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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3651",
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"results": [
{
"id": "jvasp-5266",
"created_at": "2022-09-04T14:36:08.769338Z",
"updated_at": "2022-09-04T14:36:08.769358Z",
"structure_string": "Sr4 In2 I10\n1.0\n8.062741 -0.000000 -4.207665\n-2.195834 7.757970 -4.207665\n0.022533 0.029796 9.871935\nSr In I\n4 2 10\ndirect\n0.845332 0.345332 0.000001 Sr\n0.654669 0.845332 0.000001 Sr\n0.154669 0.654668 0.000001 Sr\n0.345332 0.154668 0.000000 Sr\n0.750000 0.750000 0.500001 In\n0.250000 0.250000 0.500001 In\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.000001 I\n0.509986 0.009987 0.718374 I\n0.708387 0.509987 0.718374 I\n0.009986 0.208387 0.718374 I\n0.291613 0.490014 0.281627 I\n0.990014 0.791613 0.281628 I\n0.791613 0.291613 0.281628 I\n0.490014 0.990014 0.281628 I\n0.208387 0.708387 0.718374 I\n",
"nsites": 16,
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"elements": [
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"formula_full": "Sr4 In2 I10",
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{
"id": "jvasp-105898",
"created_at": "2022-09-04T14:35:52.197695Z",
"updated_at": "2022-09-04T14:35:52.197716Z",
"structure_string": "Sr2 In1 Os1 O6\n1.0\n5.002092 0.000000 2.887959\n1.667364 4.716018 2.887959\n-0.000000 0.000000 5.775918\nSr In Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750000 0.750001 Sr\n0.499999 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Os\n0.759065 0.240935 0.240935 O\n0.240934 0.759066 0.759066 O\n0.240934 0.759066 0.240935 O\n0.759065 0.240935 0.759066 O\n0.240934 0.240935 0.759066 O\n0.759064 0.759066 0.240935 O\n",
"nsites": 10,
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"density": 7.023244903496956,
"density_atomic": 0.07339252878514067,
"volume": 136.25365095778847,
"volume_molar": 8.20538665131711,
"formula_full": "Sr2 In1 Os1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-23492",
"created_at": "2022-09-04T14:37:35.017374Z",
"updated_at": "2022-09-04T14:37:35.017393Z",
"structure_string": "Sr4 In2 Pd4\n1.0\n6.021780 -0.000000 -0.000000\n-3.010890 5.123703 -1.267241\n-0.000000 -0.030061 8.365263\nSr In Pd\n4 2 4\ndirect\n0.209140 0.704144 0.352595 Sr\n0.504995 0.295855 0.147404 Sr\n0.790860 0.295855 0.647404 Sr\n0.495005 0.704144 0.852595 Sr\n0.858555 0.000000 0.250000 In\n0.141445 0.000000 0.750000 In\n0.998250 0.271228 0.002485 Pd\n0.727021 0.728772 0.497515 Pd\n0.001749 0.728772 0.997515 Pd\n0.272978 0.271228 0.502484 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"In",
"Pd"
],
"chemical_system": "In-Pd-Sr",
"density": 6.476744093981013,
"density_atomic": 0.03877910094485485,
"volume": 257.87085714597475,
"volume_molar": 15.529345996349118,
"formula_full": "Sr4 In2 Pd4",
"formula_reduced": "Sr2InPd2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.2906657035000001,
"spacegroup": 15
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{
"id": "jvasp-87922",
"created_at": "2022-09-04T14:36:13.614956Z",
"updated_at": "2022-09-04T14:36:13.614983Z",
"structure_string": "Sr4 In2 Pt4\n1.0\n5.898054 0.045677 1.213688\n2.822536 5.179036 1.213688\n0.050517 0.030267 8.360393\nSr In Pt\n4 2 4\ndirect\n0.496993 0.208014 0.647162 Sr\n0.791986 0.503008 0.852838 Sr\n0.503006 0.791988 0.352838 Sr\n0.208013 0.496994 0.147162 Sr\n0.141628 0.858373 0.750000 In\n0.858371 0.141629 0.250000 In\n0.723211 0.000251 0.001705 Pt\n0.999749 0.276789 0.498296 Pt\n0.276789 0.999751 0.998295 Pt\n0.000251 0.723213 0.501704 Pt\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"In",
"Pt"
],
"chemical_system": "In-Pt-Sr",
"density": 8.898481518954801,
"density_atomic": 0.03938978242225618,
"volume": 253.87294331308004,
"volume_molar": 15.288585997868688,
"formula_full": "Sr4 In2 Pt4",
"formula_reduced": "Sr2InPt2",
