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{
"id": "jvasp-108969",
"created_at": "2022-09-04T14:38:27.542769Z",
"updated_at": "2022-09-04T14:38:27.542796Z",
"structure_string": "Sr2 Sb1 Au1\n1.0\n4.815598 -0.000000 2.780287\n1.605199 4.540189 2.780287\n-0.000000 -0.000000 5.560574\nSr Sb Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n",
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{
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"structure_string": "K1 Be1 Bi1\n1.0\n-1.923200 1.923200 6.162937\n1.923200 -1.923200 6.162937\n1.923200 1.923200 -6.162937\nK Be Bi\n1 1 1\ndirect\n0.674047 0.674047 0.000000 K\n0.930050 0.930050 0.000000 Be\n0.395905 0.395905 0.000000 Bi\n",
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{
"id": "jvasp-870",
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"structure_string": "Dy3\n1.0\n3.462940 0.004947 7.978263\n1.660786 3.038712 7.978263\n0.008327 0.004947 8.697389\nDy\n3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.222149 0.222149 0.222148 Dy\n0.777853 0.777853 0.777849 Dy\n",
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{
"id": "jvasp-69058",
"created_at": "2022-09-04T14:36:14.824495Z",
"updated_at": "2022-09-04T14:36:14.824520Z",
"structure_string": "Ba1 Co2 Br1\n1.0\n4.388351 -0.000000 0.000000\n0.000000 4.384908 0.000000\n0.000000 0.000000 6.317477\nBa Co Br\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.835239 Co\n0.000000 0.000000 0.164762 Co\n0.500000 0.500000 0.500000 Br\n",
"nsites": 4,
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"formula_full": "Ba1 Co2 Br1",
"formula_reduced": "BaCo2Br",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-110453",
"created_at": "2022-09-04T14:38:38.745249Z",
"updated_at": "2022-09-04T14:38:38.745276Z",
"structure_string": "Nd6 Cd2\n1.0\n7.107115 0.000000 -0.000000\n-3.553558 6.154941 0.000000\n-0.000000 0.000000 5.557595\nNd Cd\n6 2\ndirect\n0.174606 0.349213 0.250000 Nd\n0.650787 0.825394 0.250000 Nd\n0.174606 0.825394 0.250000 Nd\n0.825394 0.650787 0.749999 Nd\n0.349213 0.174606 0.749999 Nd\n0.825395 0.174606 0.749999 Nd\n0.333333 0.666667 0.749999 Cd\n0.666667 0.333333 0.250000 Cd\n",
"nsites": 8,
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"elements": [
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"density": 7.4469874299289325,
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"volume": 243.11073267321535,
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"formula_full": "Nd6 Cd2",
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"spacegroup": 194
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{
"id": "jvasp-35103",
"created_at": "2022-09-04T14:37:39.893740Z",
"updated_at": "2022-09-04T14:37:39.893769Z",
"structure_string": "Th2 Sb2 Te2\n1.0\n4.455184 0.000000 0.000000\n-0.000000 4.455184 0.000000\n-0.000000 -0.000000 9.185594\nTh Sb Te\n2 2 2\ndirect\n0.500000 0.000000 0.735125 Th\n0.000000 0.500000 0.264875 Th\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.370315 Te\n0.000000 0.500000 0.629685 Te\n",
"nsites": 6,
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],
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"density": 8.768895461588304,
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"volume": 182.32177329906483,
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"formula_full": "Th2 Sb2 Te2",
"formula_reduced": "ThSbTe",
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"spacegroup": 129
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{
"id": "jvasp-108879",
"created_at": "2022-09-04T14:38:49.132913Z",
"updated_at": "2022-09-04T14:38:49.132932Z",
