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{
"id": "jvasp-41229",
"created_at": "2022-09-04T14:37:40.121955Z",
"updated_at": "2022-09-04T14:37:40.121979Z",
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{
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{
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"structure_string": "Mg2 Al3 Cr1 S8\n1.0\n6.236646 0.000093 3.600822\n2.078715 5.909057 3.600770\n0.000023 0.000055 7.201671\nMg Al Cr S\n2 3 1 8\ndirect\n0.874277 0.877166 0.874281 Mg\n0.125723 0.122835 0.125718 Mg\n0.500001 0.500000 0.499999 Al\n0.499998 0.499999 0.000001 Al\n-0.000000 0.500000 0.499999 Al\n0.500001 0.999999 0.499999 Cr\n0.737714 0.738557 0.737708 S\n0.262287 0.261442 0.713977 S\n0.261743 0.714780 0.261738 S\n0.713977 0.261450 0.262286 S\n0.738256 0.285219 0.738262 S\n0.286024 0.738549 0.737713 S\n0.262288 0.261438 0.262296 S\n0.737712 0.738556 0.286025 S\n",
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"formula_full": "Mg2 Al3 Cr1 S8",
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{
"id": "jvasp-94751",
"created_at": "2022-09-04T14:35:42.577139Z",
"updated_at": "2022-09-04T14:35:42.577166Z",
"structure_string": "Mg6 Al1 Cr1\n1.0\n6.203951 0.045692 0.000000\n-3.062405 5.304241 0.000000\n0.000000 0.000000 4.957613\nMg Al Cr\n6 1 1\ndirect\n0.665164 0.333635 0.250000 Mg\n0.665164 0.831527 0.250000 Mg\n0.329573 0.160371 0.750000 Mg\n0.329573 0.669203 0.750000 Mg\n0.838370 0.169185 0.750000 Mg\n0.843886 0.671943 0.750000 Mg\n0.164742 0.332370 0.250000 Al\n0.163528 0.831763 0.250000 Cr\n",
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"volume": 163.83512256516255,
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"formula_full": "Mg6 Al1 Cr1",
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"spacegroup": 38
},
{
"id": "jvasp-20919",
"created_at": "2022-09-04T14:38:16.500777Z",
"updated_at": "2022-09-04T14:38:16.500797Z",
"structure_string": "Mg6 Al36 Cr4\n1.0\n8.902847 -0.000000 5.140062\n2.967616 8.393685 5.140062\n-0.000000 -0.000000 10.280122\nMg Al Cr\n6 36 4\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.500000 0.500000 0.499999 Mg\n0.625000 0.625000 0.624999 Mg\n0.375000 0.375000 0.375000 Mg\n0.985049 0.264951 0.985048 Al\n0.558141 0.824754 0.292352 Al\n0.824753 0.558141 0.292352 Al\n0.824754 0.824754 0.558140 Al\n0.824754 0.824754 0.292352 Al\n0.292353 0.824754 0.824752 Al\n0.824753 0.292353 0.824752 Al\n0.707647 0.441859 0.175246 Al\n0.735049 0.014951 0.014951 Al\n0.175247 0.175247 0.441859 Al\n0.175247 0.707647 0.441859 Al\n0.985049 0.985049 0.264950 Al\n0.264951 0.264951 0.985048 Al\n0.985049 0.264951 0.264951 Al\n0.264952 0.985049 0.264951 Al\n0.014951 0.735049 0.014951 Al\n0.441860 0.707647 0.175246 Al\n0.707647 0.175247 0.441859 Al\n0.175247 0.441859 0.707646 Al\n0.175247 0.175247 0.707647 Al\n0.014951 0.014951 0.735049 Al\n0.735049 0.735049 0.014951 Al\n0.735049 0.014951 0.735048 Al\n0.264952 0.985049 0.985048 Al\n0.014951 0.735049 0.735048 Al\n0.175247 0.441859 0.175247 Al\n0.824753 0.292353 0.558140 Al\n0.558141 0.824754 0.824752 Al\n0.824753 0.558141 0.824752 Al\n0.292353 0.824754 0.558140 Al\n0.292353 0.558141 0.824752 Al\n0.558141 0.292353 0.824753 Al\n0.707647 0.175247 0.175247 Al\n0.441859 0.175247 0.175247 Al\n0.441859 0.175247 0.707646 Al\n0.175247 0.707647 0.175246 Al\n0.500000 0.000000 -0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n",
