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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=391",
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"results": [
{
"id": "jvasp-98238",
"created_at": "2022-09-04T14:35:52.394191Z",
"updated_at": "2022-09-04T14:35:52.394210Z",
"structure_string": "Rb8 Ru4 O16\n1.0\n6.187962 0.000000 0.000000\n0.000000 8.096409 0.000000\n0.000000 0.000000 10.973314\nRb Ru O\n8 4 16\ndirect\n0.250000 0.490650 0.797430 Rb\n0.250000 0.990651 0.702569 Rb\n0.750000 0.009350 0.297430 Rb\n0.750000 0.509350 0.202570 Rb\n0.750000 0.344035 0.582384 Rb\n0.250000 0.655966 0.417616 Rb\n0.750000 0.844035 0.917616 Rb\n0.250000 0.155966 0.082384 Rb\n0.750000 0.780295 0.578274 Ru\n0.750000 0.280295 0.921725 Ru\n0.250000 0.219705 0.421725 Ru\n0.250000 0.719705 0.078274 Ru\n0.515074 0.698365 0.652134 O\n0.984925 0.698365 0.652134 O\n0.484926 0.301635 0.347865 O\n0.484926 0.801635 0.152135 O\n0.984925 0.198365 0.847865 O\n0.015074 0.301635 0.347865 O\n0.250000 -0.000054 0.421008 O\n0.250000 0.305094 0.573300 O\n0.250000 0.499946 0.078992 O\n0.750000 0.500054 0.921008 O\n0.250000 0.805094 0.926700 O\n0.750000 0.194906 0.073300 O\n0.015074 0.801635 0.152135 O\n0.750000 0.694907 0.426700 O\n0.750000 0.000054 0.578992 O\n0.515074 0.198365 0.847865 O\n",
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],
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"density": 4.059519375977229,
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"volume": 549.7660076750353,
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"formula_full": "Rb8 Ru4 O16",
"formula_reduced": "Rb2RuO4",
"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-38292",
"created_at": "2022-09-04T14:37:47.656122Z",
"updated_at": "2022-09-04T14:37:47.656135Z",
"structure_string": "Rb1 Ru1 O3\n1.0\n3.952619 -0.000000 0.000000\n-0.000000 3.952619 0.000000\n-0.000000 -0.000000 3.952619\nRb Ru O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.306722899138126,
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"volume": 61.75254514152199,
"volume_molar": 7.4376503826099905,
"formula_full": "Rb1 Ru1 O3",
"formula_reduced": "RbRuO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-107474",
"created_at": "2022-09-04T14:36:59.918367Z",
"updated_at": "2022-09-04T14:36:59.918395Z",
"structure_string": "Rb1 Rh1 O3\n1.0\n3.996540 -0.000000 0.000000\n0.000000 3.996540 0.000000\n-0.000000 -0.000000 3.996540\nRb Rh O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rh\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "O-Rb-Rh",
"density": 6.14881910590957,
"density_atomic": 0.07832808561176204,
"volume": 63.83406361777826,
"volume_molar": 7.688354327781111,
"formula_full": "Rb1 Rh1 O3",
"formula_reduced": "RbRhO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7643126999999996,
"spacegroup": 221
},
{
"id": "jvasp-8771",
"created_at": "2022-09-04T14:37:01.058147Z",
"updated_at": "2022-09-04T14:37:01.058175Z",
"structure_string": "Rb2 O4\n1.0\n6.259446 -0.000000 0.000000\n6.259446 4.653910 -0.569349\n3.129723 2.766405 3.238279\nRb O\n2 4\ndirect\n0.624983 0.000000 0.500000 Rb\n0.625016 0.500000 0.500000 Rb\n1.233342 -0.249856 0.000113 O\n0.233742 1.249857 0.999887 O\n0.016657 0.749857 0.999887 O\n1.016259 0.250144 0.000113 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
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],
"chemical_system": "O-Rb",
"density": 3.7441677484833935,
"density_atomic": 0.05758548868753675,
"volume": 104.19291624937765,
"volume_molar": 10.457740130810725,
