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{
"id": "jvasp-4456",
"created_at": "2022-09-04T14:38:00.904476Z",
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{
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{
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"structure_string": "Tb4 Co4 I2\n1.0\n1.966448 -3.405988 0.000000\n1.966448 3.405988 0.000000\n0.000000 0.000000 16.917653\nTb Co I\n4 4 2\ndirect\n0.000000 0.000000 0.895884 Tb\n0.000000 0.000000 0.395884 Tb\n0.000000 0.000000 0.604116 Tb\n0.000000 0.000000 0.104116 Tb\n0.666668 0.333333 0.001495 Co\n0.333333 0.666668 0.998505 Co\n0.666668 0.333333 0.498505 Co\n0.333333 0.666668 0.501495 Co\n0.666668 0.333333 0.750000 I\n0.333333 0.666668 0.250000 I\n",
"nsites": 10,
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"elements": [
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"density": 8.245173050513495,
"density_atomic": 0.044126990723489225,
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"formula_full": "Tb4 Co4 I2",
"formula_reduced": "Tb2Co2I",
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{
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"created_at": "2022-09-04T14:37:49.832950Z",
"updated_at": "2022-09-04T14:37:49.832981Z",
"structure_string": "Pu4 In2 Rh4\n1.0\n7.543763 0.000000 -0.000000\n0.000000 7.543763 0.000000\n0.000000 -0.000000 3.719328\nPu In Rh\n4 2 4\ndirect\n0.664816 0.164816 0.500000 Pu\n0.164816 0.335184 0.500000 Pu\n0.835184 0.664816 0.500000 Pu\n0.335184 0.835184 0.500000 Pu\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.861273 0.361273 0.000000 Rh\n0.138726 0.638726 0.000000 Rh\n0.638726 0.861273 0.000000 Rh\n0.361273 0.138726 0.000000 Rh\n",
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"volume": 211.66085752657418,
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"formula_full": "Pu4 In2 Rh4",
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"spacegroup": 127
},
{
"id": "jvasp-55022",
"created_at": "2022-09-04T14:37:42.138056Z",
"updated_at": "2022-09-04T14:37:42.138075Z",
"structure_string": "Ba2 Bi4 Pd4\n1.0\n0.000000 5.010373 -0.009134\n4.929266 0.000000 0.000000\n0.000000 -0.267834 -10.963498\nBa Bi Pd\n2 4 4\ndirect\n0.259581 0.750001 0.759100 Ba\n0.740420 0.250000 0.240899 Ba\n0.210817 0.750001 0.119121 Bi\n0.248150 0.250000 0.501476 Bi\n0.751851 0.750001 0.498524 Bi\n0.789183 0.250000 0.880879 Bi\n0.751539 0.250000 0.626482 Pd\n0.306497 0.250000 0.001138 Pd\n0.248461 0.750001 0.373518 Pd\n0.693503 0.750001 0.998862 Pd\n",
"nsites": 10,
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"elements": [
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"formula_full": "Ba2 Bi4 Pd4",
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{
"id": "jvasp-15840",
"created_at": "2022-09-04T14:38:00.761087Z",
"updated_at": "2022-09-04T14:38:00.761106Z",
"structure_string": "Al1 Co2 Si2\n1.0\n1.971951 -3.415518 0.000000\n1.971951 3.415518 -0.000000\n0.000000 0.000000 4.646224\nAl Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.836472 Co\n0.666667 0.333333 0.163527 Co\n0.666667 0.333333 0.653221 Si\n0.333333 0.666667 0.346778 Si\n",
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"formula_full": "Al1 Co2 Si2",
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{
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"structure_string": "Th1 Ge2 Os2\n1.0\n4.028981 0.000000 -1.587094\n-0.625186 3.980180 -1.587094\n-0.015006 -0.017547 5.869421\nTh Ge Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.371132 0.371133 0.742268 Ge\n0.628865 0.628866 0.257732 Ge\n0.749999 0.250000 0.500000 Os\n0.249999 0.750000 0.500000 Os\n",
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"formula_full": "Th1 Ge2 Os2",
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{
"id": "jvasp-29701",
"created_at": "2022-09-04T14:38:03.924082Z",
"updated_at": "2022-09-04T14:38:03.924103Z",
"structure_string": "Lu2 C1 Cl2\n1.0\n3.525165 0.000540 8.573275\n1.694223 3.091341 8.573275\n0.000912 0.000540 9.269726\nLu C Cl\n2 1 2\ndirect\n0.880978 0.880980 0.880984 Lu\n0.119019 0.119019 0.119020 Lu\n0.499999 0.500000 0.500002 C\n0.277865 0.277866 0.277867 Cl\n0.722132 0.722134 0.722137 Cl\n",
"nsites": 5,
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"elements": [
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],
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{
"id": "jvasp-17557",
"created_at": "2022-09-04T14:37:57.279761Z",
"updated_at": "2022-09-04T14:37:57.279790Z",
"structure_string": "La1 Co2 Ge2\n1.0\n3.839381 -0.000000 -1.426930\n-0.530327 3.802578 -1.426930\n0.016317 0.018750 5.922599\nLa Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750000 0.500000 Co\n0.750000 0.250000 0.500000 Co\n0.637156 0.637157 0.274314 Ge\n0.362844 0.362844 0.725686 Ge\n",
"nsites": 5,
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{
"id": "jvasp-16274",
"created_at": "2022-09-04T14:37:41.368869Z",
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"structure_string": "Yb1 Si2 Rh2\n1.0\n3.835644 0.000000 -1.447395\n-0.546180 3.796558 -1.447395\n-0.026972 -0.031130 5.734515\nYb Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.625204 0.625205 0.250410 Si\n0.374796 0.374796 0.749590 Si\n0.749999 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
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},
{
"id": "jvasp-118774",
"created_at": "2022-09-04T14:38:53.626752Z",
"updated_at": "2022-09-04T14:38:53.626780Z",
"structure_string": "Sr2 Ti1 N2\n1.0\n-1.877723 1.877723 6.935076\n1.877723 -1.877723 6.935076\n1.877723 1.877723 -6.935076\nSr Ti N\n2 1 2\ndirect\n0.660139 0.660139 0.000000 Sr\n0.339861 0.339861 0.000000 Sr\n0.000000 0.000000 0.000000 Ti\n0.861853 0.861853 0.000000 N\n0.138148 0.138148 0.000000 N\n",
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{
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"structure_string": "Ca1 Al2 As2\n1.0\n1.999909 1.154648 8.505431\n-1.999909 1.154648 8.505431\n-0.000000 -2.309296 8.505431\nCa Al As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.449829 0.449829 0.449827 Al\n0.550173 0.550173 0.550171 Al\n0.258241 0.258241 0.258240 As\n0.741761 0.741761 0.741757 As\n",
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