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{
"id": "jvasp-56266",
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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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"created_at": "2022-09-04T14:36:07.038160Z",
"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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"formula_anonymous": "ABC4",
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"spacegroup": 216
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{
"id": "jvasp-63890",
"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",
"nsites": 6,
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"elements": [
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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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"Ir"
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"chemical_system": "Ba-Ir-P",
"density": 6.242564476077328,
"density_atomic": 0.029198960961937335,
"volume": 205.48676399209458,
"volume_molar": 20.624503617954886,
"formula_full": "Ba4 P1 Ir1",
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"formula_anonymous": "ABC4",
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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",
"nsites": 6,
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"formula_full": "Ba4 P1 Pb1",
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{
"id": "jvasp-66511",
"created_at": "2022-09-04T14:36:18.489015Z",
"updated_at": "2022-09-04T14:36:18.489053Z",
"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",
"nsites": 6,
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"elements": [
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"Pd"
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"density": 5.226135409399952,
"density_atomic": 0.027498857424311934,
"volume": 218.19088362178124,
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"formula_full": "Ba4 P1 Pd1",
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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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"elements": [
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"density": 6.080558050035095,
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"volume": 211.74456819759268,
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"formula_full": "Ba4 P1 Pt1",
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"spacegroup": 216
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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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"elements": [
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"formula_full": "Ba4 P1 Rh1",
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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",
"nsites": 6,
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{
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"created_at": "2022-09-04T14:35:57.723613Z",
"updated_at": "2022-09-04T14:35:57.723645Z",
"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",
"updated_at": "2022-09-04T14:36:21.124678Z",
"structure_string": "Ba4 P1 W1\n1.0\n-0.000000 4.812098 4.812098\n4.812098 -0.000000 4.812098\n4.812098 4.812098 0.000000\nBa P W\n4 1 1\ndirect\n0.126263 0.624579 0.624579 Ba\n0.624579 0.624579 0.624579 Ba\n0.624579 0.126263 0.624579 Ba\n0.624579 0.624579 0.126263 Ba\n0.250000 0.250000 0.250000 P\n0.000000 0.000000 0.000000 W\n",
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},
{
"id": "jvasp-22383",
"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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}