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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=390",
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"results": [
{
"id": "jvasp-53204",
"created_at": "2022-09-04T14:38:14.275875Z",
"updated_at": "2022-09-04T14:38:14.275900Z",
"structure_string": "Rb4 Se2 O8\n1.0\n6.201221 -0.093346 0.062901\n-3.181450 5.510433 -0.125800\n-0.083332 0.144335 8.419878\nRb Se O\n4 2 8\ndirect\n0.000008 0.004739 0.505346 Rb\n-0.000008 0.004731 0.005345 Rb\n0.383025 0.702689 0.755349 Rb\n0.616975 0.319662 0.255349 Rb\n0.301232 0.648543 0.255352 Se\n0.698768 0.347311 0.755352 Se\n0.132869 0.787729 0.255376 O\n0.101261 0.344151 0.255341 O\n0.482580 0.726993 0.093899 O\n0.482596 0.726941 0.416797 O\n0.517405 0.244345 0.916797 O\n0.517420 0.244412 0.593899 O\n0.867132 0.654861 0.755376 O\n0.898740 0.242891 0.755341 O\n",
"nsites": 14,
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],
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"volume": 285.33024778807203,
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"formula_full": "Rb4 Se2 O8",
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},
{
"id": "jvasp-8162",
"created_at": "2022-09-04T14:37:04.750560Z",
"updated_at": "2022-09-04T14:37:04.750586Z",
"structure_string": "Rb1 Sc1 O2\n1.0\n3.161262 -0.003399 5.889553\n1.478074 2.794438 5.889553\n-0.005651 -0.003399 6.684338\nRb Sc O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500000 0.500000 Sc\n0.777112 0.777114 0.777114 O\n0.222886 0.222886 0.222887 O\n",
"nsites": 4,
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"elements": [
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],
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"volume": 59.20950631105778,
"volume_molar": 8.914199533382458,
"formula_full": "Rb1 Sc1 O2",
"formula_reduced": "RbScO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8834905625,
"spacegroup": 166
},
{
"id": "jvasp-2616",
"created_at": "2022-09-04T14:37:00.605702Z",
"updated_at": "2022-09-04T14:37:00.605731Z",
"structure_string": "Rb2 Sc2 O4\n1.0\n1.632111 -2.826898 0.000000\n1.632111 2.826898 0.000000\n0.000000 0.000000 12.805840\nRb Sc O\n2 2 4\ndirect\n0.333333 0.666667 0.250000 Rb\n0.666667 0.333333 0.750000 Rb\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.333333 0.666667 0.584479 O\n0.666667 0.333333 0.084479 O\n0.333333 0.666667 0.915521 O\n0.666667 0.333333 0.415521 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Sc",
"O"
],
"chemical_system": "O-Rb-Sc",
"density": 4.564859537619702,
"density_atomic": 0.06770053327256606,
"volume": 118.167459151194,
"volume_molar": 8.895263403250505,
"formula_full": "Rb2 Sc2 O4",
"formula_reduced": "RbScO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8827030625000001,
"spacegroup": 194
},
{
"id": "jvasp-111787",
"created_at": "2022-09-04T14:38:53.034869Z",
"updated_at": "2022-09-04T14:38:53.034903Z",
"structure_string": "Rb2 Sb2 W2 O12\n1.0\n6.395292 -0.026651 -3.573809\n-2.148307 5.919981 -3.743152\n0.068839 0.026651 7.325785\nRb Sb W O\n2 2 2 12\ndirect\n0.659510 0.382327 0.777182 Rb\n0.394855 0.617673 0.277182 Rb\n-0.003731 0.500000 0.496269 Sb\n-0.003731 -0.000000 -0.003731 Sb\n0.515497 0.991197 0.024302 W\n0.033105 0.008803 0.524302 W\n0.316656 0.688792 0.752840 O\n0.934674 0.066754 0.743406 O\n0.317505 0.063209 0.754296 O\n0.916100 0.672183 0.743917 O\n0.064048 0.311207 0.627863 O\n0.064048 0.936184 0.252841 O\n0.676653 0.308733 0.243406 O\n0.316656 0.063816 0.127863 O\n0.691089 0.936791 0.254297 O\n0.071735 0.327817 0.243917 O\n0.676652 0.933246 0.867921 O\n0.934674 0.691267 0.367921 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"W",
