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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1587",
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"results": [
{
"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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"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-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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"density_atomic": 0.006666255818422956,
"volume": 450.0277339656181,
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"formula_full": "Rb1 Br1 Cl1",
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"spacegroup": 99
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{
"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",
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"spacegroup": 10
},
{
"id": "jvasp-38055",
"created_at": "2022-09-04T14:38:06.220401Z",
"updated_at": "2022-09-04T14:38:06.220423Z",
"structure_string": "Rb2 S1 Br1 Cl6\n1.0\n-0.000000 5.246253 5.246253\n5.246253 0.000000 5.246253\n5.246253 5.246253 -0.000000\nRb S Br Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 Br\n0.224325 0.775674 0.775674 Cl\n0.224325 0.775674 0.224325 Cl\n0.775674 0.224325 0.775674 Cl\n0.775674 0.775674 0.224325 Cl\n0.224325 0.224325 0.775674 Cl\n0.775674 0.224325 0.224325 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"S",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Rb-S",
"density": 2.8498533462685978,
"density_atomic": 0.03462759366202714,
"volume": 288.7870320300677,
"volume_molar": 17.391161565476963,
"formula_full": "Rb2 S1 Br1 Cl6",
"formula_reduced": "Rb2SBrCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-30494",
"created_at": "2022-09-04T14:38:03.850258Z",
"updated_at": "2022-09-04T14:38:03.850286Z",
"structure_string": "Sn2 Br2 Cl2\n1.0\n6.003549 -0.000000 -0.000000\n-0.000000 6.003549 0.000000\n-0.000000 -0.000000 5.635866\nSn Br Cl\n2 2 2\ndirect\n0.750000 0.750000 0.881619 Sn\n0.250000 0.250000 0.118382 Sn\n0.250000 0.750000 -0.000000 Br\n0.750000 0.250000 0.000000 Br\n0.250000 0.250000 0.561788 Cl\n0.750000 0.750000 0.438213 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sn",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Sn",
"density": 3.826859379839952,
"density_atomic": 0.02953755018275109,
"volume": 203.13126724720024,
"volume_molar": 20.3880847353303,
"formula_full": "Sn2 Br2 Cl2",
"formula_reduced": "SnBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-99500",
"created_at": "2022-09-04T14:36:33.881318Z",
"updated_at": "2022-09-04T14:36:33.881336Z",
"structure_string": "Tl4 Br3 Cl1\n1.0\n3.948587 -0.000000 0.000000\n0.000000 3.948587 0.000000\n-0.000000 -0.000000 15.793595\nTl Br Cl\n4 3 1\ndirect\n0.000000 0.000000 0.881820 Tl\n0.000000 0.000000 0.118180 Tl\n0.000000 0.000000 0.372858 Tl\n0.000000 0.000000 0.627142 Tl\n0.500000 0.500000 0.245603 Br\n0.500000 0.500000 0.500000 Br\n0.500000 0.500000 0.754397 Br\n0.500000 0.500000 -0.000000 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Br",
"Cl"
],
"chemical_system": "Br-Cl-Tl",
"density": 7.368598703825519,
"density_atomic": 0.03248819380409031,
"volume": 246.24329835759565,
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"formula_full": "Tl4 Br3 Cl1",
"formula_reduced": "Tl4Br3Cl",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-108057",
"created_at": "2022-09-04T14:38:19.978101Z",
"updated_at": "2022-09-04T14:38:19.978132Z",
"structure_string": "Tl5 Br1 Cl4\n1.0\n13.925351 0.006386 0.000000\n-12.848950 5.368420 0.000000\n-0.000000 -0.000000 3.873117\nTl Br Cl\n5 1 4\ndirect\n0.799788 0.200213 -0.000000 Tl\n0.396405 0.603595 -0.000000 Tl\n0.000000 0.000000 0.000000 Tl\n0.603595 0.396406 -0.000000 Tl\n0.200213 0.799787 -0.000000 Tl\n0.500000 0.500000 0.500000 Br\n0.101475 0.898525 0.500000 Cl\n0.701349 0.298652 0.500000 Cl\n0.298652 0.701348 0.500000 Cl\n0.898526 0.101475 0.500000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Br",
