.290987 Li\n0.764479 0.969502 0.703226 Li\n0.599953 0.758417 0.287377 Li\n0.002667 0.506400 0.009195 Cr\n0.500867 0.503786 0.497199 Cr\n0.409500 0.247975 0.719945 Cr\n0.588084 0.696553 0.908882 P\n0.412018 0.303666 0.097062 P\n0.128578 0.793097 0.527902 P\n0.871462 0.205074 0.463358 P\n0.739688 0.668763 0.051878 O\n0.252719 0.331381 0.952195 O\n0.239640 0.823449 0.371972 O\n0.768153 0.175897 0.624828 O\n0.800973 0.736912 0.509122 O\n0.200940 0.267433 0.488930 O\n0.242082 0.655167 0.576837 O\n0.755635 0.347700 0.424640 O\n0.289496 0.703633 0.950051 O\n0.707524 0.296127 0.048619 O\n0.584234 0.527380 0.743690 O\n0.409584 0.469194 0.256739 O\n0.743620 0.878969 0.888708 O\n0.255839 0.116321 0.108358 O\n0.210330 0.977285 0.687838 O\n0.792328 0.024349 0.309519 O\n",
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"volume": 311.4929384646833,
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"formula_full": "Li5 Cr3 P4 O16",
"formula_reduced": "Li5Cr3(PO4)4",
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"spacegroup": 1
},
{
"id": "mp-753865",
"created_at": "2022-09-04T14:46:31.611644Z",
"structure_string": "Li4 V4 P8 H4 O28\n1.0\n6.541981 -0.061177 0.025268\n-0.724779 3.730730 5.411575\n0.392679 -11.242688 5.579968\nLi V P H O\n4 4 8 4 28\ndirect\n0.119744 0.686997 0.425302 Li\n0.119732 0.186978 0.925312 Li\n0.880309 0.812990 0.074725 Li\n0.880143 0.312964 0.574676 Li\n0.350779 0.739168 0.641203 V\n0.649319 0.260881 0.358787 V\n0.350579 0.239155 0.141201 V\n0.649641 0.760879 0.858751 V\n0.154653 0.156460 0.383045 P\n0.154879 0.656423 0.883058 P\n0.845213 0.343543 0.116952 P\n0.845304 0.843558 0.616935 P\n0.390362 0.728617 0.089981 P\n0.390285 0.228678 0.589943 P\n0.609631 0.771390 0.410034 P\n0.609654 0.271319 0.910043 P\n0.172283 0.905329 0.248883 H\n0.172345 0.405349 0.748870 H\n0.827630 0.594671 0.251117 H\n0.827668 0.094640 0.751132 H\n0.094509 0.929996 0.324633 O\n0.094641 0.429983 0.824638 O\n0.905397 0.569996 0.175367 O\n0.905390 0.070023 0.675372 O\n0.029913 0.222759 0.088914 O\n0.030036 0.722858 0.588883 O\n0.969933 0.277177 0.411097 O\n0.970201 0.777237 0.911104 O\n0.237613 0.110413 0.493085 O\n0.237806 0.610298 0.993083 O\n0.762265 0.389635 0.006926 O\n0.762247 0.889622 0.506931 O\n0.271661 0.909158 0.142492 O\n0.271718 0.409269 0.642483 O\n0.728233 0.590829 0.357505 O\n0.728319 0.090751 0.857541 O\n0.324388 0.266183 0.318723 O\n0.324656 0.766064 0.818735 O\n0.675429 0.233889 0.181273 O\n0.675575 0.733833 0.681263 O\n0.401923 0.566418 0.161249 O\n0.402023 0.066460 0.661183 O\n0.597953 0.933676 0.338792 O\n0.598032 0.433516 0.838779 O\n0.408943 0.698434 0.466654 O\n0.408929 0.198363 0.966667 O\n0.591116 0.801547 0.033370 O\n0.590995 0.301614 0.533308 O\n",
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"elements": [
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"density_atomic": 0.08988821815185681,
"volume": 533.9965680364137,
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"formula_full": "Li4 V4 P8 H4 O28",
"formula_reduced": "LiVP2HO7",
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{
"id": "mp-17481",
"created_at": "2022-09-04T14:42:41.431203Z",
"structure_string": "Mg8 Ta4 O18\n1.0\n2.605996 -4.513718 0.000000\n2.605996 4.513718 0.000000\n0.000000 0.000000 14.186694\nMg Ta O\n8 4 18\ndirect\n0.333333 0.666667 0.016510 Mg\n0.666667 0.333333 0.483490 Mg\n0.666667 0.333333 0.983490 Mg\n0.333333 0.666667 0.516510 Mg\n0.333333 0.666667 0.808926 Mg\n0.666667 0.333333 0.691074 Mg\n0.666667 0.333333 0.191074 Mg\n0.333333 0.666667 0.308926 Mg\n0.000000 0.000000 0.357116 Ta\n0.000000 0.000000 0.142884 Ta\n0.000000 0.000000 0.642884 Ta\n0.000000 0.000000 0.857116 Ta\n0.288149 0.288149 0.750000 O\n0.000000 0.711851 0.750000 O\n0.711851 0.000000 0.750000 O\n0.711851 0.711851 0.250000 O\n0.000000 0.288149 0.250000 O\n0.288149 0.000000 0.250000 O\n0.682923 0.654113 0.584722 O\n0.345887 0.028809 0.584722 O\n0.971191 0.317077 0.584722 O\n0.028809 0.345887 0.915278 O\n0.317077 0.971191 0.915278 O\n0.654113 0.682923 0.915278 O\n0.345887 0.317077 0.084722 O\n0.682923 0.028809 0.084722 O\n0.971191 0.654113 0.084722 O\n0.028809 0.682923 0.415278 O\n0.654113 0.971191 0.415278 O\n0.317077 0.345887 0.415278 O\n",