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],
"chemical_system": "O-Rb-Sb-W",
"density": 5.7927734335612335,
"density_atomic": 0.0644605111970347,
"volume": 279.2407268533736,
"volume_molar": 9.342372016865154,
"formula_full": "Rb2 Sb2 W2 O12",
"formula_reduced": "RbSbWO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.8015374555555552,
"spacegroup": 46
},
{
"id": "jvasp-112351",
"created_at": "2022-09-04T14:38:26.382160Z",
"updated_at": "2022-09-04T14:38:26.382184Z",
"structure_string": "Rb12 Sn2 Sb6 O1\n1.0\n12.392288 0.000000 0.000000\n-6.196144 10.732036 0.000000\n-0.000000 -0.000000 6.215280\nRb Sn Sb O\n12 2 6 1\ndirect\n0.454281 0.545720 0.250124 Rb\n0.222520 0.111259 0.728218 Rb\n0.888741 0.111259 0.728218 Rb\n0.777481 0.888741 0.271782 Rb\n0.111259 0.222520 0.271782 Rb\n0.111260 0.888741 0.271782 Rb\n0.888741 0.777481 0.728218 Rb\n0.545720 0.091439 0.749876 Rb\n0.545720 0.454281 0.749876 Rb\n0.091439 0.545720 0.250124 Rb\n0.454281 0.908561 0.250124 Rb\n0.908561 0.454281 0.749876 Rb\n0.333334 0.666667 0.752283 Sn\n0.666667 0.333333 0.247717 Sn\n0.590018 0.795009 0.758900 Sb\n0.795009 0.204992 0.241100 Sb\n0.795009 0.590018 0.241100 Sb\n0.409982 0.204992 0.241100 Sb\n0.204992 0.795009 0.758900 Sb\n0.204992 0.409982 0.758900 Sb\n0.000000 0.000000 0.500000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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],
"chemical_system": "O-Rb-Sb-Sn",
"density": 4.037038484045224,
"density_atomic": 0.025405338009738168,
"volume": 826.5979374866199,
"volume_molar": 23.704233959381458,
"formula_full": "Rb12 Sn2 Sb6 O1",
"formula_reduced": "Rb12Sn2Sb6O",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 0.0733868333333334,
"spacegroup": 164
},
{
"id": "jvasp-88788",
"created_at": "2022-09-04T14:35:41.330358Z",
"updated_at": "2022-09-04T14:35:41.330389Z",
"structure_string": "Rb2 Sb2 O4\n1.0\n5.308077 0.027710 -2.081267\n-2.597718 5.276867 -0.524202\n-0.049924 0.066993 5.904343\nRb Sb O\n2 2 4\ndirect\n0.250000 0.638333 0.361667 Rb\n0.750001 0.361667 0.638333 Rb\n0.750000 0.906091 0.093910 Sb\n0.250001 0.093909 0.906090 Sb\n0.209888 0.125135 0.227957 O\n0.290112 0.772043 0.874864 O\n0.709889 0.227957 0.125135 O\n0.790113 0.874865 0.772043 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "O-Rb-Sb",
"density": 4.791662661661087,
"density_atomic": 0.048248927222861275,
"volume": 165.80679531066227,
"volume_molar": 12.481398254066452,
"formula_full": "Rb2 Sb2 O4",
"formula_reduced": "RbSbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.956133275,
"spacegroup": 15
},
{
"id": "jvasp-24941",
"created_at": "2022-09-04T14:38:03.189491Z",
"updated_at": "2022-09-04T14:38:03.189518Z",
