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{
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{
"id": "jvasp-23724",
"created_at": "2022-09-04T14:37:34.093415Z",
"updated_at": "2022-09-04T14:37:34.093441Z",
"structure_string": "Ti20 Sb12\n1.0\n7.209585 -0.000000 0.000000\n-0.000000 8.348185 0.000000\n0.000000 0.000000 10.216298\nTi Sb\n20 12\ndirect\n0.793878 0.936337 0.053800 Ti\n0.826100 0.750000 0.782097 Ti\n0.326099 0.250000 0.717903 Ti\n0.173901 0.250000 0.217903 Ti\n0.673901 0.750000 0.282097 Ti\n0.521429 0.250000 0.995578 Ti\n0.978572 0.250000 0.495578 Ti\n0.478572 0.750000 0.004422 Ti\n0.317319 0.750000 0.735513 Ti\n0.817319 0.250000 0.764487 Ti\n0.021429 0.750000 0.504422 Ti\n0.182681 0.750000 0.235513 Ti\n0.293878 0.436336 0.446200 Ti\n0.793878 0.563664 0.053800 Ti\n0.706123 0.936337 0.553800 Ti\n0.206122 0.063664 0.946200 Ti\n0.706123 0.563664 0.553800 Ti\n0.206122 0.436336 0.946200 Ti\n0.293878 0.063664 0.446200 Ti\n0.682682 0.250000 0.264487 Ti\n0.909357 0.250000 0.025936 Sb\n0.409357 0.750000 0.474065 Sb\n0.435089 0.008867 0.179021 Sb\n0.935089 0.991133 0.320979 Sb\n0.564912 0.508868 0.820979 Sb\n0.435089 0.491133 0.179021 Sb\n0.564912 0.991133 0.820979 Sb\n0.064911 0.008867 0.679021 Sb\n0.935089 0.508868 0.320979 Sb\n0.590644 0.250000 0.525936 Sb\n0.064911 0.491133 0.679021 Sb\n0.090643 0.750000 0.974065 Sb\n",
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{
"id": "jvasp-56272",
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"structure_string": "Ti2 Sb2\n1.0\n1.908617 -3.305821 -0.000000\n1.908617 3.305821 -0.000000\n-0.000000 -0.000000 7.049966\nTi Sb\n2 2\ndirect\n0.333334 0.666668 0.250000 Ti\n0.666668 0.333334 0.750000 Ti\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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"spacegroup": 194
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{
"id": "jvasp-20425",
"created_at": "2022-09-04T14:38:35.428727Z",
"updated_at": "2022-09-04T14:38:35.428757Z",
"structure_string": "Ti2 Sb2\n1.0\n2.024891 -3.507213 0.000000\n2.024891 3.507213 -0.000000\n0.000000 0.000000 6.251538\nTi Sb\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
"nsites": 4,
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"elements": [
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"volume": 88.7933953879308,
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"formula_full": "Ti2 Sb2",
"formula_reduced": "TiSb",
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"spacegroup": 194
},
{
"id": "jvasp-56332",
"created_at": "2022-09-04T14:37:31.023177Z",
"updated_at": "2022-09-04T14:37:31.023204Z",
"structure_string": "Ti12 Sb4\n1.0\n4.932142 0.000000 1.754239\n2.466070 7.474346 0.877120\n-0.038655 -0.000000 7.919293\nTi Sb\n12 4\ndirect\n0.575822 0.708994 0.139360 Ti\n0.715182 0.860640 0.708993 Ti\n0.284817 0.139360 0.291007 Ti\n0.075822 0.139360 0.708993 Ti\n0.750000 -0.000000 0.000000 Ti\n0.784817 0.291007 0.139360 Ti\n0.424176 0.291007 0.860640 Ti\n0.250000 -0.000000 0.000000 Ti\n0.215182 0.708994 0.860640 Ti\n0.924177 0.860640 0.291007 Ti\n0.749999 0.500000 0.500000 Ti\n0.249999 0.500000 0.500000 Ti\n0.837649 0.500000 0.824701 Sb\n0.337649 0.824701 0.500000 Sb\n0.162350 0.500000 0.175300 Sb\n0.662349 0.175300 0.500000 Sb\n",
"nsites": 16,
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"elements": [
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"density": 6.02695129140926,
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"volume": 292.4478967534571,
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"formula_full": "Ti12 Sb4",
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"formula_anonymous": "AB3",
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"spacegroup": 140
},
{
"id": "jvasp-20613",
"created_at": "2022-09-04T14:38:12.477913Z",
"updated_at": "2022-09-04T14:38:12.477939Z",
"structure_string": "Ti2 Sb2\n1.0\n2.024891 -3.507213 0.000000\n2.024891 3.507213 -0.000000\n0.000000 0.000000 6.251538\nTi Sb\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
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"spacegroup": 194
},
{
"id": "jvasp-14786",
"created_at": "2022-09-04T14:38:32.658960Z",
"updated_at": "2022-09-04T14:38:32.658982Z",
"structure_string": "Ti2 Sb4\n1.0\n5.369656 -0.018149 -1.533102\n-3.060471 4.412149 -1.533102\n0.009538 0.018149 5.584221\nTi Sb\n2 4\ndirect\n0.750001 0.750000 0.000001 Ti\n0.250000 0.250000 0.000000 Ti\n0.847068 0.652934 0.500001 Sb\n0.347067 0.847067 0.194133 Sb\n0.152934 0.347067 0.500000 Sb\n0.652934 0.152934 0.805868 Sb\n",
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"elements": [
