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{
"id": "jvasp-117128",
"created_at": "2022-09-04T14:38:46.311535Z",
"updated_at": "2022-09-04T14:38:46.311555Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n4.744310 -0.020120 -1.605130\n-0.355502 5.571451 -1.053197\n-0.008434 -0.016689 7.512637\nLi Mn Co O\n7 4 1 12\ndirect\n0.489652 0.248967 0.991847 Li\n0.508976 0.580757 0.335625 Li\n0.493450 0.748936 0.997815 Li\n0.516322 0.091269 0.345391 Li\n0.500170 0.930416 0.667512 Li\n0.492625 0.401631 0.663580 Li\n-0.000244 0.167977 0.664315 Li\n0.999480 0.002137 -0.004021 Mn\n0.995631 0.664320 0.666012 Mn\n-0.001972 0.495744 0.994178 Mn\n0.004362 0.838139 0.341332 Mn\n0.002513 0.332458 0.336165 Co\n0.227412 0.946886 0.835479 O\n0.221901 0.289830 0.157244 O\n0.229169 0.470052 0.835224 O\n0.220917 0.788185 0.159927 O\n0.223520 0.624051 0.495713 O\n0.232423 0.116180 0.483160 O\n0.782076 0.546251 0.172656 O\n0.770877 0.863960 0.497844 O\n0.781414 0.041643 0.174541 O\n0.773620 0.389335 0.502088 O\n0.765383 0.211354 0.849309 O\n0.770338 0.709518 0.837071 O\n",
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{
"id": "jvasp-116924",
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"updated_at": "2022-09-04T14:38:46.317164Z",
"structure_string": "Ba4 Y2 In2 Te10\n1.0\n10.427337 -0.091940 0.000000\n-9.385796 4.543637 0.000000\n-0.000000 -0.000000 14.251698\nBa Y In Te\n4 2 2 10\ndirect\n0.131264 0.868737 0.815910 Ba\n0.868736 0.131264 0.315910 Ba\n0.119400 0.880601 0.182881 Ba\n0.880601 0.119399 0.682881 Ba\n0.208986 0.791015 0.517575 Y\n0.791015 0.208986 0.017575 Y\n0.445489 0.554511 0.934663 In\n0.554511 0.445489 0.434663 In\n0.494931 0.505069 0.260175 Te\n0.505069 0.494931 0.760175 Te\n0.690211 0.309790 0.364750 Te\n0.309790 0.690211 0.864750 Te\n0.356125 0.643875 0.501479 Te\n0.292050 0.707951 0.160773 Te\n0.643875 0.356125 0.001479 Te\n0.049415 0.950586 0.554316 Te\n0.707950 0.292050 0.660773 Te\n0.950585 0.049415 0.054316 Te\n",
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"formula_full": "Ba4 Y2 In2 Te10",
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"formula_anonymous": "ABC2D5",
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{
"id": "jvasp-120576",
"created_at": "2022-09-04T14:38:46.320987Z",
"updated_at": "2022-09-04T14:38:46.321008Z",
"structure_string": "Cd2 Te2 Mo2 O12\n1.0\n5.314162 -0.000000 0.000000\n0.000000 5.314162 0.000000\n-0.000000 -0.000000 9.079614\nCd Te Mo O\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.000000 0.763764 Te\n-0.000000 0.500000 0.236235 Te\n0.500000 0.000000 0.182863 Mo\n-0.000000 0.500000 0.817136 Mo\n0.818459 0.681540 0.933472 O\n0.305396 0.194604 0.626721 O\n0.283322 0.216677 0.284282 O\n0.694604 0.805396 0.626721 O\n0.216677 0.716677 0.715717 O\n0.194604 0.694604 0.373278 O\n0.805396 0.305396 0.373278 O\n0.181540 0.318460 0.933472 O\n0.318460 0.818459 0.066528 O\n0.681540 0.181540 0.066528 O\n0.783322 0.283322 0.715717 O\n0.716677 0.783322 0.284282 O\n",
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"spacegroup": 113
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{
"id": "jvasp-115385",
"created_at": "2022-09-04T14:38:46.324861Z",
"updated_at": "2022-09-04T14:38:46.324888Z",
