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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1567",
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"results": [
{
"id": "jvasp-34245",
"created_at": "2022-09-04T14:37:13.363423Z",
"updated_at": "2022-09-04T14:37:13.363446Z",
"structure_string": "Rb4 C1 O4\n1.0\n4.907817 -0.000019 -2.194286\n-1.259181 5.424026 -2.816123\n0.023090 -0.137909 6.636952\nRb C O\n4 1 4\ndirect\n0.479548 0.377316 0.290096 Rb\n0.810533 0.912755 0.290091 Rb\n0.189454 0.622692 0.709909 Rb\n0.520429 0.087253 0.709900 Rb\n0.000007 0.499996 -0.000000 C\n0.765746 0.550658 0.836234 O\n0.929497 0.449335 0.163764 O\n0.234279 0.714419 0.163774 O\n0.070511 0.285576 0.836233 O\n",
"nsites": 9,
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],
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"volume": 174.66407614933976,
"volume_molar": 11.687240580963142,
"formula_full": "Rb4 C1 O4",
"formula_reduced": "Rb4CO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 23
},
{
"id": "jvasp-34210",
"created_at": "2022-09-04T14:37:13.949431Z",
"updated_at": "2022-09-04T14:37:13.949457Z",
"structure_string": "Rb4 C1 O4\n1.0\n5.105946 0.000000 2.181281\n2.552973 6.226174 1.090640\n0.106810 0.000000 6.816150\nRb C O\n4 1 4\ndirect\n0.975836 0.350679 0.000008 Rb\n0.024161 -0.000000 0.649322 Rb\n0.326515 0.649320 0.000008 Rb\n0.673478 -0.000000 0.350678 Rb\n0.500005 -0.000000 -0.000008 C\n0.258254 -0.000000 0.191283 O\n0.741762 0.808719 -0.000007 O\n0.449511 -0.000000 0.808724 O\n0.550481 0.191280 -0.000007 O\n",
"nsites": 9,
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"elements": [
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"volume": 215.23828232245913,
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"formula_full": "Rb4 C1 O4",
"formula_reduced": "Rb4CO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 121
},
{
"id": "jvasp-34199",
"created_at": "2022-09-04T14:37:07.490913Z",
"updated_at": "2022-09-04T14:37:07.490930Z",
"structure_string": "Rb2 C4 O4\n1.0\n4.458250 0.047975 0.232598\n0.248007 5.718639 2.593878\n0.118032 -0.091164 6.282576\nRb C O\n2 4 4\ndirect\n0.697623 0.655995 0.655995 Rb\n0.302377 0.344006 0.344006 Rb\n0.104854 0.158356 0.943372 C\n0.895147 0.056633 0.841644 C\n0.895146 0.841644 0.056629 C\n0.104852 0.943367 0.158357 C\n0.227331 0.351001 0.872850 O\n0.227334 0.872850 0.351000 O\n0.772666 0.127150 0.649001 O\n0.772669 0.649000 0.127151 O\n",
"nsites": 10,
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"elements": [
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"C",
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],
"chemical_system": "C-O-Rb",
"density": 2.918462105486419,
"density_atomic": 0.06210911740938759,
"volume": 161.00695706373912,
"volume_molar": 9.696065587771132,
"formula_full": "Rb2 C4 O4",
"formula_reduced": "Rb(CO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.1757393999999994,
"spacegroup": 12
},
{
"id": "jvasp-34254",
"created_at": "2022-09-04T14:37:13.290290Z",
"updated_at": "2022-09-04T14:37:13.290307Z",
"structure_string": "Rb4 C1 O4\n1.0\n5.316832 0.001850 -2.764850\n-1.315485 5.958318 -2.532750\n-0.334998 -0.449453 5.849152\nRb C O\n4 1 4\ndirect\n0.018555 0.583262 0.374368 Rb\n0.183868 0.164079 0.759944 Rb\n0.424056 0.835681 0.240156 Rb\n0.643961 0.416629 0.625289 Rb\n0.872931 0.000068 0.000054 C\n0.135941 0.167640 0.244890 O\n0.793359 0.879920 0.109391 O\n0.684449 0.120516 0.890487 O\n0.891379 0.832208 0.755423 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"C",
"O"
],
"chemical_system": "C-O-Rb",
"density": 4.031814296494428,
"density_atomic": 0.05229291673330343,
"volume": 172.10743944348073,
"volume_molar": 11.516169179686853,
"formula_full": "Rb4 C1 O4",
