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"updated_at": "2022-09-04T14:36:31.687200Z",
"structure_string": "U2 Sb2 Te2\n1.0\n4.327532 0.000000 0.000000\n0.000000 4.327532 0.000000\n-0.000000 0.000000 9.084898\nU Sb Te\n2 2 2\ndirect\n0.500000 0.000000 0.730082 U\n0.000000 0.500000 0.269918 U\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.630523 Te\n0.500000 0.000000 0.369477 Te\n",
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{
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"structure_string": "U2 Sb1 Te1\n1.0\n4.295261 -0.004626 5.748309\n1.907100 3.848670 5.748309\n-0.007464 -0.004626 7.175812\nU Sb Te\n2 1 1\ndirect\n0.250863 0.250862 0.250863 U\n0.749138 0.749136 0.749137 U\n0.000000 0.000000 0.000000 Sb\n0.500001 0.499999 0.500000 Te\n",
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{
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"structure_string": "Yb2 Sb4 Te8\n1.0\n7.967059 0.000000 -2.879649\n-3.953894 6.951008 -2.795824\n-0.059272 -0.000000 8.471299\nYb Sb Te\n2 4 8\ndirect\n0.125001 0.750000 0.875001 Yb\n0.375000 0.250000 0.625000 Yb\n0.250000 0.506444 0.256445 Sb\n0.750001 0.993556 0.243557 Sb\n0.743556 0.493556 0.250000 Sb\n0.756444 0.006444 0.750000 Sb\n0.004261 0.913588 0.536515 Te\n0.036515 0.413589 0.504260 Te\n0.495741 0.032254 0.909328 Te\n0.090672 0.086412 0.122927 Te\n0.409328 0.532255 0.995741 Te\n0.622927 0.586413 0.590673 Te\n0.463487 0.967746 0.377074 Te\n0.877074 0.467746 0.963486 Te\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.029917955067062834,
"volume": 467.94642109122054,
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"formula_full": "Yb2 Sb4 Te8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 122
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{
"id": "jvasp-9160",
"created_at": "2022-09-04T14:37:19.122726Z",
"updated_at": "2022-09-04T14:37:19.122744Z",
"structure_string": "Th6 Sb8\n1.0\n7.727157 0.000000 -2.731962\n-3.863578 6.691913 -2.731962\n-0.000000 -0.000000 8.195887\nTh Sb\n6 8\ndirect\n0.750000 0.875000 0.125000 Th\n0.625000 0.375000 0.250000 Th\n0.875000 0.125000 0.750001 Th\n0.125000 0.750000 0.875000 Th\n0.375000 0.250000 0.625000 Th\n0.250000 0.625000 0.375000 Th\n0.659110 0.659109 0.659110 Sb\n0.340890 0.500000 0.000000 Sb\n0.500000 -0.000000 0.340891 Sb\n-0.000000 0.340890 0.500000 Sb\n0.500000 -0.000000 0.840891 Sb\n-0.000000 0.840890 0.500000 Sb\n0.159110 0.159110 0.159110 Sb\n0.840890 0.500000 0.000000 Sb\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Sb-Th",
"density": 9.271594967340395,
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"volume": 423.8049105082218,
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"formula_full": "Th6 Sb8",
"formula_reduced": "Th3Sb4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.564007314285714,
"spacegroup": 220
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{
"id": "jvasp-16284",
"created_at": "2022-09-04T14:37:27.697816Z",
"updated_at": "2022-09-04T14:37:27.697846Z",
"structure_string": "Th1 Sb1\n1.0\n3.872013 0.000000 -0.000000\n0.000000 3.872013 -0.000000\n0.000000 0.000000 3.872013\nTh Sb\n1 1\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 Sb\n",
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"elements": [
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"spacegroup": 221
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{
"id": "jvasp-14888",
"created_at": "2022-09-04T14:36:21.655780Z",
"updated_at": "2022-09-04T14:36:21.655809Z",
"structure_string": "Th2 Sb4\n1.0\n4.420824 0.000000 -0.000000\n0.000000 4.420824 0.000000\n-0.000000 0.000000 9.212310\nTh Sb\n2 4\ndirect\n0.000000 0.500000 0.276097 Th\n0.500000 0.000000 0.723903 Th\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.633695 Sb\n0.500000 0.000000 0.366305 Sb\n",
"nsites": 6,
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"density": 8.772182239266495,
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"volume": 180.04248327894695,
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"formula_full": "Th2 Sb4",
"formula_reduced": "ThSb2",
"formula_anonymous": "AB2",
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"spacegroup": 129
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{
"id": "jvasp-19958",
"created_at": "2022-09-04T14:37:33.910310Z",
"updated_at": "2022-09-04T14:37:33.910341Z",
"structure_string": "Th1 Sb1\n1.0\n3.904314 -0.000000 2.254157\n1.301438 3.681022 2.254157\n0.000000 0.000000 4.508313\nTh Sb\n1 1\ndirect\n0.500000 0.500000 0.500001 Th\n0.000000 0.000000 0.000000 Sb\n",
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"spacegroup": 225
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{
"id": "jvasp-103040",
"created_at": "2022-09-04T14:36:34.775132Z",
"updated_at": "2022-09-04T14:36:34.775160Z",
"structure_string": "Th1 U1 Sb4\n1.0\n4.372698 -0.000000 -0.000000\n0.000000 4.372698 0.000000\n-0.000000 -0.000000 8.980123\nTh U Sb\n1 1 4\ndirect\n0.500000 0.500000 0.723693 Th\n0.000000 0.000000 0.278023 U\n0.500000 0.000000 0.008313 Sb\n0.000000 0.500000 0.008313 Sb\n0.500000 0.500000 0.354426 Sb\n0.000000 0.000000 0.627232 Sb\n",
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"formula_full": "Th1 U1 Sb4",
"formula_reduced": "ThUSb4",
"formula_anonymous": "ABC4",
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"spacegroup": 99
},
{
"id": "jvasp-19703",
"created_at": "2022-09-04T14:37:55.862099Z",
"updated_at": "2022-09-04T14:37:55.862120Z",
"structure_string": "Ti6 Sb2\n1.0\n5.211058 0.000000 -0.000000\n0.000000 5.211058 -0.000000\n0.000000 0.000000 5.211058\nTi Sb\n6 2\ndirect\n0.500000 0.250000 0.000000 Ti\n0.500000 0.750000 0.000000 Ti\n0.250000 0.000000 0.500000 Ti\n0.750000 0.000000 0.500000 Ti\n0.000000 0.500000 0.250000 Ti\n0.000000 0.500000 0.750000 Ti\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n",
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{
"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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{
"id": "jvasp-56272",
"created_at": "2022-09-04T14:37:49.089580Z",
"updated_at": "2022-09-04T14:37:49.089600Z",
"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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{
"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",
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}