"structure_string": "Pb1 S2\n1.0\n8.530963 0.000000 -0.177474\n0.000000 3.735045 0.000000\n-0.147343 0.000000 7.037321\nPb S\n1 2\ndirect\n0.611847 0.000000 -0.016500 Pb\n-0.212938 0.000000 -0.232463 S\n0.001090 0.000000 0.648963 S\n",
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{
"id": "jvasp-112994",
"created_at": "2022-09-04T14:38:46.325822Z",
"updated_at": "2022-09-04T14:38:46.325853Z",
"structure_string": "Y1 Ga3 B4 O12\n1.0\n5.854249 -0.003680 -1.472780\n-1.888335 5.541339 -1.472780\n-0.002636 -0.003680 6.036664\nY Ga B O\n1 3 4 12\ndirect\n0.500000 0.500000 0.500000 Y\n0.050126 0.949874 0.500000 Ga\n0.949875 0.500000 0.050126 Ga\n0.499999 0.050126 0.949873 Ga\n0.447357 0.552644 0.000000 B\n0.552643 0.000000 0.447356 B\n-0.000000 0.447356 0.552643 B\n0.000000 0.000000 0.000000 B\n0.592368 0.407633 0.000000 O\n0.000001 0.854706 0.145294 O\n0.145294 0.000000 0.854705 O\n0.854706 0.145294 0.000000 O\n0.867376 0.471411 0.708345 O\n0.528589 0.132624 0.291654 O\n0.132624 0.291654 0.528589 O\n0.708346 0.867376 0.471411 O\n0.407632 0.000000 0.592367 O\n0.291655 0.528589 0.132624 O\n0.471411 0.708346 0.867375 O\n0.000000 0.592368 0.407632 O\n",
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],
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"formula_full": "Y1 Ga3 B4 O12",
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{
"id": "jvasp-113052",
"created_at": "2022-09-04T14:38:46.326885Z",
"updated_at": "2022-09-04T14:38:46.326906Z",
"structure_string": "V2 Co6 As2 O16\n1.0\n6.474510 0.092014 -0.018527\n3.744409 5.282722 -0.018527\n-0.035971 -0.018919 8.291667\nV Co As O\n2 6 2 16\ndirect\n0.625846 0.625844 0.883394 V\n0.374155 0.374155 0.116606 V\n0.500001 0.499999 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.884342 0.367828 0.249611 Co\n0.632171 0.115658 0.750389 Co\n0.115659 0.632170 0.750389 Co\n0.367830 0.884341 0.249611 Co\n0.131482 0.131482 0.616269 As\n0.868519 0.868517 0.383731 As\n0.365911 0.879853 0.497666 O\n0.120147 0.634089 0.502334 O\n0.377656 0.857882 0.004574 O\n0.142118 0.622345 0.995425 O\n0.634090 0.120146 0.502334 O\n0.879854 0.365909 0.497666 O\n0.990699 0.990697 0.251139 O\n0.753425 0.753423 0.770383 O\n0.502357 0.502356 0.746793 O\n0.497644 0.497643 0.253206 O\n0.246576 0.246576 0.229616 O\n0.857883 0.377654 0.004574 O\n0.254143 0.254142 0.738226 O\n0.745858 0.745857 0.261773 O\n0.009302 0.009301 0.748861 O\n0.622346 0.142117 0.995425 O\n",
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"elements": [
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],
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"formula_full": "V2 Co6 As2 O16",
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"spacegroup": 12
},
{
"id": "jvasp-117133",
"created_at": "2022-09-04T14:38:46.328056Z",
"updated_at": "2022-09-04T14:38:46.328074Z",
"structure_string": "Li2 Mn3 Fe1 O8\n1.0\n4.975504 0.035632 2.907328\n1.685363 4.681502 2.907328\n0.050315 0.035632 5.762435\nLi Mn Fe O\n2 3 1 8\ndirect\n0.878782 0.878783 0.878787 Li\n0.503539 0.503539 0.503541 Li\n0.993390 0.501007 0.501010 Mn\n0.501007 0.993390 0.501010 Mn\n0.501007 0.501007 0.993394 Mn\n0.119168 0.119168 0.119168 Fe\n0.738561 0.738562 0.738565 O\n0.748864 0.748864 0.285272 O\n0.748864 0.285270 0.748867 O\n0.285270 0.748864 0.748867 O\n0.728440 0.249018 0.249020 O\n0.249018 0.728440 0.249020 O\n0.249018 0.249018 0.728442 O\n0.255059 0.255059 0.255060 O\n",
