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{
"id": "mp-780725",
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"structure_string": "Li8 V4 P4 O20\n1.0\n-6.638453 -0.000025 -0.000215\n-0.000026 -6.655450 0.000013\n0.000045 -0.000096 8.256437\nLi V P O\n8 4 4 20\ndirect\n0.009236 0.475546 0.017703 Li\n0.008355 0.476952 0.514322 Li\n0.971492 0.977085 0.485678 Li\n0.970572 0.975723 0.982368 Li\n0.509872 0.975206 0.481908 Li\n0.508883 0.976744 0.985340 Li\n0.471069 0.476505 0.014740 Li\n0.470455 0.475318 0.517973 Li\n0.741386 0.747211 0.687866 V\n0.238652 0.247075 0.312301 V\n0.738783 0.747091 0.187767 V\n0.241210 0.247113 0.812285 V\n0.738755 0.246317 0.250560 P\n0.741166 0.246345 0.750564 P\n0.238855 0.746285 0.249381 P\n0.241224 0.746346 0.749395 P\n0.738485 0.056622 0.142299 O\n0.741747 0.056629 0.642305 O\n0.238458 0.556564 0.357669 O\n0.241649 0.556607 0.857650 O\n0.739272 0.764865 0.417862 O\n0.740982 0.764980 0.917930 O\n0.239049 0.264934 0.082127 O\n0.240658 0.264820 0.582174 O\n0.738926 0.438357 0.144241 O\n0.740820 0.438408 0.644254 O\n0.239149 0.938349 0.355707 O\n0.240853 0.938391 0.855729 O\n0.930362 0.245140 0.357887 O\n0.932152 0.244387 0.858432 O\n0.547703 0.244161 0.358383 O\n0.549513 0.244922 0.857816 O\n0.430474 0.745029 0.142064 O\n0.432341 0.744394 0.641629 O\n0.047793 0.744272 0.141587 O\n0.049611 0.745051 0.642058 O\n",
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{
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"structure_string": "Fe8 P6 O30\n1.0\n3.768896 9.969323 0.000000\n-3.768896 9.969323 0.000000\n0.000000 1.389176 7.131389\nFe P O\n8 6 30\ndirect\n0.655947 0.181815 0.653326 Fe\n0.818185 0.344053 0.846674 Fe\n0.344053 0.818185 0.346674 Fe\n0.181815 0.655947 0.153326 Fe\n0.183981 0.155636 0.645780 Fe\n0.844364 0.816019 0.854220 Fe\n0.816019 0.844364 0.354220 Fe\n0.155636 0.183981 0.145780 Fe\n0.462904 0.199530 0.087377 P\n0.800470 0.537096 0.412623 P\n0.537096 0.800470 0.912623 P\n0.199530 0.462904 0.587377 P\n0.878700 0.121300 0.250000 P\n0.121300 0.878700 0.750000 P\n0.652197 0.347803 0.750000 O\n0.347803 0.652197 0.250000 O\n0.046931 0.264401 0.902807 O\n0.735599 0.953069 0.597193 O\n0.953069 0.735599 0.097193 O\n0.264401 0.046931 0.402807 O\n0.227536 0.740007 0.922222 O\n0.259993 0.772464 0.577778 O\n0.772464 0.259993 0.077778 O\n0.740007 0.227536 0.422222 O\n0.389834 0.383919 0.603965 O\n0.616081 0.610166 0.896035 O\n0.610166 0.616081 0.396035 O\n0.383919 0.389834 0.103965 O\n0.429139 0.937868 0.740225 O\n0.062132 0.570861 0.759775 O\n0.570861 0.062132 0.259775 O\n0.937868 0.429139 0.240225 O\n0.614407 0.104605 0.914389 O\n0.895395 0.385593 0.585611 O\n0.385593 0.895395 0.085611 O\n0.104605 0.614407 0.414389 O\n0.062831 0.061837 0.751433 O\n0.938163 0.937169 0.748567 O\n0.937169 0.938163 0.248567 O\n0.061837 0.062831 0.251433 O\n0.223992 0.306897 0.557058 O\n0.693103 0.776008 0.942942 O\n0.776008 0.693103 0.442942 O\n0.306897 0.223992 0.057058 O\n",
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"volume": 535.90022963674,
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"formula_full": "Fe8 P6 O30",
"formula_reduced": "Fe4(PO5)3",
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{
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"created_at": "2022-09-04T14:39:22.931142Z",
"structure_string": "Bi4 S4 Br4\n1.0\n4.088663 0.000000 0.000000\n0.000000 8.467639 0.000000\n0.000000 0.000000 10.577375\nBi S Br\n4 4 4\ndirect\n0.250000 0.883900 0.868229 Bi\n0.750000 0.116100 0.131771 Bi\n0.250000 0.383900 0.631771 Bi\n0.750000 0.616100 0.368229 Bi\n0.750000 0.829971 0.037971 S\n0.250000 0.670029 0.537971 S\n0.750000 0.329971 0.462029 S\n0.250000 0.170029 0.962029 S\n0.250000 0.973286 0.310557 Br\n0.750000 0.526714 0.810557 Br\n0.250000 0.473286 0.189443 Br\n0.750000 0.026714 0.689443 Br\n",
