HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1185",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1183",
"results": [
{
"id": "jvasp-12150",
"created_at": "2022-09-04T14:36:06.640286Z",
"updated_at": "2022-09-04T14:36:06.640307Z",
"structure_string": "Sc2 H2 O4\n1.0\n1.832088 5.507571 1.070665\n-1.993829 5.472690 0.656907\n0.581464 0.460183 3.776851\nSc H O\n2 2 4\ndirect\n0.444217 0.800671 0.330912 Sc\n0.580365 0.164514 0.694770 Sc\n0.060669 0.467559 0.448960 H\n-0.018237 0.046434 0.027854 H\n0.348481 0.248617 0.279741 O\n0.643830 0.755725 0.733377 O\n-0.118576 0.215644 0.246805 O\n0.137500 0.762072 0.739675 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"H",
"O"
],
"chemical_system": "H-O-Sc",
"density": 3.3844402265054816,
"density_atomic": 0.10457097044295378,
"volume": 76.50306740114084,
"volume_molar": 5.758903005767969,
"formula_full": "Sc2 H2 O4",
"formula_reduced": "ScHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8306280625,
"spacegroup": 9
},
{
"id": "jvasp-118489",
"created_at": "2022-09-04T14:38:52.981303Z",
"updated_at": "2022-09-04T14:38:52.981318Z",
"structure_string": "Sc1 H2 O2\n1.0\n3.768717 0.000000 -0.000000\n-1.884359 3.263805 -0.000000\n0.000000 0.000000 3.784114\nSc H O\n1 2 2\ndirect\n0.000000 0.000000 0.938442 Sc\n0.666668 0.333333 0.079448 H\n0.333334 0.666666 0.424276 H\n0.666668 0.333333 0.813455 O\n0.333334 0.666666 0.166852 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sc",
"H",
"O"
],
"chemical_system": "H-O-Sc",
"density": 2.8172964602856005,
"density_atomic": 0.10742072094605028,
"volume": 46.5459545976343,
"volume_molar": 5.606125807910458,
"formula_full": "Sc1 H2 O2",
"formula_reduced": "Sc(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.36719245,
"spacegroup": 156
},
{
"id": "jvasp-118486",
"created_at": "2022-09-04T14:38:51.629530Z",
"updated_at": "2022-09-04T14:38:51.629566Z",
"structure_string": "Sc1 H1 O1\n1.0\n3.185689 -0.000000 -0.000000\n0.000000 3.185689 0.000000\n-0.000000 0.000000 6.094926\nSc H O\n1 1 1\ndirect\n0.000000 0.000000 0.726509 Sc\n0.000000 0.000000 0.183907 H\n0.000000 0.000000 0.025350 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"H",
"O"
],
"chemical_system": "H-O-Sc",
"density": 1.6634437175241896,
"density_atomic": 0.04850048323834027,
"volume": 61.85505379930855,
"volume_molar": 12.416661356560295,
"formula_full": "Sc1 H1 O1",
"formula_reduced": "ScHO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.96538625,
"spacegroup": 99
},
{
"id": "jvasp-118488",
"created_at": "2022-09-04T14:38:34.140645Z",
"updated_at": "2022-09-04T14:38:34.140669Z",
"structure_string": "Sc2 H2 O2\n1.0\n3.599232 0.000000 0.000000\n0.000000 3.599232 0.000000\n0.000000 0.000000 4.943024\nSc H O\n2 2 2\ndirect\n0.000000 0.499999 0.713212 Sc\n0.499999 0.000000 0.286787 Sc\n0.000000 0.000000 0.000000 H\n0.499999 0.499999 0.000000 H\n0.499999 0.499999 0.499999 O\n0.000000 0.000000 0.499999 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"H",
"O"
],
"chemical_system": "H-O-Sc",
"density": 3.2136671530731373,
"density_atomic": 0.0936998398257871,
"volume": 64.0342610100038,
"volume_molar": 6.427055554413712,
"formula_full": "Sc2 H2 O2",
"formula_reduced": "ScHO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4870762499999997,
"spacegroup": 129
},
{
"id": "jvasp-118484",
"created_at": "2022-09-04T14:38:34.013896Z",
"updated_at": "2022-09-04T14:38:34.013919Z",
"structure_string": "Sc1 H1 O1\n1.0\n3.586269 -0.000000 0.000000\n-1.793134 3.105800 -0.000000\n0.000000 -0.000000 4.177577\nSc H O\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sc\n0.000000 0.000000 0.000000 H\n0.333334 0.666666 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"H",
"O"
],
"chemical_system": "H-O-Sc",
"density": 2.211273640295178,
"density_atomic": 0.06447338073219804,
"volume": 46.53083126602354,
"volume_molar": 9.340507185460092,
"formula_full": "Sc1 H1 O1",
"formula_reduced": "ScHO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7882762499999998,
"spacegroup": 187
},
{
"id": "jvasp-118482",
"created_at": "2022-09-04T14:38:34.001857Z",
"updated_at": "2022-09-04T14:38:34.001898Z",
"structure_string": "Sc2 H2 O2\n1.0\n1.750303 1.010538 5.731377\n-1.750303 1.010538 5.731377\n-0.000000 -2.021076 5.731377\nSc H O\n2 2 2\ndirect\n0.745671 0.745671 0.745674 Sc\n0.254328 0.254328 0.254329 Sc\n0.134076 0.134076 0.134077 H\n0.865923 0.865923 0.865927 H\n0.616725 0.616725 0.616728 O\n0.383274 0.383274 0.383276 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"H",
"O"
],
"chemical_system": "H-O-Sc",
"density": 3.38327408704491,
"density_atomic": 0.0986450136068679,
"volume": 60.824159079261,