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{
"id": "jvasp-113211",
"created_at": "2022-09-04T14:38:46.328286Z",
"updated_at": "2022-09-04T14:38:46.328303Z",
"structure_string": "Cr4 O4 F4\n1.0\n4.508060 0.000001 -0.000006\n-0.000006 5.530308 -0.135886\n0.000003 0.005901 5.064837\nCr O F\n4 4 4\ndirect\n0.979595 0.149516 0.273761 Cr\n0.479594 0.350485 0.726238 Cr\n0.520404 0.649515 0.273760 Cr\n0.020404 0.850485 0.726239 Cr\n0.771379 0.888071 0.426801 O\n0.728620 0.388070 0.426802 O\n0.271379 0.611930 0.573197 O\n0.228620 0.111930 0.573198 O\n0.243621 0.887330 0.080036 F\n0.256378 0.387330 0.080037 F\n0.743621 0.612670 0.919963 F\n0.756378 0.112670 0.919963 F\n",
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"spacegroup": 14
},
{
"id": "jvasp-113080",
"created_at": "2022-09-04T14:38:46.332672Z",
"updated_at": "2022-09-04T14:38:46.332698Z",
"structure_string": "Mn8 Nb3 Al1\n1.0\n4.756686 -0.000000 0.000000\n-2.378343 4.119411 0.000000\n-0.000000 -0.000000 7.864684\nMn Nb Al\n8 3 1\ndirect\n0.333334 0.666667 0.500862 Mn\n0.333334 0.666667 0.010937 Mn\n0.504086 0.008173 0.748137 Mn\n0.504087 0.495914 0.748137 Mn\n0.991828 0.495914 0.748137 Mn\n0.159866 0.319732 0.251516 Mn\n0.159866 0.840134 0.251516 Mn\n0.680269 0.840134 0.251516 Mn\n0.666667 0.333333 0.442512 Nb\n0.666667 0.333333 0.064636 Nb\n0.000000 0.000000 0.921740 Nb\n0.000000 0.000000 0.560301 Al\n",
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{
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"created_at": "2022-09-04T14:38:46.336904Z",
"updated_at": "2022-09-04T14:38:46.336926Z",
"structure_string": "Ba1 Pb1 F2\n1.0\n3.735873 0.000000 0.000000\n-0.000000 3.735873 -0.000000\n-0.000000 0.000000 7.253023\nBa Pb F\n1 1 2\ndirect\n0.500000 0.500000 0.475954 Ba\n0.000000 0.000000 0.921285 Pb\n0.000000 0.000000 0.465485 F\n0.500000 0.500000 0.147275 F\n",
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{
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"structure_string": "Yb1 Fe4 Sb12\n1.0\n7.515165 0.000000 -2.657012\n-3.757583 6.508324 -2.657012\n0.000000 0.000000 7.971037\nYb Fe Sb\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.494653 0.161521 0.333131 Sb\n0.505348 0.838478 0.666870 Sb\n0.333131 0.171611 0.838479 Sb\n0.666869 0.828389 0.161522 Sb\n0.333131 0.494652 0.161522 Sb\n0.838479 0.333131 0.171611 Sb\n0.171611 0.838478 0.333131 Sb\n0.161522 0.666869 0.828390 Sb\n0.161522 0.333131 0.494653 Sb\n0.838479 0.666869 0.505348 Sb\n0.666869 0.505347 0.838479 Sb\n0.828390 0.161521 0.666870 Sb\n",
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{
"id": "jvasp-120249",
"created_at": "2022-09-04T14:38:46.340808Z",
"updated_at": "2022-09-04T14:38:46.340831Z",
"structure_string": "Hf1 Si1 Te1\n1.0\n5.150724 -0.000000 -0.000000\n-2.575362 4.460658 0.000000\n0.000000 -0.000000 2.965046\nHf Si Te\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.333333 0.666667 0.000000 Si\n0.666666 0.333333 0.000000 Te\n",
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}
]
}