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{
"id": "jvasp-15734",
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"updated_at": "2022-09-04T14:35:54.083855Z",
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{
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"structure_string": "Ti4 Si4 Ir4\n1.0\n3.881154 0.000000 0.000000\n0.000000 6.279230 0.000000\n0.000000 0.000000 7.256737\nTi Si Ir\n4 4 4\ndirect\n0.250000 0.023255 0.820384 Ti\n0.250000 0.523255 0.679617 Ti\n0.749999 0.976745 0.179617 Ti\n0.749999 0.476745 0.320384 Ti\n0.250000 0.771217 0.376629 Si\n0.250000 0.271217 0.123371 Si\n0.749999 0.228783 0.623371 Si\n0.749999 0.728783 0.876629 Si\n0.250000 0.157419 0.437911 Ir\n0.250000 0.657419 0.062089 Ir\n0.749999 0.842581 0.562089 Ir\n0.749999 0.342581 0.937911 Ir\n",
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{
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"nsites": 12,
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"formula_full": "Ti4 Si4 Ni4",
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"spacegroup": 62
},
{
"id": "jvasp-53306",
"created_at": "2022-09-04T14:36:31.220811Z",
"updated_at": "2022-09-04T14:36:31.220844Z",
"structure_string": "Ti4 Si4 Rh4\n1.0\n3.838498 -0.000000 0.000000\n-0.000000 6.284155 0.000000\n0.000000 0.000000 7.279247\nTi Si Rh\n4 4 4\ndirect\n0.750000 0.524265 0.316742 Ti\n0.750000 0.024265 0.183258 Ti\n0.250000 0.975734 0.816742 Ti\n0.250000 0.475734 0.683259 Ti\n0.250000 0.732136 0.120516 Si\n0.750000 0.267863 0.879484 Si\n0.250000 0.232136 0.379484 Si\n0.750000 0.767863 0.620516 Si\n0.750000 0.652663 0.935622 Rh\n0.250000 0.847336 0.435622 Rh\n0.750000 0.152663 0.564379 Rh\n0.250000 0.347337 0.064378 Rh\n",
"nsites": 12,
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"elements": [
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"density": 6.765856706472435,
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"volume": 175.5879317336546,
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"formula_full": "Ti4 Si4 Rh4",
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{
"id": "jvasp-18792",
"created_at": "2022-09-04T14:36:21.510852Z",
"updated_at": "2022-09-04T14:36:21.510873Z",
"structure_string": "Ti4 Sn2\n1.0\n2.372943 -4.110058 -0.000000\n2.372943 4.110058 -0.000000\n0.000000 0.000000 5.618725\nTi Sn\n4 2\ndirect\n0.666667 0.333332 0.750001 Ti\n0.333332 0.666667 0.250000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.666667 0.333332 0.250000 Sn\n0.333332 0.666667 0.750001 Sn\n",
"nsites": 6,
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{
"id": "jvasp-15279",
"created_at": "2022-09-04T14:36:33.414840Z",
"updated_at": "2022-09-04T14:36:33.414866Z",
"structure_string": "Ti4 Sn2 C2\n1.0\n1.590526 -2.754872 0.000000\n1.590526 2.754872 -0.000000\n-0.000000 0.000000 13.743769\nTi Sn C\n4 2 2\ndirect\n0.333335 0.666668 0.080910 Ti\n0.333335 0.666668 0.419090 Ti\n0.666668 0.333335 0.580910 Ti\n0.666668 0.333335 0.919091 Ti\n0.333335 0.666668 0.750000 Sn\n0.666668 0.333335 0.250000 Sn\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"elements": [
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"formula_full": "Ti4 Sn2 C2",
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"spacegroup": 194
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{
"id": "jvasp-13824",
"created_at": "2022-09-04T14:36:13.005740Z",
"updated_at": "2022-09-04T14:36:13.005768Z",
"structure_string": "Ti4 Sn2 C2\n1.0\n1.590526 -2.754872 -0.000000\n1.590526 2.754872 -0.000000\n0.000000 0.000000 13.743769\nTi Sn C\n4 2 2\ndirect\n0.333335 0.666668 0.080910 Ti\n0.333335 0.666668 0.419090 Ti\n0.666668 0.333335 0.580910 Ti\n0.666668 0.333335 0.919091 Ti\n0.333335 0.666668 0.750000 Sn\n0.666668 0.333335 0.250000 Sn\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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},
{
"id": "jvasp-96861",
"created_at": "2022-09-04T14:36:13.991546Z",
"updated_at": "2022-09-04T14:36:13.991561Z",
"structure_string": "Ti4 Sn4 Sb4\n1.0\n5.301662 0.000000 1.519601\n2.650831 4.923355 0.759801\n-0.049231 -0.000000 10.179916\nTi Sn Sb\n4 4 4\ndirect\n0.001425 0.250000 0.997152 Ti\n0.748576 0.250000 0.502848 Ti\n0.998576 0.749999 0.002848 Ti\n0.251424 0.749999 0.497152 Ti\n0.707814 0.584372 0.250000 Sn\n0.042187 0.915627 0.250000 Sn\n0.292186 0.415627 0.750000 Sn\n0.957814 0.084372 0.750000 Sn\n0.452514 0.250000 0.094972 Sb\n0.297486 0.250000 0.405028 Sb\n0.547486 0.749999 0.905028 Sb\n0.702514 0.749999 0.594972 Sb\n",
