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{
"id": "jvasp-49170",
"created_at": "2022-09-04T14:37:11.038118Z",
"updated_at": "2022-09-04T14:37:11.038139Z",
"structure_string": "Tl4 Pt4 O14\n1.0\n6.305801 -0.000000 3.640656\n2.101934 5.945166 3.640656\n0.000000 -0.000000 7.281312\nTl Pt O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.000000 0.000000 Tl\n-0.000000 0.500000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.499999 0.500000 0.500001 Pt\n0.499999 0.500000 0.000001 Pt\n-0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.833798 0.416201 0.416202 O\n0.416201 0.416201 0.833799 O\n0.833798 0.833800 0.416202 O\n0.166200 0.583799 0.583799 O\n0.874999 0.875001 0.875001 O\n0.833798 0.416201 0.833800 O\n0.416200 0.833800 0.416202 O\n0.166200 0.583799 0.166201 O\n0.166201 0.166201 0.583799 O\n0.583798 0.583799 0.166202 O\n0.583799 0.166201 0.583799 O\n0.416200 0.833800 0.833800 O\n0.125000 0.125000 0.125000 O\n0.583799 0.166201 0.166201 O\n",
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{
"id": "jvasp-49916",
"created_at": "2022-09-04T14:36:30.655804Z",
"updated_at": "2022-09-04T14:36:30.655832Z",
"structure_string": "Tb4 Pt4 O14\n1.0\n-5.139106 5.139106 -0.000000\n5.139106 -0.000000 5.139106\n5.139106 5.139106 0.000000\nTb Pt O\n4 4 14\ndirect\n0.500000 0.000000 0.000000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.340243 0.250000 0.909758 O\n0.659758 0.750001 0.659758 O\n0.375000 0.750001 0.375000 O\n0.090243 0.180486 0.659758 O\n0.090243 0.750001 0.090243 O\n0.909758 0.819515 0.340243 O\n0.659758 0.750001 0.090243 O\n0.909758 0.250000 0.909758 O\n0.340243 0.250000 0.340243 O\n0.340243 0.680486 0.909758 O\n0.659758 0.319514 0.090243 O\n0.909758 0.250000 0.340243 O\n0.625000 0.250000 0.625000 O\n0.090243 0.750001 0.659758 O\n",
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"elements": [
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"density": 10.032470758339487,
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"volume": 271.4517979126092,
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"formula_full": "Tb4 Pt4 O14",
"formula_reduced": "Tb2Pt2O7",
"formula_anonymous": "A2B2C7",
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{
"id": "jvasp-27488",
"created_at": "2022-09-04T14:38:11.431136Z",
"updated_at": "2022-09-04T14:38:11.431164Z",
"structure_string": "Sr6 Zn2 Pt2 O12\n1.0\n6.732853 0.026546 -0.189587\n-0.195747 6.730060 -0.189587\n0.025685 0.026546 6.735473\nSr Zn Pt O\n6 2 2 12\ndirect\n0.885634 0.250001 0.614365 Sr\n0.385634 0.114366 0.749999 Sr\n0.749999 0.385635 0.114365 Sr\n0.114365 0.750000 0.385634 Sr\n0.614365 0.885635 0.249999 Sr\n0.249999 0.614366 0.885634 Sr\n0.749999 0.750001 0.749999 Zn\n0.250000 0.250000 0.250000 Zn\n0.499999 0.500001 0.499999 Pt\n0.000000 0.000000 0.000000 Pt\n0.960074 0.093038 0.287388 O\n0.593036 0.460076 0.787388 O\n0.212611 0.406963 0.539924 O\n0.539924 0.212612 0.406962 O\n0.406962 0.539925 0.212611 O\n0.906962 0.712612 0.039924 O\n0.039924 0.906963 0.712610 O\n0.712610 0.039926 0.906962 O\n0.787388 0.593038 0.460074 O\n0.460074 0.787389 0.593036 O\n0.287388 0.960075 0.093037 O\n0.093036 0.287389 0.960074 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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],
"chemical_system": "O-Pt-Sr-Zn",
"density": 6.737252084085985,
"density_atomic": 0.07205940369037127,
"volume": 305.3036643840516,
"volume_molar": 8.357189279384352,
"formula_full": "Sr6 Zn2 Pt2 O12",
"formula_reduced": "Sr3ZnPtO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 167
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{
"id": "jvasp-21233",
"created_at": "2022-09-04T14:37:07.567134Z",
"updated_at": "2022-09-04T14:37:07.567169Z",