"formula_reduced": "Rb4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.4080737777777776,
"spacegroup": 5
},
{
"id": "jvasp-8701",
"created_at": "2022-09-04T14:37:04.760785Z",
"updated_at": "2022-09-04T14:37:04.760820Z",
"structure_string": "Rb3 Br1 O1\n1.0\n5.464146 -0.000000 -0.000000\n0.000000 5.464146 0.000000\n0.000000 0.000000 5.464146\nRb Br O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"Br",
"O"
],
"chemical_system": "Br-O-Rb",
"density": 3.585941812202233,
"density_atomic": 0.030648069179638488,
"volume": 163.14241431306303,
"volume_molar": 19.649331658390086,
"formula_full": "Rb3 Br1 O1",
"formula_reduced": "Rb3BrO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-8697",
"created_at": "2022-09-04T14:37:05.657034Z",
"updated_at": "2022-09-04T14:37:05.657046Z",
"structure_string": "Rb4 Br2 O1\n1.0\n5.175028 -0.000000 -1.557487\n-0.468744 5.153755 -1.557487\n0.011949 0.013086 9.415925\nRb Br O\n4 2 1\ndirect\n0.843685 0.843684 0.687366 Rb\n0.156316 0.156316 0.312633 Rb\n0.000000 0.500000 -0.000000 Rb\n0.500000 0.000000 -0.000000 Rb\n0.641692 0.641691 0.283383 Br\n0.358309 0.358309 0.716616 Br\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Br",
"O"
],
"chemical_system": "Br-O-Rb",
"density": 3.4201504215404097,
"density_atomic": 0.027850560340344777,
"volume": 251.34144212745645,
"volume_molar": 21.62305061875624,
"formula_full": "Rb4 Br2 O1",
"formula_reduced": "Rb4Br2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0022514285714285,
"spacegroup": 139
},
{
"id": "jvasp-59074",
"created_at": "2022-09-04T14:36:58.097488Z",
"updated_at": "2022-09-04T14:36:58.097500Z",
"structure_string": "Rb12 Br8 O2\n1.0\n9.264329 0.045283 0.218368\n0.214346 9.261959 0.218368\n0.046117 0.045283 9.266787\nRb Br O\n12 8 2\ndirect\n0.220468 0.560708 0.429726 Rb\n0.720468 0.929726 0.060708 Rb\n0.060708 0.720467 0.929726 Rb\n0.439293 0.570274 0.779533 Rb\n0.570275 0.779533 0.439293 Rb\n0.779533 0.439292 0.570275 Rb\n0.929726 0.060707 0.720468 Rb\n0.070275 0.939292 0.279533 Rb\n0.939293 0.279533 0.070274 Rb\n0.560708 0.429726 0.220467 Rb\n0.429726 0.220467 0.560708 Rb\n0.279533 0.070274 0.939293 Rb\n0.878571 0.621429 0.250000 Br\n0.250001 0.878570 0.621430 Br\n0.621430 0.250000 0.878571 Br\n0.121430 0.378570 0.750000 Br\n0.750000 0.121429 0.378571 Br\n0.378571 0.750000 0.121430 Br\n0.250000 0.250000 0.250000 Br\n0.750001 0.750000 0.750001 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Br",
"O"
],
"chemical_system": "Br-O-Rb",
"density": 3.5448171410170466,
"density_atomic": 0.027677407049163598,
"volume": 794.8721482804089,
"volume_molar": 21.758327105219156,
"formula_full": "Rb12 Br8 O2",
"formula_reduced": "Rb6Br4O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-12932",
"created_at": "2022-09-04T14:36:34.703410Z",
"updated_at": "2022-09-04T14:36:34.703438Z",
"structure_string": "Rb2 Br2 F8\n1.0\n6.289948 -0.000000 -3.043027\n-1.472192 6.115234 -3.043027\n-0.615804 -0.781648 6.749317\nRb Br F\n2 2 8\ndirect\n0.500000 0.500000 -0.000001 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 -0.000000 -0.000000 Br\n0.000000 0.500000 -0.000000 Br\n0.992069 0.492068 0.276500 F\n0.715570 0.215569 0.723499 F\n0.007932 0.507931 0.723499 F\n0.215570 0.007931 0.723500 F\n0.284431 0.784430 0.276500 F\n0.492069 0.284431 0.276500 F\n0.784431 0.992068 0.276500 F\n0.507932 0.715568 0.723499 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Br",
"F"
],
"chemical_system": "Br-F-Rb",
"density": 3.4899394954722247,
"density_atomic": 0.05224503374133839,
"volume": 229.6869030540048,
"volume_molar": 11.526723840997423,
"formula_full": "Rb2 Br2 F8",
"formula_reduced": "RbBrF4",
"formula_anonymous": "ABC4",
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"spacegroup": 140
},
{
"id": "jvasp-115687",
"created_at": "2022-09-04T14:38:48.299562Z",
