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{
"id": "jvasp-22585",
"created_at": "2022-09-04T14:37:12.490339Z",
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"structure_string": "Fe2 F6\n1.0\n4.248937 0.086890 2.795049\n1.551443 3.956517 2.795049\n0.124646 0.086890 5.084311\nFe F\n2 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.750000 0.397151 0.102849 F\n0.397152 0.102849 0.749999 F\n0.250000 0.602849 0.897151 F\n0.102849 0.750000 0.397151 F\n0.897152 0.250000 0.602848 F\n0.602849 0.897152 0.250000 F\n",
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{
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"structure_string": "Co5 Sb1 O8\n1.0\n5.968317 -0.083394 -0.058968\n2.911938 5.043624 -0.000000\n2.911938 1.681208 4.755174\nCo Sb O\n5 1 8\ndirect\n0.093431 0.135523 0.135522 Co\n0.500000 0.000001 0.499999 Co\n0.500001 0.500000 0.499999 Co\n0.500001 0.500000 -0.000000 Co\n0.906570 0.864478 0.864476 Co\n0.000001 0.500000 0.500000 Sb\n0.268851 0.254502 0.254501 O\n0.268852 0.722145 0.254501 O\n0.268852 0.254502 0.722144 O\n0.704393 0.265204 0.265202 O\n0.295609 0.734797 0.734796 O\n0.731150 0.745499 0.277855 O\n0.731150 0.277856 0.745498 O\n0.731150 0.745499 0.745498 O\n",
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{
"id": "jvasp-120415",
"created_at": "2022-09-04T14:38:54.343620Z",
"updated_at": "2022-09-04T14:38:54.343647Z",
"structure_string": "Tm4 Ni4 O12\n1.0\n5.558690 0.000000 0.000000\n-0.000000 4.200868 2.918075\n0.000000 0.047672 8.896240\nTm Ni O\n4 4 12\ndirect\n0.582178 0.726659 0.749997 Tm\n0.917822 0.726659 0.249997 Tm\n0.417822 0.273341 0.250003 Tm\n0.082178 0.273341 0.750003 Tm\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 -0.000000 Ni\n-0.000000 -0.000000 0.500000 Ni\n0.806256 0.241686 0.946982 O\n0.693744 0.241686 0.446982 O\n0.306270 0.364349 0.946959 O\n0.193730 0.364349 0.446959 O\n0.693730 0.635651 0.053042 O\n0.534573 0.860869 0.250006 O\n0.465427 0.139131 0.749995 O\n0.034573 0.139131 0.249995 O\n0.306256 0.758314 0.553018 O\n0.965427 0.860869 0.750006 O\n0.806270 0.635651 0.553042 O\n0.193744 0.758314 0.053018 O\n",
"nsites": 20,
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"volume": 206.96570123145614,
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"formula_full": "Tm4 Ni4 O12",
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{
"id": "jvasp-52335",
"created_at": "2022-09-04T14:37:13.686647Z",
"updated_at": "2022-09-04T14:37:13.686663Z",
"structure_string": "Li4 Ti4 Si4 O16\n1.0\n0.000000 4.774897 -0.002056\n10.306817 0.000000 0.000000\n0.000000 -0.002289 -5.887624\nLi Ti Si O\n4 4 4 16\ndirect\n0.750014 0.703010 0.250089 Li\n0.250031 0.202905 0.249965 Li\n0.749969 0.702905 0.750035 Li\n0.249986 0.203010 0.749911 Li\n0.746845 0.976457 0.999978 Ti\n0.246838 0.929408 0.499991 Ti\n0.753162 0.429408 0.500009 Ti\n0.253155 0.476457 0.000022 Ti\n0.807964 0.295673 0.000007 Si\n0.307960 0.610184 0.500012 Si\n0.692041 0.110184 0.499988 Si\n0.192037 0.795673 -0.000006 Si\n0.039106 0.875478 0.785114 O\n0.960911 0.375473 0.785122 O\n0.460899 0.530385 0.714893 O\n0.555386 0.255999 0.500012 O\n0.968931 0.605626 0.500041 O\n0.539116 0.030375 0.714868 O\n0.460884 0.530375 0.285132 O\n0.531062 0.800249 0.000004 O\n0.444614 0.755999 0.499988 O\n0.539102 0.030385 0.285107 O\n0.039090 0.875473 0.214878 O\n0.960895 0.375478 0.214886 O\n0.468938 0.300249 -0.000004 O\n0.055391 0.649860 0.000005 O\n0.031069 0.105626 0.499959 O\n0.944609 0.149860 -0.000005 O\n",
