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{
"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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{
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"created_at": "2022-09-04T14:38:26.248039Z",
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"structure_string": "Sr2 O12\n1.0\n5.738252 0.202563 0.041221\n-0.766101 5.690488 0.041221\n-0.188377 -0.223266 5.889506\nSr O\n2 12\ndirect\n0.214595 0.785404 0.750000 Sr\n0.785404 0.214595 0.250000 Sr\n0.880631 0.790433 0.448344 O\n0.209566 0.119369 0.051656 O\n0.119368 0.209566 0.551656 O\n0.790433 0.880631 0.948345 O\n0.701446 0.634812 0.421106 O\n0.365188 0.298553 0.078894 O\n0.298553 0.365188 0.578894 O\n0.634811 0.701446 0.921107 O\n0.929481 0.442039 0.920194 O\n0.557960 0.070517 0.579807 O\n0.070518 0.557960 0.079807 O\n0.442040 0.929482 0.420193 O\n",
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{
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"updated_at": "2022-09-04T14:36:39.319126Z",
"structure_string": "Sr2 O2\n1.0\n1.779210 -3.081683 0.000000\n1.779210 3.081683 0.000000\n0.000000 -0.000000 6.227184\nSr O\n2 2\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 4,
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"volume": 68.28681664442067,
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"formula_full": "Sr2 O2",
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"spacegroup": 194
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{
"id": "jvasp-36407",
"created_at": "2022-09-04T14:37:17.980993Z",
"updated_at": "2022-09-04T14:37:17.981023Z",
"structure_string": "Sr1 O1\n1.0\n3.118125 -0.000000 -0.000000\n0.000000 3.118125 -0.000000\n-0.000000 -0.000000 3.118125\nSr O\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500001 0.500001 0.500001 O\n",
"nsites": 2,
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"elements": [
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"density": 5.67557159936441,
"density_atomic": 0.06597044776681273,
"volume": 30.316604899658202,
"volume_molar": 9.128543103552367,
"formula_full": "Sr1 O1",
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"formula_anonymous": "AB",
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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",
"nsites": 3,
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"elements": [
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"volume": 42.3940692041255,
"volume_molar": 8.51010173788083,
"formula_full": "Sr1 O2",
"formula_reduced": "SrO2",
"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "jvasp-122031",
"created_at": "2022-09-04T14:38:54.800256Z",
"updated_at": "2022-09-04T14:38:54.800285Z",
"structure_string": "Sr4 O8\n1.0\n4.409237 0.000000 0.000000\n0.000000 4.922340 0.000000\n-0.000000 -0.000000 8.503524\nSr O\n4 8\ndirect\n0.751249 0.750000 0.125014 Sr\n0.748752 0.750000 0.625013 Sr\n0.248751 0.250000 0.874986 Sr\n0.251249 0.250000 0.374986 Sr\n0.424051 0.750000 0.374282 O\n0.075949 0.750000 0.874282 O\n0.575949 0.250000 0.625717 O\n-0.075949 0.250000 0.125717 O\n0.077847 0.750000 0.375734 O\n0.422154 0.750000 0.875734 O\n0.922154 0.250000 0.624265 O\n0.577847 0.250000 0.124266 O\n",
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"elements": [
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"density": 4.3050136898470885,
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"volume": 184.55847512704875,
"volume_molar": 9.261975963883721,
"formula_full": "Sr4 O8",
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"spacegroup": 71
},
{
"id": "jvasp-49935",
"created_at": "2022-09-04T14:38:04.078478Z",
"updated_at": "2022-09-04T14:38:04.078507Z",
"structure_string": "Sr2 O2\n1.0\n2.139837 -3.706306 0.000000\n2.139837 3.706306 -0.000000\n0.000000 0.000000 5.170441\nSr O\n2 2\ndirect\n0.666668 0.333333 0.062461 Sr\n0.333333 0.666668 0.562461 Sr\n0.666668 0.333333 0.562538 O\n0.333333 0.666668 0.062539 O\n",
"nsites": 4,
