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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=931",
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"results": [
{
"id": "jvasp-101653",
"created_at": "2022-09-04T14:36:37.262922Z",
"updated_at": "2022-09-04T14:36:37.262949Z",
"structure_string": "Sr2 La1 Nb1 O6\n1.0\n5.300371 -0.000000 3.060171\n1.766790 4.997238 3.060171\n-0.000000 -0.000000 6.120342\nSr La Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Nb\n0.768326 0.231674 0.231674 O\n0.231674 0.768326 0.768326 O\n0.231674 0.768326 0.231674 O\n0.768326 0.231674 0.768326 O\n0.231674 0.231674 0.768326 O\n0.768326 0.768326 0.231674 O\n",
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{
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"created_at": "2022-09-04T14:36:58.690379Z",
"updated_at": "2022-09-04T14:36:58.690401Z",
"structure_string": "Sr2 Ir4\n1.0\n4.746315 0.000000 2.740286\n1.582105 4.474868 2.740286\n0.000000 0.000000 5.480572\nSr Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Sr\n0.874998 0.875000 0.875002 Sr\n-0.000001 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.499999 0.500000 0.000001 Ir\n0.499999 0.500000 0.500001 Ir\n",
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{
"id": "jvasp-15942",
"created_at": "2022-09-04T14:37:56.025472Z",
"updated_at": "2022-09-04T14:37:56.025508Z",
"structure_string": "Sr2 Ir1 O4\n1.0\n3.789856 0.000000 -1.092614\n-0.315000 3.776743 -1.092614\n-0.050001 -0.054345 6.945647\nSr Ir O\n2 1 4\ndirect\n0.645967 0.645966 0.291935 Sr\n0.354034 0.354034 0.708067 Sr\n0.000000 0.000000 0.000000 Ir\n0.500001 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.836571 0.836570 0.673142 O\n0.163430 0.163431 0.326860 O\n",
"nsites": 7,
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"elements": [
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"density": 7.239389402924352,
"density_atomic": 0.07073197367961821,
"volume": 98.96514455692456,
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"formula_full": "Sr2 Ir1 O4",
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"spacegroup": 139
},
{
"id": "jvasp-78502",
"created_at": "2022-09-04T14:37:10.141969Z",
"updated_at": "2022-09-04T14:37:10.141988Z",
"structure_string": "Sr2 Ir1\n1.0\n-3.609578 -3.609578 -0.000000\n-3.609578 0.000000 -3.609578\n0.000000 -3.609578 -3.609578\nSr Ir\n2 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Ir-Sr",
"density": 6.487185756392199,
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"volume": 94.05876857994913,
"volume_molar": 18.881171470023965,
"formula_full": "Sr2 Ir1",
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"energy_above_hull": 0.95030124,
"spacegroup": 225
},
{
"id": "jvasp-23532",
"created_at": "2022-09-04T14:37:33.835011Z",
"updated_at": "2022-09-04T14:37:33.835030Z",
"structure_string": "Sr2 In8 Pt2\n1.0\n4.454408 0.000000 -1.189304\n0.000000 7.604429 0.000000\n-0.001960 -0.000000 8.929061\nSr In Pt\n2 8 2\ndirect\n0.873252 0.250000 0.746504 Sr\n0.126748 0.750000 0.253496 Sr\n0.683577 0.048544 0.367154 In\n0.500000 0.500000 0.000000 In\n0.316423 0.548544 0.632847 In\n0.316423 0.951456 0.632847 In\n0.683577 0.451456 0.367154 In\n0.933742 0.750000 0.867484 In\n0.066258 0.250000 0.132517 In\n0.500000 0.000000 0.000000 In\n0.224239 0.250000 0.448479 Pt\n0.775761 0.750000 0.551521 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
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],
