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{
"id": "jvasp-12764",
"created_at": "2022-09-04T14:38:11.194538Z",
"updated_at": "2022-09-04T14:38:11.194552Z",
"structure_string": "Ba4 Br8\n1.0\n4.959687 -0.000000 0.000000\n0.000000 8.274817 0.000000\n0.000000 0.000000 9.990619\nBa Br\n4 8\ndirect\n0.250000 0.748109 0.619302 Ba\n0.750000 0.251892 0.380698 Ba\n0.250000 0.248108 0.880698 Ba\n0.750000 0.751892 0.119302 Ba\n0.250000 0.529210 0.329412 Br\n0.750000 0.470790 0.670588 Br\n0.250000 0.029210 0.170588 Br\n0.750000 0.970791 0.829412 Br\n0.750000 0.856260 0.430457 Br\n0.250000 0.143740 0.569543 Br\n0.750000 0.356260 0.069543 Br\n0.250000 0.643740 0.930457 Br\n",
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{
"id": "jvasp-120848",
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"updated_at": "2022-09-04T14:38:53.327326Z",
"structure_string": "Ba3 Br1\n1.0\n7.931503 0.737326 -1.666788\n3.013599 -5.744073 -1.450276\n-2.037903 -0.082759 -3.899791\nBa Br\n3 1\ndirect\n0.207964 -0.016523 0.793857 Ba\n0.476643 0.349252 0.427178 Ba\n0.842336 0.665747 0.110775 Ba\n0.842290 0.165701 0.110493 Br\n",
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{
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"created_at": "2022-09-04T14:38:49.052174Z",
"updated_at": "2022-09-04T14:38:49.052193Z",
"structure_string": "Ba1 Ca1 Br2\n1.0\n4.212349 0.000000 -0.000000\n0.000000 4.212349 0.000000\n-0.000000 0.000000 7.942599\nBa Ca Br\n1 1 2\ndirect\n0.500001 0.500001 0.809150 Ba\n0.000000 0.000000 0.392423 Ca\n0.000000 0.000000 0.007015 Br\n0.500001 0.500001 0.291412 Br\n",
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"formula_full": "Ba1 Ca1 Br2",
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{
"id": "jvasp-119933",
"created_at": "2022-09-04T14:38:53.225935Z",
"updated_at": "2022-09-04T14:38:53.225969Z",
"structure_string": "Ba1 Ca1 Br1\n1.0\n6.074302 0.000000 0.000000\n-3.037151 5.260500 -0.000000\n-0.000000 0.000000 3.729134\nBa Ca Br\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.000000 Ca\n0.333333 0.666666 0.000000 Br\n",
"nsites": 3,
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"density": 3.585689504553057,
"density_atomic": 0.025176181469208737,
"volume": 119.16024690515893,
"volume_molar": 23.91999266197405,
"formula_full": "Ba1 Ca1 Br1",
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"spacegroup": 187
},
{
"id": "jvasp-68960",
"created_at": "2022-09-04T14:36:18.665418Z",
"updated_at": "2022-09-04T14:36:18.665434Z",
"structure_string": "Ba1 Ca1 Br2\n1.0\n4.202621 0.000000 0.000000\n0.000000 4.202621 0.000000\n0.000000 0.000000 7.942024\nBa Ca Br\n1 1 2\ndirect\n0.500000 0.500000 0.810577 Ba\n0.000000 0.000000 0.389702 Ca\n0.000000 0.000000 0.006735 Br\n0.500000 0.500000 0.292985 Br\n",
"nsites": 4,
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"formula_full": "Ba1 Ca1 Br2",
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{
"id": "jvasp-69288",
"created_at": "2022-09-04T14:35:59.733628Z",
"updated_at": "2022-09-04T14:35:59.733655Z",
"structure_string": "Ba1 Ca1 Br2\n1.0\n4.202532 0.000000 0.000000\n0.000000 4.202532 0.000000\n-0.000000 0.000000 7.942601\nBa Ca Br\n1 1 2\ndirect\n0.500000 0.500000 0.810464 Ba\n0.000000 0.000000 0.389647 Ca\n0.000000 0.000000 0.006764 Br\n0.500000 0.500000 0.293124 Br\n",
"nsites": 4,
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"elements": [
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"density": 3.991798422013364,
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{
"id": "jvasp-64334",
"created_at": "2022-09-04T14:35:57.619527Z",
"updated_at": "2022-09-04T14:35:57.619549Z",
"structure_string": "Ba1 Ca1 Br1\n1.0\n0.000000 4.185483 4.185483\n4.185483 -0.000000 4.185483\n4.185483 4.185483 -0.000000\nBa Ca Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Br\n",
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{
"id": "jvasp-119930",
"created_at": "2022-09-04T14:38:53.930154Z",
"updated_at": "2022-09-04T14:38:53.930181Z",
"structure_string": "Ba1 Ca1 Br1\n1.0\n3.962649 0.000000 -0.000000\n0.000000 3.962649 0.000000\n-0.000000 0.000000 9.689887\nBa Ca Br\n1 1 1\ndirect\n0.000000 0.000000 0.422571 Ba\n0.000000 0.000000 0.021687 Ca\n0.000000 0.000000 0.740900 Br\n",
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"density": 2.8081102255315127,
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"formula_full": "Ba1 Ca1 Br1",
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{
"id": "jvasp-119931",
"created_at": "2022-09-04T14:38:54.262029Z",
"updated_at": "2022-09-04T14:38:54.262056Z",
"structure_string": "Ba1 Ca1 Br1\n1.0\n5.995360 2.649922 0.000000\n3.360879 7.691847 0.000000\n0.000000 0.000000 3.947361\nBa Ca Br\n1 1 1\ndirect\n-0.047523 -0.042083 0.000000 Ba\n-0.047667 0.458052 0.000000 Ca\n0.452287 -0.041932 0.000000 Br\n",
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"spacegroup": 10
},
{
"id": "jvasp-69163",
"created_at": "2022-09-04T14:35:47.122262Z",
"updated_at": "2022-09-04T14:35:47.122297Z",
"structure_string": "Ba1 Ca1 Br2\n1.0\n4.202282 0.000000 0.000000\n0.000000 4.202128 0.000000\n0.000000 0.000000 7.943162\nBa Ca Br\n1 1 2\ndirect\n0.500000 0.500000 0.810460 Ba\n0.000000 0.000000 0.389650 Ca\n0.000000 0.000000 0.006793 Br\n0.500000 0.500000 0.293095 Br\n",
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{
"id": "jvasp-119935",
"created_at": "2022-09-04T14:38:49.081044Z",
"updated_at": "2022-09-04T14:38:49.081064Z",
"structure_string": "Ba1 Cd1 Br1\n1.0\n0.000000 3.973727 3.973727\n3.973727 -0.000000 3.973727\n3.973727 3.973727 0.000000\nBa Cd Br\n1 1 1\ndirect\n0.250001 0.250001 0.250001 Ba\n0.500001 0.500001 0.500001 Cd\n0.000000 0.000000 0.000000 Br\n",
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{
"id": "jvasp-117525",
"created_at": "2022-09-04T14:38:45.927892Z",
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"structure_string": "Ba1 Cd1 Br1\n1.0\n4.153340 0.000000 0.000000\n0.000000 4.153340 0.000000\n0.000000 0.000000 9.362842\nBa Cd Br\n1 1 1\ndirect\n0.000000 0.000000 0.380497 Ba\n0.000000 0.000000 0.001330 Cd\n0.000000 0.000000 0.697348 Br\n",
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}