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{
"id": "jvasp-11553",
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"updated_at": "2022-09-04T14:37:18.893905Z",
"structure_string": "Mn4 Zn4 O8\n1.0\n3.212334 0.141100 0.004017\n1.905920 8.307342 -0.000023\n1.600624 0.299701 8.219818\nMn Zn O\n4 4 8\ndirect\n0.824760 0.786670 0.591962 Mn\n0.758703 0.618072 0.254827 Mn\n0.217008 0.402008 0.773374 Mn\n0.151020 0.233431 0.436241 Mn\n0.189571 0.935254 0.259083 Zn\n0.786200 0.084828 0.769117 Zn\n0.621593 0.282392 0.123075 Zn\n0.354234 0.737681 0.905122 Zn\n0.566671 0.251079 0.583346 O\n0.984056 0.640103 0.794546 O\n-0.008284 0.379979 0.233663 O\n0.409096 0.769003 0.444859 O\n0.384233 0.944410 0.766323 O\n0.235424 0.734377 0.138751 O\n0.591522 0.075668 0.261880 O\n0.740279 0.285703 0.889454 O\n",
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{
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"structure_string": "Ti2 Fe4 O10\n1.0\n3.737071 0.000000 0.000000\n-1.868535 4.928270 -0.000000\n0.000000 0.000000 10.060593\nTi Fe O\n2 4 10\ndirect\n0.181625 0.363249 0.750000 Ti\n0.818374 0.636751 0.250000 Ti\n0.138845 0.277689 0.438067 Fe\n0.861154 0.722311 0.561934 Fe\n0.861154 0.722311 0.938066 Fe\n0.138845 0.277689 0.061934 Fe\n0.310166 0.620333 0.578378 O\n0.689832 0.379667 0.421623 O\n0.689832 0.379667 0.078378 O\n0.310166 0.620333 0.921621 O\n0.047388 0.094776 0.619327 O\n0.952610 0.905224 0.380671 O\n0.746633 0.493268 0.750000 O\n0.253366 0.506732 0.250000 O\n0.952610 0.905224 0.119329 O\n0.047388 0.094776 0.880672 O\n",
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{
"id": "jvasp-49860",
"created_at": "2022-09-04T14:37:08.565879Z",
"updated_at": "2022-09-04T14:37:08.565891Z",
"structure_string": "Ba2 Be2 P2 O8 F2\n1.0\n4.896151 0.006448 -0.000967\n-0.003463 4.896649 -0.002405\n-2.410667 -2.412979 8.452581\nBa Be P O F\n2 2 2 8 2\ndirect\n0.003538 0.003057 0.000425 Ba\n0.752651 0.254037 0.500477 Ba\n0.167089 0.652714 0.336086 Be\n0.402346 0.417696 0.836080 Be\n0.582915 0.561341 0.165385 P\n0.310993 0.833538 0.665389 P\n0.838290 0.736319 0.298695 O\n0.604740 0.604636 0.005540 O\n0.996339 0.834312 0.659305 O\n0.303784 0.684219 0.196837 O\n0.354126 0.855218 0.505487 O\n0.583725 0.246680 0.159228 O\n0.434017 0.554537 0.696918 O\n0.486031 0.088976 0.798606 O\n0.175502 0.334650 0.347444 F\n0.084207 0.425989 0.847351 F\n",
"nsites": 16,
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{
"id": "jvasp-57694",
"created_at": "2022-09-04T14:37:18.262382Z",
"updated_at": "2022-09-04T14:37:18.262408Z",
"structure_string": "Zr10 Sb6\n1.0\n4.258400 -7.375766 -0.000000\n4.258400 7.375766 0.000000\n0.000000 0.000000 5.797385\nZr Sb\n10 6\ndirect\n0.254301 -0.000000 0.250000 Zr\n0.254301 0.254301 0.749999 Zr\n-0.000000 0.745699 0.749999 Zr\n-0.000000 0.254301 0.250000 Zr\n0.745699 0.745699 0.250000 Zr\n0.745699 -0.000000 0.749999 Zr\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.614140 -0.000000 0.250000 Sb\n0.614140 0.614140 0.749999 Sb\n-0.000000 0.385861 0.749999 Sb\n-0.000000 0.614140 0.250000 Sb\n0.385860 0.385860 0.250000 Sb\n0.385861 -0.000000 0.749999 Sb\n",
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"formula_full": "Zr10 Sb6",
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{
"id": "jvasp-9697",