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"elements": [
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"density": 5.821355270368208,
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"volume": 366.2027087160549,
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"formula_full": "Bi4 S4 Br4",
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},
{
"id": "mp-753675",
"created_at": "2022-09-04T14:39:42.189980Z",
"structure_string": "Li1 V1 F4\n1.0\n3.260664 -3.409103 0.000000\n3.260664 3.409103 0.000000\n0.000000 0.000000 3.118534\nLi V F\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 V\n0.189371 0.810629 0.000000 F\n0.293489 0.293489 0.500000 F\n0.810629 0.189371 0.000000 F\n0.706511 0.706511 0.500000 F\n",
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"formula_full": "Li1 V1 F4",
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"spacegroup": 65
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{
"id": "mp-5001",
"created_at": "2022-09-04T14:39:48.410254Z",
"structure_string": "Li12 B4 N8\n1.0\n7.096043 0.000000 0.000000\n0.000000 5.148720 0.000000\n0.000000 2.625348 6.261249\nLi B N\n12 4 8\ndirect\n0.518290 0.249329 0.502234 Li\n0.018290 0.750671 0.997766 Li\n0.481710 0.750671 0.497766 Li\n0.981710 0.249329 0.002234 Li\n0.987589 0.249397 0.624498 Li\n0.487589 0.750603 0.875502 Li\n0.012411 0.750603 0.375502 Li\n0.512411 0.249397 0.124498 Li\n0.791809 0.741629 0.686366 Li\n0.291809 0.258371 0.813634 Li\n0.208191 0.258371 0.313634 Li\n0.708191 0.741629 0.186366 Li\n0.679820 0.214934 0.823690 B\n0.179820 0.785066 0.676310 B\n0.320180 0.785066 0.176310 B\n0.820180 0.214934 0.323690 B\n0.561897 0.434834 0.780530 N\n0.061897 0.565166 0.719470 N\n0.438103 0.565166 0.219470 N\n0.938103 0.434834 0.280530 N\n0.795494 0.993581 0.866206 N\n0.295494 0.006419 0.633794 N\n0.204506 0.006419 0.133794 N\n0.704506 0.993581 0.366206 N\n",
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],
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"formula_full": "Li12 B4 N8",
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"spacegroup": 14
},
{
"id": "mp-1185132",
"created_at": "2022-09-04T14:39:12.212103Z",
"structure_string": "La1 Pr3\n1.0\n-2.645057 2.645057 5.272511\n2.645057 -2.645057 5.272511\n2.645057 2.645057 -5.272511\nLa Pr\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.750000 0.250000 0.500000 Pr\n0.250000 0.750000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n",
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"spacegroup": 139
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{
"id": "mp-12979",
"created_at": "2022-09-04T14:39:06.853042Z",
"structure_string": "Sn1 O2\n1.0\n0.000000 2.574150 2.574150\n2.574150 0.000000 2.574150\n2.574150 2.574150 0.000000\nSn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 O\n",
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"spacegroup": 225
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{
"id": "mp-1178037",
"created_at": "2022-09-04T14:39:31.688137Z",
