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{
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"updated_at": "2022-09-04T14:37:35.990056Z",
"structure_string": "Ba4 P14 Cl2\n1.0\n0.000000 6.388988 0.003754\n6.843810 0.000000 0.000000\n0.000000 -1.084783 -11.765948\nBa P Cl\n4 14 2\ndirect\n0.230796 0.250000 0.046427 Ba\n0.432614 0.250000 0.652508 Ba\n0.769205 0.750000 0.953573 Ba\n0.567387 0.750000 0.347493 Ba\n0.988936 0.750000 0.549350 P\n0.116688 0.502500 0.806779 P\n0.327426 0.750000 0.592361 P\n0.852881 0.574416 0.686778 P\n0.883313 0.497500 0.193222 P\n0.675837 0.250000 0.220997 P\n0.883313 0.002500 0.193222 P\n0.147120 0.074416 0.313222 P\n0.147120 0.425584 0.313222 P\n0.672575 0.250000 0.407639 P\n0.324164 0.750000 0.779004 P\n0.116688 0.997500 0.806779 P\n0.011064 0.250000 0.450650 P\n0.852881 0.925584 0.686778 P\n0.363509 0.750000 0.088768 Cl\n0.636491 0.250000 0.911233 Cl\n",
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{
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"updated_at": "2022-09-04T14:36:07.038190Z",
"structure_string": "Ba4 P1 Br1\n1.0\n0.000000 4.876253 4.876253\n4.876253 0.000000 4.876253\n4.876253 4.876253 0.000000\nBa P Br\n4 1 1\ndirect\n0.121961 0.626013 0.626013 Ba\n0.626013 0.626013 0.626013 Ba\n0.626013 0.121961 0.626013 Ba\n0.626013 0.626013 0.121961 Ba\n0.000000 0.000000 0.000000 P\n0.250000 0.250000 0.250000 Br\n",
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"formula_full": "Ba4 P1 Br1",
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{
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"created_at": "2022-09-04T14:36:07.671001Z",
"updated_at": "2022-09-04T14:36:07.671025Z",
"structure_string": "Ba4 P1 Cl1\n1.0\n-0.000000 4.851225 4.851225\n4.851225 -0.000000 4.851225\n4.851225 4.851225 0.000000\nBa P Cl\n4 1 1\ndirect\n0.122023 0.625993 0.625993 Ba\n0.625993 0.625993 0.625993 Ba\n0.625993 0.122023 0.625993 Ba\n0.625993 0.625993 0.122023 Ba\n0.000000 0.000000 0.000000 P\n0.250000 0.250000 0.250000 Cl\n",
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"volume": 228.34118404686407,
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"formula_full": "Ba4 P1 Cl1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66645",
"created_at": "2022-09-04T14:35:47.895694Z",
"updated_at": "2022-09-04T14:35:47.895740Z",
"structure_string": "Ba4 P1 Ir1\n1.0\n0.000000 4.683652 4.683652\n4.683652 -0.000000 4.683652\n4.683652 4.683652 0.000000\nBa P Ir\n4 1 1\ndirect\n0.125345 0.624885 0.624885 Ba\n0.624885 0.624885 0.624885 Ba\n0.624885 0.125345 0.624885 Ba\n0.624885 0.624885 0.125345 Ba\n0.000000 0.000000 0.000000 P\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
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"elements": [
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"density": 6.242564476077328,
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"volume": 205.48676399209458,
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"formula_full": "Ba4 P1 Ir1",
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"spacegroup": 216
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{
"id": "jvasp-63973",
"created_at": "2022-09-04T14:36:00.658765Z",
"updated_at": "2022-09-04T14:36:00.658794Z",
"structure_string": "Ba4 P1 Pb1\n1.0\n-0.000000 4.891763 4.891763\n4.891763 0.000000 4.891763\n4.891763 4.891763 -0.000000\nBa P Pb\n4 1 1\ndirect\n0.127399 0.624200 0.624200 Ba\n0.624200 0.624200 0.624200 Ba\n0.624200 0.127399 0.624200 Ba\n0.624200 0.624200 0.127399 Ba\n0.250000 0.250000 0.250000 P\n0.000000 0.000000 0.000000 Pb\n",