"chemical_system": "In-Pt-Sr",
"density": 8.14764337816217,
"density_atomic": 0.039677500595057584,
"volume": 302.43840514225275,
"volume_molar": 15.177722058304616,
"formula_full": "Sr2 In8 Pt2",
"formula_reduced": "SrIn4Pt",
"formula_anonymous": "ABC4",
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"spacegroup": 63
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{
"id": "jvasp-97349",
"created_at": "2022-09-04T14:36:05.768394Z",
"updated_at": "2022-09-04T14:36:05.768414Z",
"structure_string": "Sr2 In8 Pd2\n1.0\n4.461332 -0.000000 -1.187234\n-0.000000 7.591601 0.000000\n-0.005479 0.000000 8.955318\nSr In Pd\n2 8 2\ndirect\n0.875154 0.250000 0.750310 Sr\n0.124845 0.750000 0.249691 Sr\n0.684098 0.049651 0.368198 In\n0.315901 0.950349 0.631803 In\n0.315901 0.549651 0.631803 In\n0.684098 0.450349 0.368198 In\n0.067911 0.250000 0.135822 In\n0.932088 0.750000 0.864179 In\n0.500000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.224670 0.250000 0.449340 Pd\n0.775330 0.750000 0.550661 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"chemical_system": "In-Pd-Sr",
"density": 7.154701406125686,
"density_atomic": 0.03957063606210995,
"volume": 303.2551708586346,
"volume_molar": 15.218711042571229,
"formula_full": "Sr2 In8 Pd2",
"formula_reduced": "SrIn4Pd",
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"spacegroup": 63
},
{
"id": "jvasp-91280",
"created_at": "2022-09-04T14:35:52.937346Z",
"updated_at": "2022-09-04T14:35:52.937375Z",
"structure_string": "Sr2 In8 Pd2\n1.0\n4.466976 0.000000 -1.188737\n0.000000 7.580403 0.000000\n-0.006028 -0.000000 8.964607\nSr In Pd\n2 8 2\ndirect\n0.875295 0.250000 0.750588 Sr\n0.124706 0.750000 0.249412 Sr\n0.684135 0.049429 0.368269 In\n0.315866 0.950570 0.631731 In\n0.315866 0.549429 0.631731 In\n0.684135 0.450571 0.368269 In\n0.067891 0.250000 0.135781 In\n0.932110 0.750000 0.864219 In\n0.500001 0.000000 -0.000000 In\n0.500001 0.500000 -0.000000 In\n0.224385 0.250000 0.448769 Pd\n0.775616 0.750000 0.551231 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
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],
"chemical_system": "In-Pd-Sr",
"density": 7.148917415536407,
"density_atomic": 0.03953864644107572,
"volume": 303.5005261974142,
"volume_molar": 15.231024079124133,
"formula_full": "Sr2 In8 Pd2",
"formula_reduced": "SrIn4Pd",
"formula_anonymous": "ABC4",
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"spacegroup": 63
},
{
"id": "jvasp-91289",
"created_at": "2022-09-04T14:35:56.382322Z",
"updated_at": "2022-09-04T14:35:56.382347Z",
"structure_string": "Sr2 In8 Ni2\n1.0\n4.381544 -0.000000 -1.149986\n-0.000000 7.390137 0.000000\n0.001840 0.000000 8.929037\nSr In Ni\n2 8 2\ndirect\n0.120888 0.750000 0.241774 Sr\n0.879111 0.250000 0.758225 Sr\n0.689575 0.048600 0.379151 In\n0.310424 0.951400 0.620849 In\n0.310424 0.548600 0.620849 In\n0.689575 0.451400 0.379151 In\n0.075485 0.250000 0.150970 In\n0.924514 0.750000 0.849030 In\n0.500000 0.000000 -0.000000 In\n0.500000 0.500000 -0.000000 In\n0.774752 0.750000 0.549505 Ni\n0.225247 0.250000 0.450495 Ni\n",
"nsites": 12,
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"elements": [
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"In",
"Ni"
],
"chemical_system": "In-Ni-Sr",
"density": 6.955794001275922,
"density_atomic": 0.04150242451788607,
"volume": 289.1397343504215,
"volume_molar": 14.510334829727046,
"formula_full": "Sr2 In8 Ni2",
"formula_reduced": "SrIn4Ni",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-23701",