"formula_anonymous": "AB2C2",
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"spacegroup": 15
},
{
"id": "jvasp-101633",
"created_at": "2022-09-04T14:36:46.264284Z",
"updated_at": "2022-09-04T14:36:46.264294Z",
"structure_string": "Sr2 In1 Re1 O6\n1.0\n5.005759 -0.000000 2.890076\n1.668586 4.719475 2.890076\n-0.000000 -0.000000 5.780153\nSr In Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750001 0.750000 Sr\n0.500000 0.500001 0.500000 In\n0.000000 0.000000 0.000000 Re\n0.759133 0.240868 0.240868 O\n0.240868 0.759133 0.759132 O\n0.240868 0.759133 0.240868 O\n0.759133 0.240868 0.759132 O\n0.240868 0.240868 0.759132 O\n0.759133 0.759133 0.240868 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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],
"chemical_system": "In-O-Re-Sr",
"density": 6.958899899411274,
"density_atomic": 0.07323134977037916,
"volume": 136.55353931554637,
"volume_molar": 8.223446350344144,
"formula_full": "Sr2 In1 Re1 O6",
"formula_reduced": "Sr2InReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.139365159,
"spacegroup": 225
},
{
"id": "jvasp-91306",
"created_at": "2022-09-04T14:36:08.658588Z",
"updated_at": "2022-09-04T14:36:08.658614Z",
"structure_string": "Sr4 In2 Sb2 O12\n1.0\n5.778075 0.000000 -0.005173\n0.000000 5.815479 0.000000\n0.018947 0.000000 8.176388\nSr In Sb O\n4 2 2 12\ndirect\n0.007414 0.034980 0.749870 Sr\n0.492587 0.534980 0.750130 Sr\n0.992586 0.965020 0.250130 Sr\n0.507413 0.465020 0.249870 Sr\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.222264 0.796966 0.539053 O\n0.200419 0.777883 0.958573 O\n0.423694 0.019954 0.260082 O\n0.076306 0.519954 0.239918 O\n0.576305 0.980046 0.739919 O\n0.722263 0.703034 0.039053 O\n0.299581 0.277883 0.541428 O\n0.923694 0.480046 0.760082 O\n0.799581 0.222117 0.041428 O\n0.700418 0.722117 0.458573 O\n0.277736 0.296966 0.960948 O\n0.777736 0.203034 0.460948 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Sb",
"O"
],
"chemical_system": "In-O-Sb-Sr",
"density": 6.138369755163918,
"density_atomic": 0.07279456178339676,
"volume": 274.7457984500385,
"volume_molar": 8.272789357423607,
"formula_full": "Sr4 In2 Sb2 O12",
"formula_reduced": "Sr2InSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.494190969,
"spacegroup": 14
},
{
"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,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ir-Sr",
"density": 6.487185756392199,
"density_atomic": 0.03189495296709127,
"volume": 94.05876857994913,
"volume_molar": 18.881171470023965,
"formula_full": "Sr2 Ir1",
"formula_reduced": "Sr2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 0.95030124,
"spacegroup": 225
},
{
"id": "jvasp-119674",
"created_at": "2022-09-04T14:38:50.312895Z",
"updated_at": "2022-09-04T14:38:50.312922Z",
"structure_string": "Sr8 Ir4 N12\n1.0\n6.277851 -0.006036 -0.265573\n-10.168749 4.932735 -0.000000\n-0.009123 -0.018806 12.460999\nSr Ir N\n8 4 12\ndirect\n0.440080 0.020176 0.855744 Sr\n0.559916 0.580094 0.644256 Sr\n0.559916 0.979821 0.144256 Sr\n0.440080 0.419903 0.355744 Sr\n0.533123 0.874790 0.575517 Sr\n0.466872 0.341665 0.924483 Sr\n0.466873 0.125207 0.424483 Sr\n0.533124 0.658333 0.075517 Sr\n0.408866 0.709669 0.332172 Ir\n0.591130 0.300802 0.167829 Ir\n0.591130 0.290328 0.667829 Ir\n0.408866 0.699196 0.832172 Ir\n-0.000001 0.000514 0.750000 N\n-0.000002 0.619506 0.750000 N\n-0.000001 0.380493 0.250000 N\n0.585485 0.123484 0.632909 N\n0.414512 0.537997 0.867091 N\n0.414511 0.876513 0.367091 N\n0.585485 0.462000 0.132909 N\n0.506212 0.158022 0.041940 N\n0.493785 0.651808 0.458060 N\n0.493784 0.841976 0.958060 N\n0.506211 0.348190 0.541940 N\n-0.000002 0.999484 0.250000 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Ir",
"N"
],
"chemical_system": "Ir-N-Sr",
"density": 7.063492158551461,
"density_atomic": 0.062329264396939116,
"volume": 385.05187301999666,