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{
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"created_at": "2022-09-04T14:36:18.489015Z",
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"structure_string": "Ba4 P1 Pd1\n1.0\n0.000000 4.778250 4.778250\n4.778250 -0.000000 4.778250\n4.778250 4.778250 0.000000\nBa P Pd\n4 1 1\ndirect\n0.126303 0.624565 0.624565 Ba\n0.624565 0.624565 0.624565 Ba\n0.624565 0.126303 0.624565 Ba\n0.624565 0.624565 0.126303 Ba\n0.250000 0.250000 0.250000 P\n0.000000 0.000000 0.000000 Pd\n",
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"elements": [
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{
"id": "jvasp-66530",
"created_at": "2022-09-04T14:35:51.354493Z",
"updated_at": "2022-09-04T14:35:51.354511Z",
"structure_string": "Ba4 P1 Pt1\n1.0\n-0.000000 4.730722 4.730722\n4.730722 -0.000000 4.730722\n4.730722 4.730722 -0.000000\nBa P Pt\n4 1 1\ndirect\n0.125147 0.624951 0.624951 Ba\n0.624951 0.624951 0.624951 Ba\n0.624951 0.125147 0.624951 Ba\n0.624951 0.624951 0.125147 Ba\n0.250000 0.250000 0.250000 P\n0.000000 0.000000 0.000000 Pt\n",
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"volume": 211.74456819759268,
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"formula_full": "Ba4 P1 Pt1",
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{
"id": "jvasp-66487",
"created_at": "2022-09-04T14:35:46.975753Z",
"updated_at": "2022-09-04T14:35:46.975785Z",
"structure_string": "Ba4 P1 Rh1\n1.0\n-0.000000 4.721524 4.721524\n4.721524 0.000000 4.721524\n4.721524 4.721524 -0.000000\nBa P Rh\n4 1 1\ndirect\n0.125497 0.624834 0.624834 Ba\n0.624834 0.624834 0.624834 Ba\n0.624834 0.125497 0.624834 Ba\n0.624834 0.624834 0.125497 Ba\n0.250000 0.250000 0.250000 P\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "jvasp-66595",
"created_at": "2022-09-04T14:36:15.336683Z",
"updated_at": "2022-09-04T14:36:15.336703Z",
"structure_string": "Ba4 P1 Ru1\n1.0\n-0.000000 4.739347 4.739347\n4.739347 -0.000000 4.739347\n4.739347 4.739347 0.000000\nBa P Ru\n4 1 1\ndirect\n0.125677 0.624775 0.624775 Ba\n0.624775 0.624775 0.624775 Ba\n0.624775 0.125677 0.624775 Ba\n0.624775 0.624775 0.125677 Ba\n0.250000 0.250000 0.250000 P\n0.000000 0.000000 0.000000 Ru\n",
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{
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"structure_string": "Ba4 P1 Se1\n1.0\n0.000000 4.781187 4.781187\n4.781187 -0.000000 4.781187\n4.781187 4.781187 0.000000\nBa P Se\n4 1 1\ndirect\n0.125637 0.624788 0.624788 Ba\n0.624788 0.624788 0.624788 Ba\n0.624788 0.125637 0.624788 Ba\n0.624788 0.624788 0.125637 Ba\n0.250000 0.250000 0.250000 P\n0.000000 0.000000 0.000000 Se\n",
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{
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"created_at": "2022-09-04T14:36:21.124655Z",
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{
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"created_at": "2022-09-04T14:38:33.850769Z",
"updated_at": "2022-09-04T14:38:33.850792Z",
"structure_string": "Ba4 P4 Ir4\n1.0\n6.549196 0.000000 -0.000000\n-0.000000 6.549196 -0.000000\n0.000000 0.000000 6.549196\nBa P Ir\n4 4 4\ndirect\n0.626162 0.373838 0.873839 Ba\n0.373838 0.873839 0.626162 Ba\n0.126162 0.126162 0.126162 Ba\n0.873839 0.626162 0.373838 Ba\n0.155452 0.344549 0.655452 P\n0.655452 0.155452 0.344549 P\n0.344549 0.655452 0.155452 P\n0.844549 0.844549 0.844549 P\n0.595688 0.904313 0.095688 Ir\n0.095688 0.595688 0.904313 Ir\n0.404313 0.404313 0.404313 Ir\n0.904313 0.095688 0.595688 Ir\n",
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