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{
"id": "jvasp-94770",
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"updated_at": "2022-09-04T14:35:56.264079Z",
"structure_string": "Mg6 Al1 Cr1\n1.0\n6.215806 0.004033 0.000000\n-3.104410 5.385062 0.000000\n0.000000 0.000000 4.891166\nMg Al Cr\n6 1 1\ndirect\n0.171021 0.842709 0.250000 Mg\n0.657291 0.328979 0.250000 Mg\n0.668114 0.831885 0.250000 Mg\n0.330677 0.662323 0.750001 Mg\n0.837677 0.169323 0.750001 Mg\n0.833627 0.666372 0.750001 Mg\n0.175893 0.324106 0.250000 Al\n0.325703 0.174297 0.750001 Cr\n",
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"spacegroup": 38
},
{
"id": "jvasp-112360",
"created_at": "2022-09-04T14:38:26.617275Z",
"updated_at": "2022-09-04T14:38:26.617299Z",
"structure_string": "Li4 Al2 Cr4 Sb2 O16\n1.0\n5.847101 -0.005946 0.026503\n2.956406 5.044630 0.026503\n-0.006831 -0.003910 9.542702\nLi Al Cr Sb O\n4 2 4 2 16\ndirect\n0.334201 0.334200 0.598241 Li\n0.665572 0.665571 0.093147 Li\n0.001577 0.001577 0.007031 Li\n0.998243 0.998241 0.513575 Li\n0.340277 0.830141 0.785678 Al\n0.830142 0.340276 0.785678 Al\n0.168479 0.660600 0.285981 Cr\n0.830068 0.830066 0.785808 Cr\n0.168800 0.168800 0.285630 Cr\n0.660601 0.168478 0.285981 Cr\n0.333970 0.333970 0.009397 Sb\n0.664786 0.664785 0.514175 Sb\n0.331747 0.331747 0.392761 O\n0.517061 0.517060 0.662728 O\n0.484764 0.032099 0.158577 O\n0.032100 0.484763 0.158577 O\n0.483095 0.483095 0.159431 O\n0.659831 0.659830 0.887234 O\n0.836470 0.323559 0.404998 O\n0.008099 0.008099 0.700531 O\n0.836529 0.836528 0.405963 O\n0.169691 0.676594 0.900275 O\n0.676594 0.169690 0.900275 O\n0.165122 0.165121 0.898323 O\n0.965479 0.513107 0.661723 O\n0.000046 0.000046 0.190949 O\n0.323560 0.836469 0.404998 O\n0.513108 0.965477 0.661723 O\n",
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"formula_full": "Li4 Al2 Cr4 Sb2 O16",
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{
"id": "jvasp-46433",
"created_at": "2022-09-04T14:38:27.434442Z",
"updated_at": "2022-09-04T14:38:27.434463Z",
"structure_string": "Li4 Al1 Cr3 O8\n1.0\n1.453845 0.839378 4.754534\n5.815128 -0.000624 0.000190\n-2.908105 5.036973 0.000002\nLi Al Cr O\n4 1 3 8\ndirect\n0.997912 0.999611 0.499805 Li\n0.002087 0.000391 0.000196 Li\n-0.000000 0.500001 0.498410 Li\n0.000000 0.500000 0.001590 Li\n0.500000 0.500001 0.250001 Al\n0.499999 0.000001 0.750000 Cr\n0.500000 0.000001 0.250000 Cr\n0.499999 0.500001 0.750000 Cr\n0.273178 0.242169 0.621083 O\n0.722623 0.264241 0.889846 O\n0.278576 0.250902 0.125450 O\n0.722623 0.264239 0.374393 O\n0.277376 0.735762 0.610154 O\n0.726821 0.757834 0.878917 O\n0.277376 0.735762 0.125608 O\n0.721423 0.749100 0.374551 O\n",
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"formula_full": "Li4 Al1 Cr3 O8",