"structure_string": "Sr8 Pt2 O12\n1.0\n6.921696 0.008807 -0.014179\n-0.014227 6.921688 -0.014179\n0.008778 0.008807 6.921706\nSr Pt O\n8 2 12\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750001 0.750000 Sr\n0.617677 0.882324 0.250000 Sr\n0.250000 0.617678 0.882323 Sr\n0.882323 0.250001 0.617677 Sr\n0.382323 0.117678 0.750000 Sr\n0.750000 0.382323 0.117677 Sr\n0.117677 0.750000 0.382323 Sr\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500001 0.500000 Pt\n0.072908 0.286851 0.941863 O\n0.786851 0.572909 0.441862 O\n0.558138 0.213149 0.427092 O\n0.427092 0.558138 0.213149 O\n0.213149 0.427092 0.558138 O\n0.713150 0.058138 0.927092 O\n0.927092 0.713150 0.058138 O\n0.058137 0.927092 0.713149 O\n0.441862 0.786852 0.572908 O\n0.572908 0.441863 0.786851 O\n0.941863 0.072909 0.286851 O\n0.286851 0.941863 0.072908 O\n",
"nsites": 22,
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"elements": [
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"chemical_system": "O-Pt-Sr",
"density": 6.425035869831031,
"density_atomic": 0.06634093602176362,
"volume": 331.6202833312865,
"volume_molar": 9.077563750418586,
"formula_full": "Sr8 Pt2 O12",
"formula_reduced": "Sr4PtO6",
"formula_anonymous": "AB4C6",
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"spacegroup": 167
},
{
"id": "jvasp-50453",
"created_at": "2022-09-04T14:37:28.082135Z",
"updated_at": "2022-09-04T14:37:28.082162Z",
"structure_string": "Sr2 Pt6 O8\n1.0\n5.920563 -0.000000 0.000000\n0.000000 5.920563 0.000000\n-0.000000 -0.000000 5.920563\nSr Pt O\n2 6 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.500000 0.000000 Pt\n0.250000 0.500000 0.000000 Pt\n0.500000 0.000000 0.750000 Pt\n0.000000 0.750000 0.500000 Pt\n0.000000 0.250000 0.500000 Pt\n0.500000 0.000000 0.250000 Pt\n0.750000 0.750000 0.750000 O\n0.750000 0.250000 0.750000 O\n0.250000 0.750000 0.750000 O\n0.250000 0.250000 0.750000 O\n0.750000 0.750000 0.250000 O\n0.250000 0.750000 0.250000 O\n0.750000 0.250000 0.250000 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 16,
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"elements": [
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"chemical_system": "O-Pt-Sr",
"density": 11.791816512307115,
"density_atomic": 0.07709584314809126,
"volume": 207.53388699914785,
"volume_molar": 7.811239249867515,
"formula_full": "Sr2 Pt6 O8",
"formula_reduced": "SrPt3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.31338931375,
"spacegroup": 223
},
{
"id": "jvasp-113712",
"created_at": "2022-09-04T14:38:43.378136Z",
"updated_at": "2022-09-04T14:38:43.378161Z",
"structure_string": "Sr1 Pt1 O1\n1.0\n3.213360 0.000000 0.000000\n0.000000 3.213360 0.000000\n0.000000 -0.000000 6.819831\nSr Pt O\n1 1 1\ndirect\n0.000000 0.000000 0.694521 Sr\n0.000000 0.000000 0.283067 Pt\n0.000000 0.000000 0.001670 O\n",
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"elements": [
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"density_atomic": 0.0426018908657559,
"volume": 70.41940953873127,
"volume_molar": 14.135853215944213,
"formula_full": "Sr1 Pt1 O1",
"formula_reduced": "SrPtO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3807104033333335,
"spacegroup": 99
},
{
"id": "jvasp-113710",
"created_at": "2022-09-04T14:38:48.501908Z",
"updated_at": "2022-09-04T14:38:48.501934Z",
"structure_string": "Sr1 Pt1 O1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nSr Pt O\n1 1 1\ndirect\n-0.036521 0.338048 0.000000 Sr\n0.377092 -0.040772 0.000000 Pt\n-0.122354 -0.054482 0.000000 O\n",
"nsites": 3,
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"density": 2.4824492821640454,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
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"formula_full": "Sr1 Pt1 O1",
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"spacegroup": 6
},
{
"id": "jvasp-113711",
"created_at": "2022-09-04T14:38:46.453337Z",
"updated_at": "2022-09-04T14:38:46.453361Z",
"structure_string": "Sr1 Pt1 O2\n1.0\n2.008475 1.159594 5.760598\n-2.008475 1.159594 5.760598\n-0.000000 -2.319187 5.760598\nSr Pt O\n1 1 2\ndirect\n0.499999 0.499999 0.500003 Sr\n0.000000 0.000000 0.000000 Pt\n0.107727 0.107727 0.107728 O\n0.892270 0.892270 0.892278 O\n",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-106606",
"created_at": "2022-09-04T14:36:48.325069Z",
"updated_at": "2022-09-04T14:36:48.325084Z",