"created_at": "2022-09-04T14:37:07.610127Z",
"updated_at": "2022-09-04T14:37:07.610151Z",
"structure_string": "Sm4 Cu4 S8\n1.0\n0.000000 6.440344 0.007069\n7.131200 0.000000 0.000000\n0.000000 -0.891927 -6.778079\nSm Cu S\n4 4 8\ndirect\n0.808178 0.951038 0.199117 Sm\n0.191821 0.451038 0.300883 Sm\n0.191821 0.048962 0.800883 Sm\n0.808178 0.548962 0.699117 Sm\n0.422864 0.661757 0.949755 Cu\n0.577135 0.338243 0.050245 Cu\n0.577134 0.161757 0.550245 Cu\n0.422865 0.838243 0.449755 Cu\n0.079521 0.726042 0.999393 S\n0.920478 0.226042 0.500607 S\n0.920478 0.273958 0.000607 S\n0.079521 0.773958 0.499393 S\n0.406800 0.113151 0.218815 S\n0.406799 0.386849 0.718815 S\n0.593199 0.886849 0.781185 S\n0.593200 0.613151 0.281185 S\n",
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"formula_full": "Sm4 Cu4 S8",
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{
"id": "jvasp-12617",
"created_at": "2022-09-04T14:37:07.612246Z",
"updated_at": "2022-09-04T14:37:07.612261Z",
"structure_string": "Na4 Co2 Ge2 O8\n1.0\n5.377936 0.000000 0.000000\n0.000000 6.234499 0.000000\n0.000000 0.000000 6.445467\nNa Co Ge O\n4 2 2 8\ndirect\n0.011540 0.664480 0.747782 Na\n0.511541 0.335520 0.247782 Na\n0.511541 0.335520 0.752219 Na\n0.011540 0.664480 0.252219 Na\n0.005414 0.152699 0.000000 Co\n0.505414 0.847301 0.500000 Co\n0.499317 0.847886 0.000000 Ge\n-0.000684 0.152114 0.500000 Ge\n0.668229 0.125124 0.500000 O\n0.168229 0.874876 0.000000 O\n0.141841 0.894195 0.500000 O\n0.641842 0.105805 0.000000 O\n0.581060 0.697317 0.769809 O\n0.581060 0.697317 0.230192 O\n0.081060 0.302683 0.269809 O\n0.081060 0.302683 0.730192 O\n",
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"formula_full": "Na4 Co2 Ge2 O8",
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{
"id": "jvasp-34651",
"created_at": "2022-09-04T14:37:07.631379Z",
"updated_at": "2022-09-04T14:37:07.631399Z",
"structure_string": "K2 Sb2 F12\n1.0\n5.241645 -0.000000 0.000000\n-0.000000 5.241645 0.000000\n0.000000 0.000000 9.725017\nK Sb F\n2 2 12\ndirect\n0.500000 0.500000 0.750000 K\n0.500000 0.500000 0.250000 K\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.816169 0.183832 0.138470 F\n0.816169 0.816169 0.361530 F\n0.260256 0.739744 0.500000 F\n0.183832 0.183832 0.361530 F\n0.183832 0.816169 0.861530 F\n0.816169 0.816169 0.638471 F\n0.260256 0.260256 0.000000 F\n0.739744 0.260256 0.500000 F\n0.183832 0.183832 0.638471 F\n0.183832 0.816169 0.138470 F\n0.816169 0.183832 0.861530 F\n0.739744 0.739744 0.000000 F\n",
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},
{
"id": "jvasp-9729",
"created_at": "2022-09-04T14:37:06.966995Z",
"updated_at": "2022-09-04T14:37:06.967005Z",
"structure_string": "Sr4 Zn4 O8\n1.0\n3.358940 0.000000 0.000000\n-0.000000 5.866866 0.000000\n0.000000 0.000000 11.389466\nSr Zn O\n4 4 8\ndirect\n0.250000 0.318993 0.632969 Sr\n0.750000 0.681008 0.367032 Sr\n0.250000 0.818993 0.867032 Sr\n0.750000 0.181008 0.132968 Sr\n0.750000 0.805983 0.628106 Zn\n0.750000 0.305983 0.871895 Zn\n0.250000 0.194018 0.371895 Zn\n0.250000 0.694018 0.128106 Zn\n0.250000 0.238797 0.961222 O\n0.750000 0.761204 0.038778 O\n0.250000 0.738797 0.538778 O\n0.750000 0.261204 0.461222 O\n0.250000 0.441000 0.241205 O\n0.750000 0.059001 0.741205 O\n0.250000 0.941000 0.258795 O\n0.750000 0.559001 0.758795 O\n",