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{
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"created_at": "2022-09-04T14:38:19.055538Z",
"updated_at": "2022-09-04T14:38:19.055564Z",
"structure_string": "Li4 Al1 Cr3 O8\n1.0\n5.037104 -0.000191 -0.000117\n-0.839038 4.971559 -0.008056\n-0.000955 -1.692526 5.563966\nLi Al Cr O\n4 1 3 8\ndirect\n0.750854 0.000304 0.875968 Li\n0.252670 0.998179 0.625589 Li\n0.747328 0.001821 0.374410 Li\n0.249144 0.999695 0.124031 Li\n0.499999 0.500000 -0.000001 Al\n0.999870 0.499267 0.751679 Cr\n0.499999 0.500000 0.500000 Cr\n0.000128 0.500732 0.248320 Cr\n0.624195 0.277044 0.702122 O\n0.375036 0.721039 0.813285 O\n0.128161 0.273579 0.443027 O\n0.871837 0.726421 0.556972 O\n0.624962 0.278961 0.186714 O\n0.375803 0.722955 0.297878 O\n0.140682 0.277090 0.944646 O\n0.859316 0.722910 0.055354 O\n",
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{
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"structure_string": "Li3 Al2 Cr1 O6\n1.0\n2.475080 4.287669 0.014525\n-2.475080 4.287669 -0.014525\n-1.680056 0.000000 4.742360\nLi Al Cr O\n3 2 1 6\ndirect\n0.165795 0.165795 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.834205 0.834206 0.500000 Li\n0.333225 0.333225 -0.000000 Al\n0.666776 0.666776 -0.000000 Al\n0.000000 0.000000 0.000000 Cr\n0.270926 0.729075 0.779847 O\n0.417453 0.926717 0.219022 O\n0.073283 0.582548 0.219022 O\n0.926716 0.417453 0.780978 O\n0.582547 0.073284 0.780978 O\n0.729074 0.270926 0.220153 O\n",
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"formula_full": "Li3 Al2 Cr1 O6",
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{
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"created_at": "2022-09-04T14:38:31.294292Z",
"updated_at": "2022-09-04T14:38:31.294318Z",
"structure_string": "Li4 Al1 Cr3 O8\n1.0\n5.033085 0.002348 -0.000043\n1.675920 4.754802 -2.905766\n0.000059 -0.000040 5.811508\nLi Al Cr O\n4 1 3 8\ndirect\n0.000002 -0.000002 0.000004 Li\n-0.000003 0.000002 0.500006 Li\n0.503922 -0.001151 0.249389 Li\n0.496075 0.001152 0.750542 Li\n0.000001 0.499999 0.500005 Al\n0.499999 0.500000 0.251838 Cr\n0.000001 0.500000 0.000011 Cr\n0.499999 0.500000 0.748167 Cr\n0.752141 0.277179 0.388592 O\n0.247858 0.722820 0.611413 O\n0.259058 0.725277 0.112639 O\n0.740942 0.274723 0.887361 O\n0.235759 0.277594 0.630809 O\n0.235760 0.277592 0.146798 O\n0.764241 0.722407 0.853217 O\n0.764239 0.722407 0.369207 O\n",
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"formula_full": "Li4 Al1 Cr3 O8",
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{
"id": "jvasp-80698",
"created_at": "2022-09-04T14:37:17.679126Z",
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"structure_string": "Al2 Cr1 Ir1\n1.0\n-10.609758 -0.000001 -6.125548\n-6.487519 -0.919847 -1.014383\n-5.265473 2.536621 -3.131027\nAl Cr Ir\n2 1 1\ndirect\n0.700662 -0.000000 0.000000 Al\n0.299338 -0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Cr\n0.500000 -0.000000 0.000000 Ir\n",
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}
]
}