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"elements": [
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"formula_full": "Li4 Ti4 Si4 O16",
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{
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"created_at": "2022-09-04T14:36:49.779118Z",
"updated_at": "2022-09-04T14:36:49.779153Z",
"structure_string": "Li3 Ti2 Mn3 O10\n1.0\n4.983547 -0.100932 -0.078824\n0.896132 5.126522 0.015799\n2.079359 1.540059 7.241780\nLi Ti Mn O\n3 2 3 10\ndirect\n0.508630 0.761164 0.401739 Li\n-0.000000 0.500000 0.500000 Li\n0.491370 0.238836 0.598261 Li\n0.031577 0.878427 0.683954 Ti\n0.968423 0.121573 0.316047 Ti\n0.500000 0.000000 0.000000 Mn\n0.990723 0.314173 0.893134 Mn\n0.009278 0.685827 0.106867 Mn\n0.213622 0.125129 0.473617 O\n0.745784 0.192234 0.784985 O\n0.767248 0.432257 0.354308 O\n0.232753 0.567743 0.645692 O\n0.240255 0.002523 0.847156 O\n0.786379 0.874871 0.526383 O\n0.807672 0.658242 0.927337 O\n0.192329 0.341757 0.072664 O\n0.254216 0.807766 0.215015 O\n0.759746 -0.002523 0.152845 O\n",
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"formula_full": "Li3 Ti2 Mn3 O10",
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{
"id": "jvasp-120827",
"created_at": "2022-09-04T14:38:53.997037Z",
"updated_at": "2022-09-04T14:38:53.997065Z",
"structure_string": "Mg2 B2 H2\n1.0\n3.587017 0.000000 -0.875633\n0.000000 3.074073 0.000000\n-1.593147 0.000000 6.020097\nMg B H\n2 2 2\ndirect\n0.720066 0.250000 0.253606 Mg\n0.279936 0.750000 0.746395 Mg\n-0.060347 0.250000 -0.063791 B\n0.060348 0.750000 0.063792 B\n0.686172 0.250000 0.716973 H\n0.313830 0.750000 0.283029 H\n",
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},
{
"id": "jvasp-44769",
"created_at": "2022-09-04T14:38:12.249540Z",
"updated_at": "2022-09-04T14:38:12.249563Z",
"structure_string": "Li4 Ti3 Cr3 W2 O16\n1.0\n-5.904245 -0.000313 0.000236\n2.951777 5.082692 -0.018585\n-0.000267 -0.151382 -9.656281\nLi Ti Cr W O\n4 3 3 2 16\ndirect\n0.665953 0.331932 0.899900 Li\n0.997289 0.994588 0.991080 Li\n0.994767 0.989530 0.495086 Li\n0.333706 0.667434 0.404040 Li\n0.340119 0.175961 0.217436 Ti\n0.835820 0.175968 0.217436 Ti\n0.169706 0.339432 0.716496 Ti\n0.170278 0.830642 0.712324 Cr\n0.660345 0.830642 0.712323 Cr\n0.830299 0.660622 0.210971 Cr\n0.666277 0.332575 0.487996 W\n0.336176 0.672372 0.986519 W\n0.165924 0.331868 0.099219 O\n0.166206 0.834457 0.093361 O\n0.330343 0.660714 0.604646 O\n0.482455 0.519845 0.843322 O\n0.037363 0.519842 0.843321 O\n0.830892 0.661802 0.596588 O\n0.965385 0.488095 0.341728 O\n0.516907 0.033837 0.341919 O\n0.835257 0.167444 0.597369 O\n0.000368 0.000756 0.808108 O\n0.999604 0.999233 0.311312 O\n0.663453 0.326931 0.104058 O\n0.481735 0.963487 0.838816 O\n0.332174 0.167448 0.597372 O\n0.522685 0.488091 0.341729 O\n0.668232 0.834459 0.093359 O\n",
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{
"id": "jvasp-10851",
"created_at": "2022-09-04T14:38:14.425873Z",
"updated_at": "2022-09-04T14:38:14.425898Z",
"structure_string": "Mg2 Cr4 O8\n1.0\n5.863870 -0.076401 0.065317\n2.865771 5.116461 0.065317\n2.963211 1.710811 4.838905\nMg Cr O\n2 4 8\ndirect\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.129424 0.129424 0.120576 Cr\n0.500000 0.500000 0.000001 Cr\n0.500000 0.500000 0.500000 Cr\n0.870575 0.870575 0.879425 Cr\n0.256396 0.256396 0.255967 O\n0.256396 0.256396 0.731240 O\n0.277681 0.730802 0.245759 O\n0.730802 0.277681 0.245759 O\n0.269198 0.722318 0.754241 O\n0.722318 0.269198 0.754241 O\n0.743603 0.743603 0.268760 O\n0.743603 0.743604 0.744033 O\n",