"structure_string": "K2 Br6\n1.0\n6.428216 0.000000 0.000000\n-3.214108 5.566998 0.000000\n-0.000000 -0.000000 6.793013\nK Br\n2 6\ndirect\n0.666667 0.333333 0.250000 K\n0.333333 0.666667 0.750000 K\n0.832012 0.167989 0.750000 Br\n0.335977 0.167989 0.750000 Br\n0.832012 0.664023 0.750000 Br\n0.167989 0.832011 0.250000 Br\n0.664024 0.832011 0.250000 Br\n0.167989 0.335977 0.250000 Br\n",
"nsites": 8,
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"elements": [
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"formula_full": "K2 Br6",
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"spacegroup": 194
},
{
"id": "jvasp-4110",
"created_at": "2022-09-04T14:36:46.163029Z",
"updated_at": "2022-09-04T14:36:46.163055Z",
"structure_string": "Tl2 Pd1 Cl4\n1.0\n7.096092 0.000000 0.000000\n0.000000 7.096092 0.000000\n0.000000 0.000000 4.223999\nTl Pd Cl\n2 1 4\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Pd\n0.767670 0.767670 0.000000 Cl\n0.767670 0.232330 0.000000 Cl\n0.232330 0.767670 0.000000 Cl\n0.232330 0.232330 0.000000 Cl\n",
"nsites": 7,
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"elements": [
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],
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"density": 5.129219208581707,
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"volume": 212.69744918996625,
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"formula_full": "Tl2 Pd1 Cl4",
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-80789",
"created_at": "2022-09-04T14:37:17.577795Z",
"updated_at": "2022-09-04T14:37:17.577813Z",
"structure_string": "Hg1 Bi1 Pb2\n1.0\n-12.232174 -4.249740 -3.592350\n-8.292517 -3.730098 0.658188\n-5.325449 1.440164 -1.850276\nHg Bi Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 -0.000000 -0.000000 Bi\n0.750838 0.015673 -0.015674 Pb\n0.249163 -0.015674 0.015674 Pb\n",
"nsites": 4,
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"formula_full": "Hg1 Bi1 Pb2",
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},
{
"id": "jvasp-103695",
"created_at": "2022-09-04T14:36:51.209837Z",
"updated_at": "2022-09-04T14:36:51.209869Z",
"structure_string": "Mn1 Zn1 Te2\n1.0\n4.232320 0.006005 6.368944\n1.927657 3.767852 6.368944\n0.009802 0.006005 7.646953\nMn Zn Te\n1 1 2\ndirect\n0.000500 0.000500 0.000500 Mn\n0.499935 0.499936 0.499934 Zn\n0.125889 0.125889 0.125889 Te\n0.623675 0.623677 0.623674 Te\n",
"nsites": 4,
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"volume": 121.53258189220757,
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},
{
"id": "jvasp-78864",
"created_at": "2022-09-04T14:36:40.036011Z",
"updated_at": "2022-09-04T14:36:40.036035Z",
"structure_string": "Hf2 Mg2\n1.0\n5.005836 -0.000000 -0.000000\n-2.502918 4.335181 0.000000\n0.000000 0.000000 5.600128\nHf Mg\n2 2\ndirect\n0.333333 0.666667 0.062504 Hf\n0.666667 0.333333 0.562504 Hf\n0.333333 0.666667 0.562497 Mg\n0.666667 0.333333 0.062497 Mg\n",
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{
"id": "jvasp-3639",
"created_at": "2022-09-04T14:36:04.409162Z",
"updated_at": "2022-09-04T14:36:04.409189Z",
"structure_string": "Pr2 Br6\n1.0\n3.966994 -6.871035 0.000000\n3.966994 6.871035 0.000000\n0.000000 0.000000 4.458346\nPr Br\n2 6\ndirect\n0.333333 0.666666 0.750001 Pr\n0.666666 0.333333 0.250000 Pr\n0.914471 0.616768 0.750001 Br\n0.297703 0.914471 0.250000 Br\n0.085529 0.383231 0.250000 Br\n0.702296 0.085528 0.750001 Br\n0.383231 0.297703 0.750001 Br\n0.616768 0.702296 0.250000 Br\n",
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"formula_full": "Pr2 Br6",
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]
}