"structure_string": "Sr1 Pt1 O3\n1.0\n4.036490 -0.000000 0.000000\n0.000000 4.036490 0.000000\n-0.000000 -0.000000 4.036490\nSr Pt O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
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"spacegroup": 221
},
{
"id": "jvasp-113006",
"created_at": "2022-09-04T14:38:44.750798Z",
"updated_at": "2022-09-04T14:38:44.750831Z",
"structure_string": "Sm4 Zn2 Pt2 O12\n1.0\n5.842721 0.000000 0.000000\n-0.000000 4.457508 3.090971\n0.000000 0.008080 9.443554\nSm Zn Pt O\n4 2 2 12\ndirect\n0.424622 0.228667 0.749385 Sm\n0.575378 0.771333 0.250615 Sm\n0.924622 0.771333 0.750614 Sm\n0.075378 0.228667 0.249385 Sm\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.000000 0.000000 0.000000 Pt\n0.500000 -0.000000 0.500000 Pt\n0.808575 0.254399 0.054817 O\n0.191424 0.745601 0.945183 O\n0.800510 0.875755 0.442688 O\n0.199490 0.124245 0.557311 O\n0.300510 0.124245 0.057311 O\n0.960049 0.636629 0.248577 O\n0.460049 0.363371 0.251422 O\n0.539951 0.636629 0.748577 O\n0.691424 0.254399 0.554816 O\n0.039951 0.363371 0.751422 O\n0.699490 0.875755 0.942688 O\n0.308575 0.745601 0.445183 O\n",
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"elements": [
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"volume": 245.80176772249925,
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"formula_full": "Sm4 Zn2 Pt2 O12",
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"spacegroup": 14
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{
"id": "jvasp-50387",
"created_at": "2022-09-04T14:37:02.424329Z",
"updated_at": "2022-09-04T14:37:02.424339Z",
"structure_string": "Sm4 Pt4 O14\n1.0\n-5.197390 5.197390 0.000000\n5.197390 -0.000000 5.197390\n5.197390 5.197390 -0.000000\nSm Pt O\n4 4 14\ndirect\n0.125000 0.250000 0.125000 Sm\n0.625000 0.750000 0.125000 Sm\n0.125000 0.750000 0.125000 Sm\n0.125000 0.250000 0.625000 Sm\n0.625000 0.250000 0.125000 Pt\n0.625000 0.250000 0.625000 Pt\n0.625000 0.750000 0.625000 Pt\n0.125000 0.750000 0.625000 Pt\n0.962294 0.924589 0.537706 O\n0.537706 0.075411 0.962294 O\n0.537706 0.500000 0.537706 O\n0.962294 0.500000 0.962294 O\n0.250000 0.500000 0.250000 O\n0.287706 0.000000 0.712294 O\n0.000000 0.000000 0.000000 O\n0.712294 0.424589 0.287706 O\n0.287706 0.000000 0.287706 O\n0.537706 0.500000 0.962294 O\n0.712294 0.000000 0.712294 O\n0.712294 0.000000 0.287706 O\n0.962294 0.500000 0.537706 O\n0.287706 0.575411 0.712294 O\n",
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"density": 9.496112982883217,
"density_atomic": 0.0783495967699232,
"volume": 280.7927661019609,
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"formula_full": "Sm4 Pt4 O14",
"formula_reduced": "Sm2Pt2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.5728013681818176,
"spacegroup": 227
},
{
"id": "jvasp-55538",
"created_at": "2022-09-04T14:36:35.527037Z",
"updated_at": "2022-09-04T14:36:35.527061Z",
"structure_string": "Sb4 Pt4 O14\n1.0\n6.356101 0.000000 3.669696\n2.118700 5.992588 3.669696\n0.000000 0.000000 7.339393\nSb Pt O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Pt\n0.500000 -0.000000 0.000000 Pt\n-0.000000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.334814 0.915186 0.334814 O\n0.915186 0.334814 0.915186 O\n0.915186 0.334814 0.334814 O\n0.625000 0.625000 0.625000 O\n0.665186 0.084814 0.084814 O\n0.084814 0.665186 0.084814 O\n0.084814 0.084814 0.665186 O\n0.665186 0.665186 0.084815 O\n0.665186 0.084814 0.665186 O\n0.334814 0.915186 0.915186 O\n0.084814 0.665186 0.665186 O\n0.375000 0.375000 0.375000 O\n0.915186 0.915186 0.334815 O\n0.334814 0.334814 0.915186 O\n",
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"elements": [
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"density": 8.85866845380186,
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"volume": 279.5537698894982,
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"formula_full": "Sb4 Pt4 O14",
"formula_reduced": "Sb2Pt2O7",
"formula_anonymous": "A2B2C7",
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"spacegroup": 227
}
]
}