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"elements": [
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"volume": 82.01240500894959,
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"formula_full": "Sr2 O2",
"formula_reduced": "SrO",
"formula_anonymous": "AB",
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"spacegroup": 194
},
{
"id": "jvasp-18012",
"created_at": "2022-09-04T14:38:15.045753Z",
"updated_at": "2022-09-04T14:38:15.045772Z",
"structure_string": "Pu1 Si2 Os2\n1.0\n3.890481 0.000000 -1.511129\n-0.586948 3.845950 -1.511129\n-0.012178 -0.014177 5.732338\nPu Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.626823 0.626823 0.253646 Si\n0.373176 0.373176 0.746354 Si\n0.749999 0.250000 0.500000 Os\n0.249999 0.750000 0.500000 Os\n",
"nsites": 5,
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"elements": [
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"density": 13.202828403095117,
"density_atomic": 0.05840851437933442,
"volume": 85.6039577984722,
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"formula_full": "Pu1 Si2 Os2",
"formula_reduced": "Pu(SiOs)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-18769",
"created_at": "2022-09-04T14:37:02.173666Z",
"updated_at": "2022-09-04T14:37:02.173684Z",
"structure_string": "Pu2 Os4\n1.0\n4.580893 0.000000 2.644780\n1.526965 4.318908 2.644780\n0.000000 0.000000 5.289560\nPu Os\n2 4\ndirect\n0.874998 0.875000 0.875000 Pu\n0.125000 0.125000 0.125000 Pu\n0.499999 0.500000 0.500000 Os\n0.499999 0.500000 0.000000 Os\n-0.000001 0.500000 0.500000 Os\n0.500000 -0.000000 0.500000 Os\n",
"nsites": 6,
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"elements": [
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"density": 19.817098565993458,
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"volume": 104.65106403703783,
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"formula_full": "Pu2 Os4",
"formula_reduced": "PuOs2",
"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-41872",
"created_at": "2022-09-04T14:37:32.186087Z",
"updated_at": "2022-09-04T14:37:32.186098Z",
"structure_string": "Sc2 Os1 Pt1\n1.0\n-0.000000 3.242664 3.242664\n3.242664 0.000000 3.242664\n3.242664 3.242664 0.000000\nSc Os Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.499999 0.499999 Sc\n0.250000 0.250000 0.250000 Os\n0.749999 0.749999 0.749999 Pt\n",
"nsites": 4,
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"elements": [
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"formula_full": "Sc2 Os1 Pt1",
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"spacegroup": 225
},
{
"id": "jvasp-90133",
"created_at": "2022-09-04T14:36:10.201824Z",
"updated_at": "2022-09-04T14:36:10.201849Z",
"structure_string": "Ti3 P3 Os3\n1.0\n0.000000 0.000000 -3.724804\n-3.145351 -5.447905 0.000000\n-3.145335 5.447897 0.000000\nTi P Os\n3 3 3\ndirect\n0.500000 0.583859 -0.000000 Ti\n0.500000 0.416107 0.416105 Ti\n0.500000 0.000002 0.583894 Ti\n0.000000 0.333325 0.666664 P\n0.000000 0.666661 0.333335 P\n0.500000 0.999976 -0.000001 P\n0.000000 0.253196 -0.000000 Os\n0.000000 0.746780 0.746788 Os\n0.000000 -0.000009 0.253211 Os\n",
"nsites": 9,
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],
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"density": 10.500409132102387,
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"volume": 127.65288657606014,
"volume_molar": 8.541596126459428,
"formula_full": "Ti3 P3 Os3",
"formula_reduced": "TiPOs",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-100811",
"created_at": "2022-09-04T14:37:09.640223Z",
"updated_at": "2022-09-04T14:37:09.640246Z",
"structure_string": "Os1 Pt4\n1.0\n2.779519 0.002610 11.185873\n1.371150 2.417784 11.185873\n0.004476 0.002610 11.526035\nOs Pt\n1 4\ndirect\n0.000000 0.000000 0.000000 Os\n0.602619 0.602616 0.602616 Pt\n0.200923 0.200922 0.200922 Pt\n0.799080 0.799076 0.799076 Pt\n0.397384 0.397382 0.397382 Pt\n",
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}
]
}