"formula_full": "Rb2 O4",
"formula_reduced": "RbO2",
"formula_anonymous": "AB2",
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"spacegroup": 65
},
{
"id": "jvasp-8148",
"created_at": "2022-09-04T14:37:03.750001Z",
"updated_at": "2022-09-04T14:37:03.750022Z",
"structure_string": "Rb2 O2\n1.0\n3.787479 0.000000 1.717228\n1.578091 4.582013 1.554802\n-0.024481 -0.007251 5.089397\nRb O\n2 2\ndirect\n0.746416 0.253584 0.253584 Rb\n0.253584 0.746416 0.746416 Rb\n0.000000 0.627250 0.372750 O\n0.000000 0.372750 0.627250 O\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.8060341443324774,
"density_atomic": 0.04517809373365415,
"volume": 88.53848556740482,
"volume_molar": 13.329780569103507,
"formula_full": "Rb2 O2",
"formula_reduced": "RbO",
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"spacegroup": 71
},
{
"id": "jvasp-16737",
"created_at": "2022-09-04T14:37:58.491160Z",
"updated_at": "2022-09-04T14:37:58.491174Z",
"structure_string": "Rb1 O2\n1.0\n3.639131 0.000000 -1.880637\n-0.971879 3.506955 -1.880637\n0.033612 0.044193 4.526315\nRb O\n1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.402638 0.402637 0.805274 O\n0.597361 0.597360 0.194722 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
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],
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"density": 3.341694129440105,
"density_atomic": 0.051395424140926314,
"volume": 58.370955199707986,
"volume_molar": 11.717270283609846,
"formula_full": "Rb1 O2",
"formula_reduced": "RbO2",
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"spacegroup": 139
},
{
"id": "jvasp-50259",
"created_at": "2022-09-04T14:37:00.233785Z",
"updated_at": "2022-09-04T14:37:00.233809Z",
"structure_string": "Rb8 O4\n1.0\n4.614789 0.000000 0.000000\n0.000000 7.173967 0.000000\n0.000000 0.000000 8.636591\nRb O\n8 4\ndirect\n0.750000 0.988328 0.160408 Rb\n0.750000 0.860333 0.585303 Rb\n0.250000 0.639668 0.085303 Rb\n0.250000 0.511672 0.660408 Rb\n0.750000 0.488328 0.339592 Rb\n0.750000 0.360333 0.914696 Rb\n0.250000 0.139668 0.414696 Rb\n0.250000 0.011672 0.839592 Rb\n0.250000 0.742536 0.404011 O\n0.750000 0.757464 0.904011 O\n0.250000 0.242536 0.095989 O\n0.750000 0.257464 0.595989 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"chemical_system": "O-Rb",
"density": 4.342563066768136,
"density_atomic": 0.04196890799950636,
"volume": 285.92595261571125,
"volume_molar": 14.34905277990753,
"formula_full": "Rb8 O4",
"formula_reduced": "Rb2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0097366666666666,
"spacegroup": 62
},
{
"id": "jvasp-102149",
"created_at": "2022-09-04T14:36:33.146243Z",
"updated_at": "2022-09-04T14:36:33.146267Z",
"structure_string": "Rb2 O2\n1.0\n4.120408 0.000000 0.000000\n0.000000 4.076991 0.254029\n0.000000 -0.261369 5.561184\nRb O\n2 2\ndirect\n0.750000 0.749968 0.749965 Rb\n0.250000 0.250031 0.250034 Rb\n0.750000 0.750100 0.249997 O\n0.250000 0.249900 0.750003 O\n",
"nsites": 4,
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],
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"density": 3.5965624102036413,
"density_atomic": 0.04269163846810808,
"volume": 93.695162414254,
"volume_molar": 14.106136414742476,
"formula_full": "Rb2 O2",
"formula_reduced": "RbO",
"formula_anonymous": "AB",
"energy_above_hull": 0.2713383749999999,
"spacegroup": 139
},
{
"id": "jvasp-9104",
"created_at": "2022-09-04T14:37:29.003977Z",
"updated_at": "2022-09-04T14:37:29.004002Z",