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"formula_full": "Ti2 Sb4",
"formula_reduced": "TiSb2",
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"spacegroup": 140
},
{
"id": "jvasp-110931",
"created_at": "2022-09-04T14:38:37.499850Z",
"updated_at": "2022-09-04T14:38:37.499869Z",
"structure_string": "Ti4 Sb2\n1.0\n3.805917 0.002118 -6.902705\n-0.250340 3.797676 -6.902705\n-0.001982 -0.002118 7.882407\nTi Sb\n4 2\ndirect\n0.170278 0.170279 0.000001 Ti\n0.829722 0.829723 0.000003 Ti\n0.500001 0.000000 0.500001 Ti\n0.000000 0.500000 0.500001 Ti\n0.359221 0.359221 0.000001 Sb\n0.640780 0.640780 0.000002 Sb\n",
"nsites": 6,
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"elements": [
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"density": 6.34597795398176,
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"volume": 113.82241992331336,
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"formula_full": "Ti4 Sb2",
"formula_reduced": "Ti2Sb",
"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "jvasp-15849",
"created_at": "2022-09-04T14:38:29.785210Z",
"updated_at": "2022-09-04T14:38:29.785232Z",
"structure_string": "Ti2 Se2\n1.0\n1.727832 -2.992693 0.000000\n1.727832 2.992693 0.000000\n0.000000 -0.000000 6.886765\nTi Se\n2 2\ndirect\n0.666666 0.333333 0.750001 Ti\n0.333333 0.666666 0.250000 Ti\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"elements": [
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"density": 5.914007523399827,
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"volume": 71.22114314748399,
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"formula_full": "Ti2 Se2",
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"spacegroup": 194
},
{
"id": "jvasp-96848",
"created_at": "2022-09-04T14:35:52.958687Z",
"updated_at": "2022-09-04T14:35:52.958716Z",
"structure_string": "Ti24 Se12\n1.0\n3.459233 0.000000 0.000000\n0.000000 11.757221 0.000000\n0.000000 -0.000000 14.517035\nTi Se\n24 12\ndirect\n0.500000 0.357168 0.521037 Ti\n0.500000 0.685569 0.704603 Ti\n0.000000 0.907124 0.738714 Ti\n0.500000 0.407124 0.761287 Ti\n0.500000 0.314431 0.295397 Ti\n0.000000 0.142832 0.021036 Ti\n0.000000 0.112802 0.573660 Ti\n0.500000 0.592875 0.238713 Ti\n0.000000 0.414033 0.924625 Ti\n0.500000 0.028468 0.892199 Ti\n0.000000 0.528468 0.607801 Ti\n0.000000 0.857168 0.978964 Ti\n0.000000 0.585967 0.075375 Ti\n0.000000 0.814431 0.204603 Ti\n0.000000 0.092876 0.261287 Ti\n0.000000 0.185569 0.795397 Ti\n0.500000 0.387198 0.073660 Ti\n0.000000 0.471532 0.392199 Ti\n0.500000 0.642832 0.478964 Ti\n0.500000 0.612802 0.926340 Ti\n0.500000 0.971531 0.107801 Ti\n0.500000 0.914033 0.575375 Ti\n0.000000 0.887198 0.426340 Ti\n0.500000 0.085967 0.424625 Ti\n0.500000 0.811891 0.849470 Se\n0.500000 0.065824 0.705871 Se\n0.000000 0.245425 0.414180 Se\n0.000000 0.434176 0.205871 Se\n0.000000 0.688109 0.349470 Se\n0.000000 0.311891 0.650531 Se\n0.500000 0.934176 0.294129 Se\n0.000000 0.565824 0.794129 Se\n0.500000 0.188109 0.150530 Se\n0.000000 0.754575 0.585820 Se\n0.500000 0.745425 0.085820 Se\n0.500000 0.254575 0.914180 Se\n",
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"formula_full": "Ti24 Se12",
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{
"id": "jvasp-17184",
"created_at": "2022-09-04T14:37:41.971177Z",
"updated_at": "2022-09-04T14:37:41.971187Z",
"structure_string": "Ti2 Se2\n1.0\n4.165753 0.000000 0.000000\n-0.000000 4.165753 0.000000\n-0.000000 0.000000 5.429124\nTi Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.265607 Se\n0.500000 0.000000 0.734392 Se\n",
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{
"id": "jvasp-79265",
"created_at": "2022-09-04T14:36:40.556651Z",
"updated_at": "2022-09-04T14:36:40.556676Z",
"structure_string": "Ti2 Se2\n1.0\n3.443290 -0.000000 -0.000000\n-1.721646 2.981977 0.000000\n-0.000000 0.000000 6.767042\nTi Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333332 0.666668 0.250000 Se\n0.666667 0.333333 0.750000 Se\n",
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{
"id": "jvasp-90497",
"created_at": "2022-09-04T14:36:14.438299Z",
"updated_at": "2022-09-04T14:36:14.438315Z",
"structure_string": "Ti4 Se4\n1.0\n3.492616 0.000000 0.000000\n-0.000000 6.255603 0.000000\n0.000000 0.000000 6.468971\nTi Se\n4 4\ndirect\n0.250000 0.693518 0.506474 Ti\n0.250000 0.806482 0.006474 Ti\n0.750001 0.306482 0.493526 Ti\n0.750001 0.193518 0.993526 Ti\n0.750001 0.919141 0.283658 Se\n0.250000 0.080859 0.716342 Se\n0.250000 0.419141 0.216342 Se\n0.750001 0.580859 0.783658 Se\n",
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]
}