"structure_string": "Rb4 Sb8 O22\n1.0\n7.284764 0.003438 -0.609254\n-0.235432 7.147468 -2.774853\n0.011304 -0.006171 10.585797\nRb Sb O\n4 8 22\ndirect\n0.745468 0.491887 0.983776 Rb\n0.005009 0.733438 0.466877 Rb\n0.254531 0.508113 0.016225 Rb\n0.994990 0.266562 0.533124 Rb\n0.435276 0.916667 0.348690 Sb\n0.902701 0.927767 0.855538 Sb\n0.618004 0.075692 0.151381 Sb\n0.381995 0.924309 0.848621 Sb\n0.435275 0.432027 0.348690 Sb\n0.564724 0.083334 0.651311 Sb\n0.097298 0.072233 0.144463 Sb\n0.564725 0.567973 0.651311 Sb\n0.430302 0.656347 0.824203 O\n0.430298 0.167852 0.824201 O\n0.332786 0.476240 0.528264 O\n0.345045 0.023914 0.047827 O\n0.645813 0.339938 0.679880 O\n0.812862 0.671445 0.741106 O\n0.332786 0.052026 0.528265 O\n-0.000000 0.171606 -0.000001 O\n0.187138 0.328556 0.258895 O\n0.492271 0.833551 0.667105 O\n0.507728 0.166449 0.332896 O\n0.569701 0.832149 0.175800 O\n0.000000 0.828394 0.000002 O\n0.812861 0.069652 0.741103 O\n0.354187 0.660063 0.320121 O\n0.654954 0.976087 0.952174 O\n0.569697 0.343653 0.175798 O\n0.667214 0.947974 0.471736 O\n0.132621 0.881091 0.762191 O\n0.667214 0.523761 0.471737 O\n0.187138 0.930348 0.258898 O\n0.867378 0.118910 0.237810 O\n",
"nsites": 34,
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"elements": [
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"Sb",
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],
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"density": 5.025638776046911,
"density_atomic": 0.061693752428252,
"volume": 551.1092884087573,
"volume_molar": 9.761346202767566,
"formula_full": "Rb4 Sb8 O22",
"formula_reduced": "Rb2Sb4O11",
"formula_anonymous": "A2B4C11",
"energy_above_hull": 2.194841347058824,
"spacegroup": 12
},
{
"id": "jvasp-45993",
"created_at": "2022-09-04T14:38:07.488337Z",
"updated_at": "2022-09-04T14:38:07.488357Z",
"structure_string": "Rb12 Sb4 O12\n1.0\n8.716388 -0.000000 0.000000\n-0.000000 8.716388 -0.000000\n-0.000000 -0.000000 8.716388\nRb Sb O\n12 4 12\ndirect\n0.025915 0.025915 0.025915 Rb\n0.213892 0.286108 0.713892 Rb\n0.217681 0.717682 0.782319 Rb\n0.282319 0.282319 0.282319 Rb\n0.286108 0.713892 0.213892 Rb\n0.474085 0.974085 0.525915 Rb\n0.525915 0.474085 0.974085 Rb\n0.713892 0.213892 0.286108 Rb\n0.717682 0.782319 0.217681 Rb\n0.782319 0.217681 0.717682 Rb\n0.786108 0.786108 0.786108 Rb\n0.974085 0.525915 0.474085 Rb\n0.987266 0.487266 0.012735 Sb\n0.512735 0.512735 0.512735 Sb\n0.487266 0.012735 0.987266 Sb\n0.012735 0.987266 0.487266 Sb\n0.006186 0.209400 0.444224 O\n0.055776 0.993815 0.709400 O\n0.209400 0.444224 0.006186 O\n0.290600 0.555776 0.506186 O\n0.444224 0.006186 0.209400 O\n0.493814 0.790601 0.944224 O\n0.506186 0.290600 0.555776 O\n0.555776 0.506186 0.290600 O\n0.709400 0.055776 0.993815 O\n0.790601 0.944224 0.493814 O\n0.944224 0.493814 0.790601 O\n0.993815 0.709400 0.055776 O\n",
"nsites": 28,
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],
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"density": 4.274386019797726,
"density_atomic": 0.04228130361319627,
"volume": 662.231237148067,
"volume_molar": 14.243034734909287,
"formula_full": "Rb12 Sb4 O12",
"formula_reduced": "Rb3SbO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.745540942857143,
"spacegroup": 198
},
{
"id": "jvasp-50896",
"created_at": "2022-09-04T14:37:09.219949Z",
"updated_at": "2022-09-04T14:37:09.219972Z",
"structure_string": "Rb6 Sb2 O6\n1.0\n3.938156 5.459462 0.779258\n-3.938156 5.459462 -0.779258\n-0.236216 0.000000 7.684903\nRb Sb O\n6 2 6\ndirect\n0.316104 0.683896 0.648789 Rb\n0.807628 0.807628 0.500000 Rb\n0.192371 0.192372 0.500000 Rb\n0.208242 0.208242 0.000000 Rb\n0.791757 0.791757 -0.000000 Rb\n0.683896 0.316104 0.351211 Rb\n0.280998 0.719002 0.165210 Sb\n0.719001 0.280998 0.834790 Sb\n0.966479 0.033520 0.760284 O\n0.212710 0.511298 0.301951 O\n0.488702 0.787289 0.301951 O\n0.511297 0.212711 0.698049 O\n0.787289 0.488703 0.698049 O\n0.033520 0.966480 0.239716 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.257050496932464,