"volume_molar": 6.104860793065696,
"formula_full": "Sc2 H2 O2",
"formula_reduced": "ScHO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4645429166666666,
"spacegroup": 166
},
{
"id": "jvasp-118483",
"created_at": "2022-09-04T14:38:45.000173Z",
"updated_at": "2022-09-04T14:38:45.000199Z",
"structure_string": "Sc1 H1 O1\n1.0\n3.138817 0.980458 0.000000\n1.665436 5.611624 0.000000\n0.000000 0.000000 3.127195\nSc H O\n1 1 1\ndirect\n0.144920 0.307481 0.000000 Sc\n0.093505 -0.143070 0.000000 H\n-0.111860 0.062292 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"H",
"O"
],
"chemical_system": "H-O-Sc",
"density": 2.0588522446127406,
"density_atomic": 0.06002928005804764,
"volume": 49.97561185306626,
"volume_molar": 10.03200563820965,
"formula_full": "Sc1 H1 O1",
"formula_reduced": "ScHO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.86937625,
"spacegroup": 25
},
{
"id": "jvasp-51128",
"created_at": "2022-09-04T14:36:59.812947Z",
"updated_at": "2022-09-04T14:36:59.812966Z",
"structure_string": "Sc1 Hg1 W2\n1.0\n-0.000000 3.300068 3.300068\n3.300068 -0.000000 3.300068\n3.300068 3.300068 -0.000000\nSc Hg W\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Hg\n0.750000 0.750000 0.750000 W\n0.250000 0.250000 0.250000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Hg",
"W"
],
"chemical_system": "Hg-Sc-W",
"density": 14.166772929824734,
"density_atomic": 0.05564950799264005,
"volume": 71.87844321155583,
"volume_molar": 10.821552565741392,
"formula_full": "Sc1 Hg1 W2",
"formula_reduced": "ScHgW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.418602462499999,
"spacegroup": 225
},
{
"id": "jvasp-81940",
"created_at": "2022-09-04T14:37:05.398840Z",
"updated_at": "2022-09-04T14:37:05.398849Z",
"structure_string": "Sc1 Hg1 Au2\n1.0\n-10.948257 4.017903 0.108906\n-7.673162 1.393383 2.472589\n-6.309814 5.253351 0.069641\nSc Hg Au\n1 1 2\ndirect\n0.000000 0.000001 0.999999 Sc\n0.500000 0.000001 -0.000000 Hg\n0.750389 -0.000264 -0.000262 Au\n0.249611 0.000266 0.000262 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-Sc",
"density": 13.758914260023381,
"density_atomic": 0.05182851160316576,
"volume": 77.1775973546513,
"volume_molar": 11.619358869707845,
"formula_full": "Sc1 Hg1 Au2",
"formula_reduced": "ScHgAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3290912475,
"spacegroup": 139
},
{
"id": "jvasp-18717",
"created_at": "2022-09-04T14:36:47.350605Z",
"updated_at": "2022-09-04T14:36:47.350630Z",
"structure_string": "Sc2 Hg6\n1.0\n3.228354 -5.591674 -0.000000\n3.228354 5.591674 -0.000000\n-0.000000 -0.000000 4.866307\nSc Hg\n2 6\ndirect\n0.666666 0.333332 0.250000 Sc\n0.333332 0.666666 0.750001 Sc\n0.170054 0.340108 0.250000 Hg\n0.829945 0.659891 0.750001 Hg\n0.829945 0.170054 0.750001 Hg\n0.659891 0.829945 0.250000 Hg\n0.170054 0.829945 0.250000 Hg\n0.340108 0.170054 0.750001 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Hg"
],
"chemical_system": "Hg-Sc",
"density": 12.224943523104201,
"density_atomic": 0.045534177207747585,
"volume": 175.69220507708678,
"volume_molar": 13.225539867612541,
"formula_full": "Sc2 Hg6",
"formula_reduced": "ScHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-16555",
"created_at": "2022-09-04T14:37:43.390663Z",
"updated_at": "2022-09-04T14:37:43.390694Z",
"structure_string": "Sc1 Hg1\n1.0\n3.501785 -0.000000 -0.000000\n0.000000 3.501785 0.000000\n0.000000 0.000000 3.501785\nSc Hg\n1 1\ndirect\n0.499999 0.499999 0.499999 Sc\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Hg"
],
"chemical_system": "Hg-Sc",
"density": 9.4954023386503,
"density_atomic": 0.046575932794145965,
"volume": 42.94063221104991,
"volume_molar": 12.92972657491663,
"formula_full": "Sc1 Hg1",
"formula_reduced": "ScHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.5562367499999998,
"spacegroup": 221
},
{
"id": "jvasp-60631",
"created_at": "2022-09-04T14:36:07.220493Z",
"updated_at": "2022-09-04T14:36:07.220517Z",
"structure_string": "Sc2 H2 Cl2\n1.0\n3.408631 -0.009851 8.344474\n1.630598 2.993328 8.344474\n-0.016639 -0.009851 9.013809\nSc H Cl\n2 2 2\ndirect\n0.881390 0.881392 0.881390 Sc\n0.118609 0.118609 0.118609 Sc\n0.805255 0.805257 0.805255 H\n0.194744 0.194744 0.194744 H\n0.390836 0.390837 0.390836 Cl\n0.609163 0.609165 0.609163 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"H",
"Cl"
],
"chemical_system": "Cl-H-Sc",
"density": 2.9175656671594963,
"density_atomic": 0.06474086395620997,
"volume": 92.67716915329298,
"volume_molar": 9.301915964657672,
"formula_full": "Sc2 H2 Cl2",
"formula_reduced": "ScHCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0777764391666664,
"spacegroup": 166
}
]
}