"volume_molar": 9.661819080116944,
"formula_full": "Sr8 Ir4 N12",
"formula_reduced": "Sr2IrN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.4274039116666675,
"spacegroup": 15
},
{
"id": "jvasp-21528",
"created_at": "2022-09-04T14:36:04.061798Z",
"updated_at": "2022-09-04T14:36:04.061834Z",
"structure_string": "Sr8 Ir4 O16\n1.0\n5.385686 0.000000 -1.122470\n-0.233942 5.380603 -1.122470\n0.037553 0.039221 13.661854\nSr Ir O\n8 4 16\ndirect\n0.199996 0.949996 0.899993 Sr\n0.449997 0.699996 0.399993 Sr\n0.300004 0.550003 0.100007 Sr\n0.050004 0.800003 0.600007 Sr\n0.949997 0.199996 0.399993 Sr\n0.699997 0.449996 0.899993 Sr\n0.550004 0.300003 0.600007 Sr\n0.800004 0.050004 0.100007 Sr\n0.625000 0.874999 0.750000 Ir\n0.875001 0.625000 0.250000 Ir\n0.125000 0.375000 0.750000 Ir\n0.375000 0.125000 0.250000 Ir\n0.064747 0.935253 0.250000 O\n0.814747 0.564747 0.750000 O\n0.954953 0.704952 0.409904 O\n0.314747 0.685253 0.750000 O\n0.564748 0.814747 0.250000 O\n0.185253 0.435253 0.250000 O\n0.935253 0.064747 0.750000 O\n0.704953 0.954952 0.909903 O\n0.454952 0.204952 0.409904 O\n0.795048 0.545047 0.090096 O\n0.045048 0.295047 0.590096 O\n0.295048 0.045048 0.090096 O\n0.545048 0.795047 0.590096 O\n0.204952 0.454952 0.909903 O\n0.685253 0.314747 0.250000 O\n0.435253 0.185253 0.750000 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Ir-O-Sr",
"density": 7.23007308706749,
"density_atomic": 0.07064094923386699,
"volume": 396.3706646594171,
"volume_molar": 8.524999770406312,
"formula_full": "Sr8 Ir4 O16",
"formula_reduced": "Sr2IrO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 142
},
{
"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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],
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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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"formula_anonymous": "AB2C4",
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"spacegroup": 139
},
{
"id": "jvasp-116763",
"created_at": "2022-09-04T14:38:45.445295Z",
"updated_at": "2022-09-04T14:38:45.445323Z",
"structure_string": "Sr4 La2 Mn2 Co2 O14\n1.0\n5.423343 -0.002845 0.000209\n0.004811 10.011457 2.706499\n-0.000168 0.002919 5.423418\nSr La Mn Co O\n4 2 2 2 14\ndirect\n0.000036 0.002204 0.498810 Sr\n0.500068 0.002204 0.998915 Sr\n0.000040 0.363329 0.318211 Sr\n0.500036 0.363328 0.818415 Sr\n0.499962 0.637028 0.182023 La\n0.999610 0.637028 0.681235 La\n0.500039 0.192377 0.403831 Mn\n0.000064 0.192377 0.903735 Mn\n0.000001 0.810820 0.094537 Co\n0.499939 0.810820 0.594682 Co\n0.250066 0.193754 0.153077 O\n0.750065 0.193957 0.652978 O\n0.249964 0.799131 0.850447 O\n0.749958 0.799720 0.350154 O\n0.249917 0.799564 0.350287 O\n0.749921 0.799281 0.850432 O\n0.500165 0.609685 0.694674 O\n0.499919 0.002385 0.499257 O\n0.000017 0.395612 0.802322 O\n0.500067 0.395612 0.302022 O\n0.750063 0.193699 0.153108 O\n0.999806 0.609684 0.195663 O\n0.000205 0.002385 0.998248 O\n0.250062 0.194017 0.652948 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "Co-La-Mn-O-Sr",
"density": 6.091279965959938,
"density_atomic": 0.081514879074758,
"volume": 294.4247758496874,
"volume_molar": 7.387781014159443,
"formula_full": "Sr4 La2 Mn2 Co2 O14",
"formula_reduced": "Sr2LaMnCoO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.3393900217816093,
"spacegroup": 107
},
{
"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",
"nsites": 10,
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"elements": [
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],
"chemical_system": "La-Nb-O-Sr",
"density": 5.152841052731621,
"density_atomic": 0.06168619837993691,
"volume": 162.11081672448213,
"volume_molar": 9.762541570333934,
"formula_full": "Sr2 La1 Nb1 O6",
"formula_reduced": "Sr2LaNbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1699098020000003,
"spacegroup": 225
}
]
}