"created_at": "2022-09-04T14:37:37.131239Z",
"updated_at": "2022-09-04T14:37:37.131260Z",
"structure_string": "Sr2 In8 Ir2\n1.0\n4.361970 0.000000 0.000000\n0.000000 7.767184 -0.000000\n0.000000 0.000000 8.738051\nSr In Ir\n2 8 2\ndirect\n0.000000 0.394921 0.250000 Sr\n0.000000 0.605079 0.750000 Sr\n0.000000 0.000000 0.000000 In\n0.500000 0.310965 0.565492 In\n0.500000 0.062493 0.250000 In\n0.000000 0.000000 0.500000 In\n0.500000 0.937507 0.750000 In\n0.500000 0.310965 0.934507 In\n0.500000 0.689035 0.065492 In\n0.500000 0.689035 0.434508 In\n0.000000 0.807899 0.250000 Ir\n0.000000 0.192101 0.750000 Ir\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "In-Ir-Sr",
"density": 8.291378495196248,
"density_atomic": 0.04053408772705853,
"volume": 296.04712164249355,
"volume_molar": 14.856978651032822,
"formula_full": "Sr2 In8 Ir2",
"formula_reduced": "SrIn4Ir",
"formula_anonymous": "ABC4",
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"spacegroup": 51
},
{
"id": "jvasp-56739",
"created_at": "2022-09-04T14:38:30.539553Z",
"updated_at": "2022-09-04T14:38:30.539581Z",
"structure_string": "Sr2 In8\n1.0\n5.216751 0.013259 -0.001557\n2.591761 6.085490 0.031555\n2.605372 1.855730 9.153613\nSr In\n2 8\ndirect\n0.835953 0.619674 0.708348 Sr\n0.164046 0.380326 0.291652 Sr\n0.155823 0.039197 0.649163 In\n0.565878 0.768180 0.101030 In\n0.844176 0.960803 0.350837 In\n0.422873 0.731308 0.422822 In\n0.434121 0.231820 0.898970 In\n0.847072 0.252400 0.052709 In\n0.577126 0.268693 0.577178 In\n0.152928 0.747600 0.947291 In\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.03448355547626657,
"volume": 289.9932985994596,
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"formula_full": "Sr2 In8",
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"spacegroup": 12
},
{
"id": "jvasp-85333",
"created_at": "2022-09-04T14:36:19.034672Z",
"updated_at": "2022-09-04T14:36:19.034696Z",
"structure_string": "Sr2 In6 Au6\n1.0\n4.588133 0.000000 0.000000\n0.000000 7.925154 0.000000\n0.000000 0.000000 9.303139\nSr In Au\n2 6 6\ndirect\n0.750000 0.250000 0.723002 Sr\n0.250000 0.750000 0.276999 Sr\n0.250000 0.550266 0.884922 In\n0.750000 0.449734 0.115078 In\n0.250000 0.949734 0.884922 In\n0.250000 0.250000 0.367761 In\n0.750000 0.050266 0.115078 In\n0.750000 0.750000 0.632239 In\n0.250000 0.985795 0.592350 Au\n0.750000 0.014204 0.407650 Au\n0.750000 0.750000 0.951365 Au\n0.250000 0.250000 0.048635 Au\n0.750000 0.485795 0.407650 Au\n0.250000 0.514204 0.592350 Au\n",
"nsites": 14,
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],
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"volume": 338.27758280919807,
"volume_molar": 14.551108711639621,
"formula_full": "Sr2 In6 Au6",
"formula_reduced": "Sr(InAu)3",
"formula_anonymous": "AB3C3",
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"spacegroup": 59
},
{
"id": "jvasp-90885",
"created_at": "2022-09-04T14:35:44.707909Z",
"updated_at": "2022-09-04T14:35:44.707936Z",
"structure_string": "Sr2 In6\n1.0\n0.000000 -0.000000 -5.187879\n-3.592327 -6.215324 0.000000\n-3.592327 6.215324 -0.000000\nSr In\n2 6\ndirect\n0.750000 0.666480 0.333520 Sr\n0.250000 0.333520 0.666480 Sr\n0.750000 0.152965 0.306346 In\n0.750000 0.153344 0.846657 In\n0.750000 0.693655 0.847036 In\n0.250000 0.847036 0.693655 In\n0.250000 0.846657 0.153344 In\n0.250000 0.306346 0.152965 In\n",
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"spacegroup": 194
}
]
}