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"formula_anonymous": "AB2C4",
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"spacegroup": 74
},
{
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"created_at": "2022-09-04T14:36:07.057912Z",
"updated_at": "2022-09-04T14:36:07.057938Z",
"structure_string": "Li2 Ni3 Sb1 O8\n1.0\n5.963203 0.077039 0.054476\n3.048322 5.125765 0.054477\n3.048322 1.759948 4.814459\nLi Ni Sb O\n2 3 1 8\ndirect\n0.127133 0.127133 0.127133 Li\n0.872865 0.872868 0.872868 Li\n-0.000001 0.500001 0.500000 Ni\n0.499999 0.000000 0.500001 Ni\n0.499999 0.500000 0.000001 Ni\n0.499999 0.500001 0.500001 Sb\n0.270263 0.270264 0.270265 O\n0.259055 0.259056 0.722041 O\n0.259055 0.722041 0.259057 O\n0.722039 0.259056 0.259057 O\n0.277958 0.740945 0.740945 O\n0.740943 0.277960 0.740945 O\n0.740943 0.740945 0.277961 O\n0.729734 0.729737 0.729737 O\n",
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{
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"updated_at": "2022-09-04T14:35:45.555204Z",
"structure_string": "Be1 Fe1 Ni2\n1.0\n-1.714375 1.714375 3.521768\n1.714375 -1.714375 3.521768\n1.714375 1.714375 -3.521768\nBe Fe Ni\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Fe\n0.000000 0.000000 0.000000 Ni\n0.250000 0.749999 0.499999 Ni\n",
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},
{
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"created_at": "2022-09-04T14:35:59.577957Z",
"updated_at": "2022-09-04T14:35:59.577985Z",
"structure_string": "Li8 Co2 O6 F2\n1.0\n3.880402 3.607246 0.000000\n-3.880402 3.607246 0.000000\n0.000000 0.000000 6.655405\nLi Co O F\n8 2 6 2\ndirect\n0.164579 0.839657 0.495613 Li\n0.160344 0.835422 0.995613 Li\n0.584908 0.894983 0.240386 Li\n0.105018 0.415093 0.740386 Li\n0.415093 0.105018 0.740386 Li\n0.894983 0.584908 0.240386 Li\n0.835422 0.160344 0.995613 Li\n0.839657 0.164579 0.495613 Li\n0.381946 0.381946 0.320260 Co\n0.618055 0.618055 0.820260 Co\n0.267312 0.680548 0.248089 O\n0.319453 0.732689 0.748089 O\n0.791927 0.791927 0.012666 O\n0.208074 0.208074 0.512667 O\n0.732689 0.319453 0.748089 O\n0.680548 0.267312 0.248089 O\n0.189306 0.189306 0.948900 F\n0.810695 0.810695 0.448899 F\n",
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"volume": 186.31892275871277,
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"formula_full": "Li8 Co2 O6 F2",
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"formula_anonymous": "ABC3D4",
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{
"id": "jvasp-112436",
"created_at": "2022-09-04T14:38:40.100242Z",
"updated_at": "2022-09-04T14:38:40.100272Z",
"structure_string": "Li1 V3 Zn2 O8\n1.0\n5.120146 0.036436 3.005525\n1.738181 4.816218 3.005525\n0.051496 0.036436 5.936869\nLi V Zn O\n1 3 2 8\ndirect\n0.500000 0.500001 0.500000 Li\n0.500000 0.500001 0.000000 V\n0.500000 0.000001 0.500000 V\n0.000000 0.500001 0.500000 V\n0.121987 0.121988 0.121987 Zn\n0.878013 0.878015 0.878013 Zn\n0.742518 0.742519 0.742518 O\n0.285711 0.747601 0.747600 O\n0.714290 0.252401 0.252400 O\n0.252400 0.252401 0.714289 O\n0.252400 0.714290 0.252400 O\n0.257483 0.257483 0.257483 O\n0.747601 0.285712 0.747600 O\n0.747601 0.747601 0.285711 O\n",
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"volume": 144.9155104882925,
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}
]
}