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{
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"created_at": "2022-09-04T14:37:11.629725Z",
"updated_at": "2022-09-04T14:37:11.629736Z",
"structure_string": "Cu6 P2 Se8\n1.0\n6.452536 0.000000 0.000000\n0.000000 6.739770 0.000000\n0.000000 0.000000 7.761488\nCu P Se\n6 2 8\ndirect\n0.009665 0.823470 0.253817 Cu\n0.509665 0.176530 0.246183 Cu\n0.509665 0.176530 0.753817 Cu\n0.009665 0.823470 0.746184 Cu\n0.997709 0.345736 0.000000 Cu\n0.497708 0.654264 0.500000 Cu\n0.499869 0.672218 0.000000 P\n-0.000131 0.327782 0.500000 P\n0.357657 0.321206 0.500000 Se\n0.857657 0.678794 0.000000 Se\n0.874616 0.646463 0.500000 Se\n0.374615 0.353537 0.000000 Se\n0.382051 0.837030 0.243460 Se\n0.882051 0.162970 0.256540 Se\n0.882051 0.162970 0.743461 Se\n0.382051 0.837030 0.756540 Se\n",
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{
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"created_at": "2022-09-04T14:37:17.962236Z",
"updated_at": "2022-09-04T14:37:17.962262Z",
"structure_string": "Mg2 Fe2 Si2 O10\n1.0\n5.015743 -0.288344 0.107276\n-1.486464 5.163625 -0.059771\n-1.448185 -2.234944 6.155539\nMg Fe Si O\n2 2 2 10\ndirect\n0.363851 0.215928 0.779175 Mg\n0.644651 0.773924 0.249921 Mg\n0.004249 0.494920 0.514557 Fe\n0.004253 0.494923 0.014557 Fe\n0.700083 0.817515 0.757848 Si\n0.308417 0.172333 0.271262 Si\n0.703064 0.632164 0.920914 O\n0.990778 0.850864 0.668321 O\n0.305433 0.357681 0.108195 O\n0.017717 0.138981 0.360787 O\n0.597804 0.291359 0.487150 O\n0.304802 0.865653 0.134503 O\n0.410694 0.698486 0.541964 O\n0.703694 0.124192 0.894609 O\n0.898485 0.549451 0.263918 O\n0.110013 0.440393 0.765195 O\n",
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},
{
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"created_at": "2022-09-04T14:37:07.625097Z",
"updated_at": "2022-09-04T14:37:07.625111Z",
"structure_string": "H8 C2 N4 O2\n1.0\n5.029093 0.000000 0.000000\n0.000000 5.029093 -0.000000\n0.000000 0.000000 5.623888\nH C N O\n8 2 4 2\ndirect\n0.830399 0.000000 0.107460 H\n0.500000 0.669600 0.107460 H\n0.669600 0.500000 0.892540 H\n0.000000 0.169600 0.892540 H\n0.330400 0.500000 0.892540 H\n0.169600 0.000000 0.107460 H\n0.500000 0.330400 0.107460 H\n0.000000 0.830399 0.892540 H\n0.500000 0.000000 0.495002 C\n0.000000 0.500000 0.504998 C\n0.000000 0.500000 0.719184 N\n0.500000 0.000000 0.280816 N\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.290139 O\n0.500000 0.000000 0.709861 O\n",
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},
{
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"created_at": "2022-09-04T14:37:07.622295Z",
"updated_at": "2022-09-04T14:37:07.622307Z",
"structure_string": "Ba2 Mn2 C2 O6 F4\n1.0\n2.477100 -4.290461 -0.000000\n2.477099 4.290462 0.000000\n-0.000000 -0.000000 9.820429\nBa Mn C O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.750000 Mn\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n0.879479 0.254785 0.750000 O\n0.254785 0.375306 0.250000 O\n0.745215 0.624695 0.750000 O\n0.120521 0.745215 0.250000 O\n0.375306 0.120521 0.750000 O\n0.624695 0.879479 0.250000 O\n0.333333 0.666667 0.540435 F\n0.666667 0.333333 0.040435 F\n0.333333 0.666667 0.959565 F\n0.666667 0.333333 0.459565 F\n",
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}
]
}