"updated_at": "2022-09-04T14:38:48.299593Z",
"structure_string": "Rb1 Br1 Cl1\n1.0\n6.262099 2.184023 0.000000\n1.980196 5.878709 0.000000\n0.000000 0.000000 4.572970\nRb Br Cl\n1 1 1\ndirect\n-0.023932 -0.050365 0.000000 Rb\n0.477053 -0.051796 0.000000 Br\n-0.022605 0.448611 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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],
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"density": 2.2446135527930147,
"density_atomic": 0.020192793078436338,
"volume": 148.5678572719921,
"volume_molar": 29.823218296784198,
"formula_full": "Rb1 Br1 Cl1",
"formula_reduced": "RbBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 10
},
{
"id": "jvasp-115685",
"created_at": "2022-09-04T14:38:45.564055Z",
"updated_at": "2022-09-04T14:38:45.564070Z",
"structure_string": "Rb1 Br1 Cl1\n1.0\n7.232421 0.000000 0.000000\n0.000000 7.232421 -0.000000\n0.000000 0.000000 8.603435\nRb Br Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000389 Rb\n0.000000 0.000000 0.354393 Br\n0.000000 0.000000 0.665835 Cl\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Br-Cl-Rb",
"density": 0.7410152769998153,
"density_atomic": 0.006666255818422956,
"volume": 450.0277339656181,
"volume_molar": 90.33767866149283,
"formula_full": "Rb1 Br1 Cl1",
"formula_reduced": "RbBrCl",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-105416",
"created_at": "2022-09-04T14:36:45.641875Z",
"updated_at": "2022-09-04T14:36:45.641904Z",
"structure_string": "Rb3 Br2 Cl1\n1.0\n4.664658 -0.003701 -9.619728\n-0.249366 4.657990 -9.619728\n0.003511 0.003701 10.691033\nRb Br Cl\n3 2 1\ndirect\n0.662965 0.662965 -0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.337035 0.337035 -0.000000 Rb\n0.832677 0.832677 -0.000001 Br\n0.167323 0.167323 -0.000000 Br\n0.500000 0.500000 -0.000000 Cl\n",
"nsites": 6,
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"elements": [
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],
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"volume": 232.6165533333483,
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"formula_full": "Rb3 Br2 Cl1",
"formula_reduced": "Rb3Br2Cl",
"formula_anonymous": "AB2C3",
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"spacegroup": 139
},
{
"id": "jvasp-58958",
"created_at": "2022-09-04T14:38:17.196996Z",
"updated_at": "2022-09-04T14:38:17.197010Z",
"structure_string": "Rb12 Bi4 Se12\n1.0\n10.121481 0.000000 -0.000000\n-0.000000 10.121481 0.000000\n-0.000000 -0.000000 10.121481\nRb Bi Se\n12 4 12\ndirect\n0.324028 0.324028 0.324028 Rb\n0.175972 0.675972 0.824028 Rb\n0.824028 0.175972 0.675972 Rb\n0.675972 0.824028 0.175972 Rb\n0.569787 0.569787 0.569787 Rb\n0.930213 0.430213 0.069787 Rb\n0.069787 0.930213 0.430213 Rb\n0.430213 0.069787 0.930213 Rb\n0.813842 0.813842 0.813842 Rb\n0.686158 0.186158 0.313842 Rb\n0.313842 0.686158 0.186158 Rb\n0.186158 0.313842 0.686158 Rb\n0.965128 0.534872 0.465128 Bi\n0.534872 0.465128 0.965128 Bi\n0.465128 0.965128 0.534872 Bi\n0.034872 0.034872 0.034872 Bi\n0.219696 0.612012 0.499019 Se\n0.499019 0.219696 0.612012 Se\n0.612012 0.499019 0.219696 Se\n0.887988 0.500981 0.719696 Se\n0.999019 0.280304 0.387988 Se\n0.387988 0.999019 0.280304 Se\n0.000981 0.780304 0.112012 Se\n0.500981 0.719696 0.887988 Se\n0.112012 0.000981 0.780304 Se\n0.719696 0.887988 0.500981 Se\n0.780304 0.112012 0.000981 Se\n0.280304 0.387988 0.999019 Se\n",
"nsites": 28,
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],
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"volume": 1036.8888217728882,
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"formula_full": "Rb12 Bi4 Se12",
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"formula_anonymous": "AB3C3",
"energy_above_hull": 0.2234292000000001,
"spacegroup": 198
}
]
}