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{
"id": "jvasp-100231",
"created_at": "2022-09-04T14:36:33.876840Z",
"updated_at": "2022-09-04T14:36:33.876861Z",
"structure_string": "Sr2 Ca6\n1.0\n7.893851 0.000000 0.000000\n-3.946926 6.836276 0.000000\n0.000000 0.000000 6.481824\nSr Ca\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.164572 0.329142 0.250000 Ca\n0.670858 0.835429 0.250000 Ca\n0.164571 0.835429 0.250000 Ca\n0.835428 0.670858 0.750000 Ca\n0.329142 0.164572 0.750000 Ca\n0.835428 0.164572 0.750000 Ca\n",
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{
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"created_at": "2022-09-04T14:35:51.675194Z",
"updated_at": "2022-09-04T14:35:51.675214Z",
"structure_string": "Ba1 Pb1 Cl1\n1.0\n-0.000000 4.033176 4.033176\n4.033176 -0.000000 4.033176\n4.033176 4.033176 0.000000\nBa Pb Cl\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:38:54.556023Z",
"updated_at": "2022-09-04T14:38:54.556050Z",
"structure_string": "Ca1 Br1\n1.0\n5.052180 -0.000000 -0.000000\n-2.526090 4.375316 -0.000000\n0.000000 -0.000000 3.958547\nCa Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.000000 Br\n",
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"elements": [
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"volume": 87.50322219952895,
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"formula_full": "Ca1 Br1",
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{
"id": "jvasp-66387",
"created_at": "2022-09-04T14:36:06.583593Z",
"updated_at": "2022-09-04T14:36:06.583609Z",
"structure_string": "Ba1 Y1 Cl1\n1.0\n0.000000 4.033728 4.033728\n4.033728 -0.000000 4.033728\n4.033728 4.033728 -0.000000\nBa Y Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
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"density_atomic": 0.022854484491752182,
"volume": 131.2652666080765,
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"formula_full": "Ba1 Y1 Cl1",
"formula_reduced": "BaYCl",
"formula_anonymous": "ABC",
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},
{
"id": "jvasp-90776",
"created_at": "2022-09-04T14:36:17.437548Z",
"updated_at": "2022-09-04T14:36:17.437566Z",
"structure_string": "Sr6 Mg2\n1.0\n5.548123 0.000000 -0.000000\n0.000000 5.548123 0.000000\n0.000000 0.000000 11.372119\nSr Mg\n6 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.250000 Sr\n0.000000 0.500000 0.250000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.750000 Sr\n0.500000 0.000000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Mg-Sr",
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"volume": 350.05280087521294,
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"formula_full": "Sr6 Mg2",
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"spacegroup": 139
},
{
"id": "jvasp-99753",
"created_at": "2022-09-04T14:36:13.549256Z",
"updated_at": "2022-09-04T14:36:13.549286Z",
"structure_string": "Ba1 Yb3\n1.0\n5.594016 0.000000 -0.000000\n0.000000 5.594016 0.000000\n0.000000 0.000000 5.594016\nYb Ba\n3 1\ndirect\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 4,
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"elements": [
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"density": 6.226982608401108,
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"volume": 175.05362664442418,
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"spacegroup": 221
},
{
"id": "jvasp-64796",
"created_at": "2022-09-04T14:38:17.008561Z",
"updated_at": "2022-09-04T14:38:17.008586Z",
"structure_string": "Ba4 Sc1 Bi1\n1.0\n-0.000000 5.082739 5.082739\n5.082739 -0.000000 5.082739\n5.082739 5.082739 0.000000\nBa Sc Bi\n4 1 1\ndirect\n0.127334 0.624222 0.624222 Ba\n0.624222 0.624222 0.624222 Ba\n0.624222 0.127334 0.624222 Ba\n0.624222 0.624222 0.127334 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
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"volume": 262.6173550833447,
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"formula_full": "Ba4 Sc1 Bi1",
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{
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"created_at": "2022-09-04T14:36:19.806698Z",
"updated_at": "2022-09-04T14:36:19.806723Z",
"structure_string": "Ba1 Sb1 Br1\n1.0\n-0.000000 4.034188 4.034188\n4.034188 -0.000000 4.034188\n4.034188 4.034188 0.000000\nBa Sb Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Br\n",
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"volume": 131.31017958344748,
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"formula_full": "Ba1 Sb1 Br1",
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{
"id": "jvasp-64577",
"created_at": "2022-09-04T14:36:18.036785Z",
"updated_at": "2022-09-04T14:36:18.036813Z",
"structure_string": "Ba4 Sr1 Rh1\n1.0\n-0.000000 5.083075 5.083075\n5.083075 -0.000000 5.083075\n5.083075 5.083075 -0.000000\nBa Sr Rh\n4 1 1\ndirect\n0.132658 0.622448 0.622448 Ba\n0.622448 0.622448 0.622448 Ba\n0.622448 0.132658 0.622448 Ba\n0.622448 0.622448 0.132658 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
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"elements": [
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"density": 4.677066460083849,
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"formula_full": "Ba4 Sr1 Rh1",
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{
"id": "jvasp-64263",
"created_at": "2022-09-04T14:35:53.328485Z",
"updated_at": "2022-09-04T14:35:53.328512Z",
"structure_string": "Ba4 Sr1 Pt1\n1.0\n0.000000 5.083226 5.083226\n5.083226 0.000000 5.083226\n5.083226 5.083226 0.000000\nBa Sr Pt\n4 1 1\ndirect\n0.132770 0.622411 0.622411 Ba\n0.622411 0.622411 0.622411 Ba\n0.622411 0.132770 0.622411 Ba\n0.622411 0.622411 0.132770 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Pt\n",
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{
"id": "jvasp-110704",
"created_at": "2022-09-04T14:38:37.418580Z",
"updated_at": "2022-09-04T14:38:37.418608Z",
"structure_string": "Rb2 Ag1 Bi1 I6\n1.0\n7.381539 -0.000000 4.261733\n2.460513 6.959381 4.261733\n-0.000000 -0.000000 8.523467\nRb Ag Bi I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.745277 0.254723 0.254722 I\n0.254723 0.254723 0.745277 I\n0.254723 0.745277 0.745277 I\n0.254723 0.745277 0.254723 I\n0.745277 0.254723 0.745277 I\n0.745277 0.745277 0.254722 I\n",
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"volume": 437.8585311747396,
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{
"id": "jvasp-64005",
"created_at": "2022-09-04T14:35:46.735689Z",
"updated_at": "2022-09-04T14:35:46.735730Z",
"structure_string": "Ba1 Na1 Sc1\n1.0\n-0.000000 4.034702 4.034702\n4.034702 -0.000000 4.034702\n4.034702 4.034702 -0.000000\nBa Na Sc\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sc\n",
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}