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"volume": 266.0841255945094,
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"formula_full": "Ti4 Sn4 Sb4",
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{
"id": "jvasp-97947",
"created_at": "2022-09-04T14:36:17.493829Z",
"updated_at": "2022-09-04T14:36:17.493855Z",
"structure_string": "Ti4 Sn4 Sb4\n1.0\n5.304585 0.000000 1.520439\n2.652292 4.919770 0.760219\n-0.047460 -0.000000 10.179251\nTi Sn Sb\n4 4 4\ndirect\n0.001441 0.250000 0.997118 Ti\n0.748558 0.250000 0.502882 Ti\n0.998558 0.750000 0.002882 Ti\n0.251440 0.750000 0.497119 Ti\n0.707741 0.584517 0.250000 Sn\n0.042258 0.915483 0.250000 Sn\n0.292258 0.415483 0.750000 Sn\n0.957741 0.084517 0.750000 Sn\n0.452539 0.250000 0.094921 Sb\n0.297460 0.250000 0.405080 Sb\n0.547459 0.750000 0.905080 Sb\n0.702539 0.750000 0.594921 Sb\n",
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{
"id": "jvasp-89016",
"created_at": "2022-09-04T14:35:42.323293Z",
"updated_at": "2022-09-04T14:35:42.323330Z",
"structure_string": "Ti4 Sn8 O16\n1.0\n5.980016 -0.000000 -0.000000\n-0.000000 8.573602 0.000000\n-0.000000 0.000000 8.573602\nTi Sn O\n4 8 16\ndirect\n0.250000 0.000000 0.500000 Ti\n0.750000 0.500000 0.000000 Ti\n0.750000 0.000000 0.500000 Ti\n0.250000 0.500000 0.000000 Ti\n0.000000 0.146456 0.161290 Sn\n0.500000 0.161290 0.853544 Sn\n0.000000 0.853544 0.838709 Sn\n0.000000 0.646456 0.338710 Sn\n0.000000 0.353544 0.661290 Sn\n0.500000 0.661290 0.646456 Sn\n0.500000 0.338710 0.353544 Sn\n0.500000 0.838709 0.146456 Sn\n0.250000 0.336538 0.836538 O\n0.750000 0.163462 0.336538 O\n0.500000 0.879856 0.402698 O\n0.750000 0.336538 0.836538 O\n0.250000 0.163462 0.336538 O\n0.250000 0.836538 0.663462 O\n0.750000 0.663462 0.163462 O\n0.000000 0.097302 0.620143 O\n0.500000 0.379856 0.097302 O\n0.500000 0.620143 0.902698 O\n0.000000 0.902698 0.379856 O\n0.000000 0.597302 0.879856 O\n0.000000 0.402698 0.120144 O\n0.500000 0.120144 0.597302 O\n0.250000 0.663462 0.163462 O\n0.750000 0.836538 0.663462 O\n",
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{
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"created_at": "2022-09-04T14:38:12.945546Z",
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"structure_string": "Ti4 Te12 O32\n1.0\n8.970734 -0.000000 -3.171634\n-4.485367 7.768883 -3.171634\n0.000000 0.000000 9.514900\nTi Te O\n4 12 32\ndirect\n0.499999 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.500000 0.500000 Ti\n0.500000 -0.000000 0.500000 Ti\n0.966861 0.716862 0.250000 Te\n0.749999 0.533138 0.783138 Te\n0.750000 0.033138 0.283138 Te\n0.249999 0.966862 0.716862 Te\n0.466862 0.216862 0.250000 Te\n0.283137 0.750000 0.033138 Te\n0.033138 0.283138 0.750000 Te\n0.250000 0.466862 0.216862 Te\n0.716862 0.250000 0.966862 Te\n0.533137 0.783138 0.750000 Te\n0.216862 0.250000 0.466862 Te\n0.783137 0.750000 0.533138 Te\n0.829495 0.566041 0.522144 O\n0.456102 0.692648 0.022144 O\n0.807352 0.263454 0.329496 O\n0.043897 0.066041 0.236546 O\n0.477856 0.170504 0.433959 O\n0.977855 0.543897 0.307352 O\n0.736545 0.670504 0.192648 O\n0.763453 0.956102 0.933959 O\n0.848538 0.500000 0.000000 O\n0.670504 0.192648 0.736546 O\n0.500000 -0.000000 0.848539 O\n-0.000000 0.848538 0.500000 O\n0.651461 0.651461 0.651461 O\n0.151461 0.500000 0.000000 O\n0.500000 0.000000 0.151461 O\n-0.000000 0.151461 0.500000 O\n0.348538 0.348539 0.348539 O\n0.022144 0.456103 0.692648 O\n0.263454 0.329496 0.807352 O\n0.307351 0.977856 0.543897 O\n0.236546 0.043897 0.066041 O\n0.433958 0.477856 0.170504 O\n0.692648 0.022144 0.456103 O\n0.329495 0.807352 0.263454 O\n0.066041 0.236546 0.043897 O\n0.522143 0.829496 0.566041 O\n0.956102 0.933958 0.763454 O\n0.192647 0.736546 0.670504 O\n0.543897 0.307352 0.977856 O\n0.933958 0.763454 0.956103 O\n0.170504 0.433959 0.477856 O\n0.566041 0.522144 0.829496 O\n",
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{
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"created_at": "2022-09-04T14:36:49.970252Z",
"updated_at": "2022-09-04T14:36:49.970270Z",
"structure_string": "Ti4 Te6\n1.0\n6.042677 0.000220 4.357458\n2.230139 5.616086 4.357458\n0.000323 0.000220 7.449925\nTi Te\n4 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.160141 0.160141 0.160141 Ti\n0.839858 0.839859 0.839858 Ti\n0.000000 0.000000 0.000000 Ti\n0.923090 0.574517 0.264276 Te\n0.264276 0.923090 0.574516 Te\n0.574516 0.264277 0.923089 Te\n0.425483 0.735724 0.076911 Te\n0.735724 0.076911 0.425483 Te\n0.076910 0.425484 0.735723 Te\n",
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]
}