"Cl"
],
"chemical_system": "Br-Cl-Tl",
"density": 7.124452373789053,
"density_atomic": 0.03449930349013931,
"volume": 289.86092437658135,
"volume_molar": 17.455832874194883,
"formula_full": "Tl5 Br1 Cl4",
"formula_reduced": "Tl5BrCl4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 65
},
{
"id": "jvasp-5437",
"created_at": "2022-09-04T14:38:04.775965Z",
"updated_at": "2022-09-04T14:38:04.775986Z",
"structure_string": "C2 Br2 N2\n1.0\n3.928757 0.000000 0.000000\n0.000000 5.761869 0.000000\n0.000000 0.000000 5.707588\nC Br N\n2 2 2\ndirect\n0.500000 0.453341 0.500000 C\n0.000000 0.546659 0.000000 C\n0.500000 0.143230 0.500000 Br\n0.000000 0.856770 0.000000 Br\n0.000000 0.344089 0.000000 N\n0.500000 0.655911 0.500000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"C",
"Br",
"N"
],
"chemical_system": "Br-C-N",
"density": 2.7226489063278017,
"density_atomic": 0.04643870349041528,
"volume": 129.20257347921805,
"volume_molar": 12.967934734101568,
"formula_full": "C2 Br2 N2",
"formula_reduced": "CBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.453105784999999,
"spacegroup": 59
},
{
"id": "jvasp-120007",
"created_at": "2022-09-04T14:38:52.562784Z",
"updated_at": "2022-09-04T14:38:52.562805Z",
"structure_string": "C1 Br1 N1\n1.0\n4.000115 -0.000000 0.000000\n-2.000058 3.464202 -0.000000\n-0.000000 0.000000 3.037267\nC Br N\n1 1 1\ndirect\n0.333334 0.666667 0.000000 C\n0.000000 0.000000 0.000000 Br\n0.666668 0.333334 0.000000 N\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Br-C-N",
"density": 4.179017146581523,
"density_atomic": 0.07127916408921482,
"volume": 42.08803565997383,
"volume_molar": 8.448669168542065,
"formula_full": "C1 Br1 N1",
"formula_reduced": "CBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 4.411919118333333,
"spacegroup": 187
},
{
"id": "jvasp-120008",
"created_at": "2022-09-04T14:38:37.065438Z",
"updated_at": "2022-09-04T14:38:37.065458Z",
"structure_string": "C1 Br1 N1\n1.0\n3.105814 1.793143 1.897704\n-3.105814 1.793143 1.897704\n0.000000 -3.586286 1.897704\nC Br N\n1 1 1\ndirect\n0.330502 0.330502 0.330502 C\n0.014185 0.014185 0.014182 Br\n0.535317 0.535317 0.535317 N\n",
"nsites": 3,
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"volume": 63.41180155368906,
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"formula_full": "C1 Br1 N1",
"formula_reduced": "CBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.446725784999999,
"spacegroup": 160
},
{
"id": "jvasp-4198",
"created_at": "2022-09-04T14:38:06.969452Z",
"updated_at": "2022-09-04T14:38:06.969476Z",
"structure_string": "Co1 Br2\n1.0\n1.837602 -3.182820 0.000000\n1.837602 3.182820 0.000000\n0.000000 0.000000 6.101241\nCo Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.333332 0.666666 0.762173 Br\n0.666666 0.333332 0.237827 Br\n",
"nsites": 3,
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"elements": [
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"Br"
],
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"density": 5.089416211951017,
"density_atomic": 0.04203485423747464,
"volume": 71.36934466458693,
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"formula_full": "Co1 Br2",
"formula_reduced": "CoBr2",
"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-78437",
"created_at": "2022-09-04T14:36:33.830380Z",
"updated_at": "2022-09-04T14:36:33.830406Z",
"structure_string": "Co1 Br1\n1.0\n-1.719539 -2.978330 -0.000000\n-1.719539 2.978330 0.000000\n0.000000 -0.000000 -4.503653\nCo Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Br\n",
"nsites": 2,
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"elements": [
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"volume": 46.12960792546359,
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"formula_full": "Co1 Br1",
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"formula_anonymous": "AB",
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"spacegroup": 191
}
]
}