"structure_string": "Li8 Co4 Ni12 O32\n1.0\n8.077961 -0.009624 0.049648\n-0.010422 8.145578 -0.021715\n0.049888 -0.020578 8.037375\nLi Co Ni O\n8 4 12 32\ndirect\n0.997540 0.003784 0.997615 Li\n0.252979 0.245070 0.253538 Li\n0.246679 0.744920 0.746776 Li\n0.494886 0.003877 0.494338 Li\n0.503038 0.502069 0.001337 Li\n0.752305 0.247419 0.756560 Li\n0.750070 0.747023 0.247723 Li\n0.002690 0.506489 0.500760 Li\n0.121660 0.874712 0.371435 Co\n0.373575 0.123737 0.873240 Co\n0.625646 0.625875 0.624774 Co\n0.880362 0.373999 0.131075 Co\n0.123978 0.125775 0.626106 Ni\n0.129180 0.374674 0.878141 Ni\n0.126637 0.623484 0.124138 Ni\n0.379275 0.373880 0.628870 Ni\n0.375543 0.624955 0.372890 Ni\n0.369868 0.874345 0.118747 Ni\n0.630155 0.374341 0.380139 Ni\n0.623951 0.124782 0.125479 Ni\n0.619077 0.875701 0.870283 Ni\n0.875503 0.126753 0.378150 Ni\n0.869543 0.877312 0.621524 Ni\n0.876034 0.624669 0.876145 Ni\n0.107502 0.111092 0.392487 O\n0.100761 0.877955 0.609435 O\n0.122756 0.603716 0.892874 O\n0.138215 0.142829 0.859518 O\n0.118219 0.389981 0.113400 O\n0.147225 0.374917 0.644287 O\n0.131453 0.643780 0.355593 O\n0.136417 0.857021 0.131381 O\n0.366222 0.144940 0.636861 O\n0.364164 0.359156 0.863132 O\n0.358742 0.642625 0.129980 O\n0.394613 0.605524 0.618006 O\n0.355997 0.873163 0.351354 O\n0.398160 0.376035 0.395545 O\n0.376608 0.102919 0.108680 O\n0.385930 0.888222 0.882566 O\n0.614483 0.388491 0.616606 O\n0.621721 0.603803 0.393679 O\n0.602560 0.876499 0.103215 O\n0.646357 0.372603 0.147678 O\n0.608377 0.106678 0.887720 O\n0.642684 0.142850 0.363702 O\n0.633672 0.862474 0.634427 O\n0.627205 0.645597 0.853915 O\n0.863565 0.358784 0.370460 O\n0.871745 0.143093 0.146034 O\n0.851589 0.873179 0.854521 O\n0.883537 0.894457 0.387257 O\n0.854283 0.647645 0.625321 O\n0.880537 0.107850 0.611942 O\n0.897624 0.376671 0.894515 O\n0.896903 0.605952 0.124265 O\n",
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"formula_full": "Li8 Co4 Ni12 O32",
"formula_reduced": "Li2CoNi3O8",
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"spacegroup": 1
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{
"id": "mp-758781",
"created_at": "2022-09-04T14:39:22.395434Z",
"structure_string": "Li12 Mn4 P8 O32\n1.0\n8.552969 0.000000 0.000000\n3.051474 8.106152 0.000000\n0.502275 0.316596 9.352365\nLi Mn P O\n12 4 8 32\ndirect\n0.147431 0.385140 0.206631 Li\n0.378628 0.128260 0.701480 Li\n0.839448 0.041310 0.539289 Li\n0.890655 0.062596 0.227818 Li\n0.391040 0.598110 0.240046 Li\n0.594638 0.430945 0.752343 Li\n0.105317 0.889128 0.769473 Li\n0.168039 0.957726 0.461319 Li\n0.953964 0.161644 0.965033 Li\n0.593713 0.866337 0.302975 Li\n0.853828 0.608476 0.774438 Li\n0.915803 0.709828 0.098735 Li\n0.504521 0.244953 0.094451 Mn\n0.232550 0.502699 0.603554 Mn\n0.767297 0.499038 0.394542 Mn\n0.493541 0.771447 0.902086 Mn\n0.286041 0.012358 0.085402 P\n0.004136 0.291870 0.586389 P\n0.564366 0.249647 0.424138 P\n0.241849 0.571984 0.924950 P\n0.747382 0.444067 0.072294 P\n0.441257 0.748639 0.571341 P\n0.999123 0.708743 0.409070 P\n0.728033 0.982045 0.928906 P\n0.100299 0.040004 0.113076 O\n0.026632 0.107284 0.599139 O\n0.316329 0.169525 0.135779 O\n0.167212 0.309713 0.641586 O\n0.624799 0.061826 0.437173 O\n0.050932 0.632229 0.919217 O\n0.753210 0.938872 0.090966 O\n0.997610 0.653271 0.572331 O\n0.157692 0.595422 0.332716 O\n0.571501 0.145597 0.910252 O\n0.312117 0.485374 0.067803 O\n0.463472 0.335016 0.558252 O\n0.462278 0.323737 0.290301 O\n0.333667 0.457495 0.802450 O\n0.730981 0.288719 0.414296 O\n0.283198 0.735384 0.905646 O\n0.727462 0.268569 0.084516 O\n0.271570 0.712561 0.585373 O\n0.655535 0.546972 0.198813 O\n0.549587 0.671086 0.698276 O\n0.536010 0.667481 0.433137 O\n0.658072 0.534043 0.934748 O\n0.406172 0.856939 0.160207 O\n0.847898 0.401775 0.667971 O\n0.997857 0.353047 0.423422 O\n0.333984 0.000527 0.918390 O\n0.935301 0.406798 0.065782 O\n0.381512 0.936747 0.559771 O\n0.840765 0.689449 0.342421 O\n0.686938 0.841461 0.857106 O\n0.980582 0.892626 0.393524 O\n0.880404 0.006082 0.850090 O\n",
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