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{
"id": "mp-1104680",
"created_at": "2022-09-04T14:39:42.595233Z",
"structure_string": "Cr4 Fe2 O8\n1.0\n-3.052219 3.046529 -4.218722\n3.012568 -3.046048 -4.189598\n-3.060214 -3.054033 -4.218351\nCr Fe O\n4 2 8\ndirect\n0.999994 0.999982 0.500010 Cr\n0.000004 0.500004 0.999998 Cr\n0.000005 0.500004 0.499998 Cr\n0.499997 0.500004 0.000002 Cr\n0.625323 0.875219 0.250052 Fe\n0.374678 0.124780 0.749955 Fe\n0.758555 0.730344 0.528686 O\n0.231671 0.259651 0.027430 O\n0.787118 0.260145 0.471504 O\n0.760061 0.288795 0.970826 O\n0.241444 0.269658 0.471313 O\n0.768327 0.740353 0.972564 O\n0.212881 0.739853 0.528493 O\n0.239942 0.711210 0.029171 O\n",
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{
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"created_at": "2022-09-04T14:40:11.285209Z",
"structure_string": "Li8 Cr12 Sb4 O32\n1.0\n8.540764 0.000000 0.000000\n0.000000 8.540764 0.000000\n0.000000 0.000000 8.540764\nLi Cr Sb O\n8 12 4 32\ndirect\n0.496887 0.496887 0.496887 Li\n0.753113 0.753113 0.753113 Li\n0.746887 0.246887 0.253113 Li\n0.003113 0.503113 0.996887 Li\n0.996887 0.003113 0.503113 Li\n0.253113 0.746887 0.246887 Li\n0.246887 0.253113 0.746887 Li\n0.503113 0.996887 0.003113 Li\n0.620536 0.629464 0.125000 Cr\n0.625000 0.879464 0.370536 Cr\n0.629464 0.125000 0.620536 Cr\n0.870536 0.875000 0.120536 Cr\n0.875000 0.120536 0.870536 Cr\n0.879464 0.370536 0.625000 Cr\n0.120536 0.870536 0.875000 Cr\n0.125000 0.620536 0.629464 Cr\n0.129464 0.375000 0.379464 Cr\n0.370536 0.625000 0.879464 Cr\n0.375000 0.379464 0.129464 Cr\n0.379464 0.129464 0.375000 Cr\n0.625000 0.375000 0.875000 Sb\n0.875000 0.625000 0.375000 Sb\n0.125000 0.125000 0.125000 Sb\n0.375000 0.875000 0.625000 Sb\n0.612582 0.611548 0.886539 O\n0.613461 0.387418 0.111548 O\n0.612157 0.112157 0.387843 O\n0.638452 0.637418 0.363461 O\n0.611548 0.886539 0.612582 O\n0.637843 0.862157 0.137843 O\n0.636539 0.138452 0.862582 O\n0.637418 0.363461 0.638452 O\n0.862582 0.636539 0.138452 O\n0.863461 0.861548 0.362582 O\n0.862157 0.137843 0.637843 O\n0.888452 0.113461 0.112582 O\n0.861548 0.362582 0.863461 O\n0.887843 0.887843 0.887843 O\n0.886539 0.612582 0.611548 O\n0.887418 0.388452 0.386539 O\n0.112582 0.888452 0.113461 O\n0.113461 0.112582 0.888452 O\n0.112157 0.387843 0.612157 O\n0.138452 0.862582 0.636539 O\n0.111548 0.613461 0.387418 O\n0.137843 0.637843 0.862157 O\n0.136539 0.361548 0.137418 O\n0.137418 0.136539 0.361548 O\n0.362582 0.863461 0.861548 O\n0.363461 0.638452 0.637418 O\n0.362157 0.362157 0.362157 O\n0.388452 0.386539 0.887418 O\n0.361548 0.137418 0.136539 O\n0.387843 0.612157 0.112157 O\n0.386539 0.887418 0.388452 O\n0.387418 0.111548 0.613461 O\n",
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{
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"structure_string": "V4 Cu4 N8\n1.0\n5.341468 0.000000 0.000000\n0.000000 6.286837 0.000000\n0.000000 0.000000 5.300688\nV Cu N\n4 4 8\ndirect\n0.581820 0.381564 0.990426 V\n0.418180 0.618436 0.490426 V\n0.918180 0.881564 0.490426 V\n0.081820 0.118436 0.990426 V\n0.595937 0.865033 0.019985 Cu\n0.404063 0.134967 0.519985 Cu\n0.904063 0.365033 0.519985 Cu\n0.095937 0.634967 0.019985 Cu\n0.566459 0.388678 0.340347 N\n0.433541 0.611322 0.840347 N\n0.933541 0.888678 0.840347 N\n0.066459 0.111322 0.340347 N\n0.585095 0.862729 0.399243 N\n0.414905 0.137271 0.899243 N\n0.914905 0.362729 0.899243 N\n0.085095 0.637271 0.399243 N\n",
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{
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