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{
"id": "jvasp-115364",
"created_at": "2022-09-04T14:38:46.555580Z",
"updated_at": "2022-09-04T14:38:46.555606Z",
"structure_string": "Sr1 P1 S1\n1.0\n3.631041 0.000000 -0.000000\n0.000000 3.631041 -0.000000\n-0.000000 -0.000000 7.552014\nSr P S\n1 1 1\ndirect\n0.000000 0.000000 0.001178 Sr\n0.000000 0.000000 0.376672 P\n0.000000 0.000000 0.635503 S\n",
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{
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"structure_string": "Sr1 P1 Pt1\n1.0\n4.146994 -0.000000 0.000000\n-2.073497 3.591402 0.000000\n0.000000 0.000000 4.479694\nSr P Pt\n1 1 1\ndirect\n0.666666 0.333333 -0.000000 Sr\n0.333332 0.666666 0.500000 P\n0.000000 0.000000 0.500000 Pt\n",
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{
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"created_at": "2022-09-04T14:38:41.373755Z",
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"structure_string": "Sr1 P1 F2\n1.0\n3.448187 0.000000 -0.000000\n-0.000000 3.448187 0.000000\n-0.000000 0.000000 6.318151\nSr P F\n1 1 2\ndirect\n0.500001 0.500001 0.582570 Sr\n0.000000 0.000000 0.981822 P\n0.000000 0.000000 0.477139 F\n0.500001 0.500001 0.968469 F\n",
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"density": 3.461330558330337,
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"volume": 75.12277487150178,
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"formula_full": "Sr1 P1 F2",
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{
"id": "jvasp-114934",
"created_at": "2022-09-04T14:38:43.776440Z",
"updated_at": "2022-09-04T14:38:43.776468Z",
"structure_string": "Sr1 P1 F1\n1.0\n3.536426 -0.000000 -0.000000\n-0.000000 3.536426 -0.000000\n0.000000 0.000000 6.959581\nSr P F\n1 1 1\ndirect\n0.000000 0.000000 -0.007283 Sr\n0.000000 0.000000 0.587420 P\n0.000000 0.000000 0.338063 F\n",
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"density": 2.6250075621115148,
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"volume": 87.03866947678335,
"volume_molar": 17.471970638410166,
"formula_full": "Sr1 P1 F1",
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},
{
"id": "jvasp-118124",
"created_at": "2022-09-04T14:38:49.661538Z",
"updated_at": "2022-09-04T14:38:49.661562Z",
"structure_string": "Sr1 P1 Cl2\n1.0\n4.439099 0.000000 0.000000\n0.000000 4.439099 0.000000\n0.000000 0.000000 5.685997\nSr P Cl\n1 1 2\ndirect\n0.500000 0.500000 0.676886 Sr\n0.000000 0.000000 0.770543 P\n0.000000 0.000000 0.395000 Cl\n0.500000 0.500000 0.167571 Cl\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cl-P-Sr",
"density": 2.8084162593569943,
"density_atomic": 0.03569962907365582,
"volume": 112.04598209542068,
"volume_molar": 16.868916894276577,
"formula_full": "Sr1 P1 Cl2",
"formula_reduced": "SrPCl2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-118122",
"created_at": "2022-09-04T14:38:31.414436Z",
"updated_at": "2022-09-04T14:38:31.414456Z",
"structure_string": "Sr1 P1 Cl1\n1.0\n5.309529 0.000000 0.000000\n-2.654764 4.598187 -0.000000\n0.000000 0.000000 3.570061\nSr P Cl\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.333334 0.666667 0.000000 P\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Cl-P-Sr",
"density": 2.93483309820594,
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"volume": 87.16020905604579,
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"formula_full": "Sr1 P1 Cl1",
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},
{
"id": "jvasp-118123",
"created_at": "2022-09-04T14:38:50.667307Z",
"updated_at": "2022-09-04T14:38:50.667331Z",
"structure_string": "Sr1 P1 Cl1\n1.0\n3.608765 -0.000000 0.000000\n0.000000 3.608765 0.000000\n0.000000 -0.000000 7.824057\nSr P Cl\n1 1 1\ndirect\n0.000000 0.000000 -0.014089 Sr\n0.000000 0.000000 0.626385 P\n0.000000 0.000000 0.356089 Cl\n",
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"density": 2.510455119351058,
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"volume": 101.89414039409543,
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"formula_full": "Sr1 P1 Cl1",
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{
"id": "jvasp-40300",
"created_at": "2022-09-04T14:37:54.177894Z",
"updated_at": "2022-09-04T14:37:54.177915Z",
"structure_string": "Sr1 Os1 O3\n1.0\n3.984858 -0.000000 -0.000000\n0.000000 3.984858 -0.000000\n0.000000 0.000000 3.984858\nSr Os O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"elements": [
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"density": 8.551176564576608,
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"volume": 63.27593189020776,
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"formula_full": "Sr1 Os1 O3",
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"spacegroup": 221
},
{
"id": "jvasp-1417",
"created_at": "2022-09-04T14:36:14.889807Z",
"updated_at": "2022-09-04T14:36:14.889833Z",
"structure_string": "Sr1 O2\n1.0\n3.207983 -0.000000 -1.529126\n-0.728878 3.124082 -1.529126\n0.030164 0.038012 4.192889\nSr O\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.387461 0.387462 0.774925 O\n0.612536 0.612536 0.225072 O\n",
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"volume": 42.3940692041255,
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"formula_full": "Sr1 O2",
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"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "jvasp-118314",
"created_at": "2022-09-04T14:38:51.164477Z",
"updated_at": "2022-09-04T14:38:51.164504Z",
"structure_string": "Sr1 O1 F2\n1.0\n3.612797 -0.000000 -0.000000\n0.000000 3.612797 -0.000000\n-0.000000 0.000000 4.717046\nSr O F\n1 1 2\ndirect\n0.500001 0.500001 0.502597 Sr\n0.000000 0.000000 0.002395 O\n0.000000 0.000000 0.502402 F\n0.500001 0.500001 0.002607 F\n",
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"formula_full": "Sr1 O1 F2",
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"spacegroup": 123
},
{
"id": "jvasp-118315",
"created_at": "2022-09-04T14:38:48.362398Z",
"updated_at": "2022-09-04T14:38:48.362414Z",
"structure_string": "Sr1 O1 F1\n1.0\n4.270570 0.161576 0.000000\n-2.110475 3.710966 0.000000\n0.000000 0.000000 4.666610\nSr O F\n1 1 1\ndirect\n0.662596 0.670461 0.000000 Sr\n0.015841 0.318796 0.000000 O\n0.321563 0.010745 0.000000 F\n",
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"spacegroup": 38
},
{
"id": "jvasp-1390",
"created_at": "2022-09-04T14:35:42.788549Z",
"updated_at": "2022-09-04T14:35:42.788584Z",
"structure_string": "Sr1 O1\n1.0\n3.168679 0.000000 1.829438\n1.056226 2.987459 1.829438\n0.000000 0.000000 3.658876\nSr O\n1 1\ndirect\n0.500001 0.500000 0.500001 Sr\n0.000000 0.000000 0.000000 O\n",
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