"structure_string": "Rb4 O12\n1.0\n0.000000 6.387447 -0.078730\n5.925139 0.000000 0.000000\n0.000000 -4.733867 -7.361872\nRb O\n4 12\ndirect\n0.228233 0.747055 0.585572 Rb\n0.771766 0.247055 0.914428 Rb\n0.771767 0.252945 0.414428 Rb\n0.228233 0.752945 0.085572 Rb\n0.094992 0.435924 0.787703 O\n0.905008 0.935924 0.712296 O\n0.905008 0.564077 0.212296 O\n0.094992 0.064076 0.287704 O\n0.284664 0.212264 0.385739 O\n0.715336 0.712264 0.114260 O\n0.715336 0.787736 0.614260 O\n0.284664 0.287736 0.885739 O\n0.326010 0.255713 0.553897 O\n0.673989 0.755713 0.946103 O\n0.673990 0.744287 0.446103 O\n0.326010 0.244287 0.053897 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Rb",
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],
"chemical_system": "O-Rb",
"density": 3.156727367433233,
"density_atomic": 0.05697408045253984,
"volume": 280.82945565621213,
"volume_molar": 10.569965696974299,
"formula_full": "Rb4 O12",
"formula_reduced": "RbO3",
"formula_anonymous": "AB3",
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"spacegroup": 14
},
{
"id": "jvasp-7789",
"created_at": "2022-09-04T14:37:17.011132Z",
"updated_at": "2022-09-04T14:37:17.011167Z",
"structure_string": "Rb2 O1\n1.0\n4.140647 -0.000000 2.390604\n1.380216 3.903840 2.390604\n0.000000 -0.000000 4.781208\nRb O\n2 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.03881712803744517,
"volume": 77.28547040126287,
"volume_molar": 15.51413271530729,
"formula_full": "Rb2 O1",
"formula_reduced": "Rb2O",
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"energy_above_hull": 0.0081966666666667,
"spacegroup": 225
},
{
"id": "jvasp-43624",
"created_at": "2022-09-04T14:35:49.082059Z",
"updated_at": "2022-09-04T14:35:49.082075Z",
"structure_string": "Rb16 O8\n1.0\n6.688122 0.000000 0.000000\n-0.000000 6.945517 0.000000\n0.000000 0.000000 13.358731\nRb O\n16 8\ndirect\n-0.000918 0.261563 0.023274 Rb\n0.000918 0.738438 0.976726 Rb\n0.500917 0.761563 0.976726 Rb\n0.173329 0.102523 0.801839 Rb\n0.673329 0.397477 0.801839 Rb\n0.673329 0.897477 0.698161 Rb\n0.000918 0.238438 0.523274 Rb\n0.500917 0.261563 0.523274 Rb\n0.173329 0.602524 0.698161 Rb\n-0.000918 0.761563 0.476726 Rb\n0.826671 0.397477 0.301839 Rb\n0.326671 0.102523 0.301839 Rb\n0.326671 0.602524 0.198161 Rb\n0.826671 0.897477 0.198161 Rb\n0.499082 0.238438 0.023274 Rb\n0.499082 0.738438 0.476726 Rb\n0.268546 0.465812 0.885406 O\n0.231453 0.965812 0.114594 O\n0.731453 0.534188 0.114594 O\n0.731453 0.034188 0.385406 O\n0.231453 0.465812 0.385406 O\n0.268546 0.965812 0.614594 O\n0.768546 0.534188 0.614594 O\n0.768546 0.034188 0.885406 O\n",
"nsites": 24,
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],
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"density_atomic": 0.038675618866083686,
"volume": 620.5459848774814,
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"formula_full": "Rb16 O8",
"formula_reduced": "Rb2O",
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"spacegroup": 61
},
{
"id": "jvasp-50160",
"created_at": "2022-09-04T14:36:30.977404Z",
"updated_at": "2022-09-04T14:36:30.977428Z",
"structure_string": "Rb4 O2\n1.0\n0.000000 4.766619 -0.069314\n4.798710 0.000000 0.000000\n0.000000 -0.099212 -6.760631\nRb O\n4 2\ndirect\n0.250022 0.749855 -0.000360 Rb\n0.249994 0.750121 0.499958 Rb\n0.750007 0.250121 0.500041 Rb\n0.749979 0.249855 0.000359 Rb\n0.249969 0.250025 0.749986 O\n0.750031 0.750025 0.250013 O\n",
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"formula_full": "Rb4 O2",
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"formula_anonymous": "AB2",
"energy_above_hull": 0.0082966666666667,
"spacegroup": 225
}
]
}