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"volume": 332.4639846272367,
"volume_molar": 14.301035093254969,
"formula_full": "Rb6 Sb2 O6",
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"spacegroup": 12
},
{
"id": "jvasp-121956",
"created_at": "2022-09-04T14:38:53.957734Z",
"updated_at": "2022-09-04T14:38:53.957759Z",
"structure_string": "Rb8 Sb1 O3\n1.0\n7.300421 -0.000000 0.000000\n0.000000 7.300421 0.000000\n-0.000000 -0.000000 7.300421\nRb Sb O\n8 1 3\ndirect\n0.269688 0.269688 0.269688 Rb\n0.730312 0.730312 0.269688 Rb\n0.730312 0.269688 0.730312 Rb\n0.269688 0.730312 0.730312 Rb\n0.269688 0.269688 0.730312 Rb\n0.730312 0.730312 0.730312 Rb\n0.730312 0.269688 0.269688 Rb\n0.269688 0.730312 0.269688 Rb\n0.000000 0.000000 0.000000 Sb\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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],
"chemical_system": "O-Rb-Sb",
"density": 3.6425809428211435,
"density_atomic": 0.030841644645512516,
"volume": 389.0843091516525,
"volume_molar": 19.526003976821727,
"formula_full": "Rb8 Sb1 O3",
"formula_reduced": "Rb8SbO3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.0697772166666666,
"spacegroup": 221
},
{
"id": "jvasp-38290",
"created_at": "2022-09-04T14:37:42.984628Z",
"updated_at": "2022-09-04T14:37:42.984653Z",
"structure_string": "Rb1 Sb1 O3\n1.0\n4.079829 -0.000000 0.000000\n0.000000 4.079829 0.000000\n-0.000000 -0.000000 4.079829\nRb Sb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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],
"chemical_system": "O-Rb-Sb",
"density": 6.240913016392113,
"density_atomic": 0.07362818966057064,
"volume": 67.90877275470484,
"volume_molar": 8.17912376735371,
"formula_full": "Rb1 Sb1 O3",
"formula_reduced": "RbSbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.36799732,
"spacegroup": 221
},
{
"id": "jvasp-117144",
"created_at": "2022-09-04T14:38:48.317340Z",
"updated_at": "2022-09-04T14:38:48.317369Z",
"structure_string": "Rb4 S4 O16\n1.0\n7.554833 0.000000 0.000000\n-0.000000 6.797994 3.303685\n-0.000000 0.458871 7.706271\nRb S O\n4 4 16\ndirect\n0.493073 0.249989 0.000007 Rb\n0.993073 0.750010 -0.000006 Rb\n0.743424 0.249987 0.500021 Rb\n0.243424 0.750012 0.499980 Rb\n0.993052 0.250019 0.000001 S\n0.493052 0.749980 -0.000000 S\n0.243471 0.250012 0.500004 S\n0.743471 0.749987 0.499997 S\n0.629570 0.926821 0.373390 O\n0.129570 0.073178 0.626611 O\n0.857388 0.698829 0.374088 O\n0.357388 0.301170 0.625913 O\n0.857392 0.801182 0.625877 O\n0.357392 0.198817 0.374124 O\n0.606948 0.926821 0.873409 O\n0.606903 0.573107 0.126621 O\n0.379116 0.801162 0.125877 O\n0.879116 0.198837 0.874124 O\n0.129615 0.426883 0.373374 O\n0.106903 0.426893 0.873380 O\n0.379145 0.698837 0.874073 O\n0.879145 0.301162 0.125928 O\n0.106948 0.073178 0.126592 O\n0.629615 0.573116 0.626627 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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],
"chemical_system": "O-Rb-S",
"density": 3.1373389557182976,
"density_atomic": 0.0624473811869401,
"volume": 384.3235623949468,
"volume_molar": 9.64354412552922,
"formula_full": "Rb4 S4 O16",
"formula_reduced": "RbSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7077456666666668,
"spacegroup": 141
}
]
}