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=-energy_above_hull&page=3819",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3817",
"results": [
{
"id": "jvasp-78470",
"created_at": "2022-09-04T14:37:10.162108Z",
"updated_at": "2022-09-04T14:37:10.162129Z",
"structure_string": "Rb1 Se1\n1.0\n-3.471758 -3.471758 0.000000\n-3.471758 0.000000 -3.471758\n-0.000000 -3.471758 -3.471758\nRb Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Se"
],
"chemical_system": "Rb-Se",
"density": 3.2624661410301963,
"density_atomic": 0.023897455701295582,
"volume": 83.6909177696089,
"volume_molar": 25.1999243571085,
"formula_full": "Rb1 Se1",
"formula_reduced": "RbSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2702508416666667,
"spacegroup": 225
},
{
"id": "jvasp-7739",
"created_at": "2022-09-04T14:37:04.962377Z",
"updated_at": "2022-09-04T14:37:04.962401Z",
"structure_string": "Hg1\n1.0\n2.986643 -0.196328 0.787740\n0.556895 2.940825 0.787740\n-0.253488 -0.196328 3.078362\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.738093148755862,
"density_atomic": 0.03524026582592744,
"volume": 28.376630441427224,
"volume_molar": 17.08880628127757,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy_above_hull": 0.2702146000000001,
"spacegroup": 166
},
{
"id": "jvasp-25089",
"created_at": "2022-09-04T14:37:39.262055Z",
"updated_at": "2022-09-04T14:37:39.262066Z",
"structure_string": "Hg1\n1.0\n2.986654 -0.196343 0.787723\n0.556883 2.940839 0.787723\n-0.253507 -0.196343 3.078368\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.737942788375493,
"density_atomic": 0.03523981441191097,
"volume": 28.376993939616277,
"volume_molar": 17.089025185003617,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy_above_hull": 0.2702146000000001,
"spacegroup": 166
},
{
"id": "jvasp-62522",
"created_at": "2022-09-04T14:36:02.948488Z",
"updated_at": "2022-09-04T14:36:02.948519Z",
"structure_string": "K4 As8 F28\n1.0\n0.000000 8.548832 -0.002756\n7.286554 0.000000 0.000000\n0.000000 -3.682463 -10.154914\nK As F\n4 8 28\ndirect\n0.228349 0.843889 0.078263 K\n0.271651 0.343889 0.921737 K\n0.771651 0.156111 0.921737 K\n0.728349 0.656110 0.078263 K\n0.665774 0.185325 0.232790 As\n0.834226 0.685325 0.767210 As\n0.334226 0.814674 0.767210 As\n0.165774 0.314674 0.232790 As\n0.872695 0.169927 0.595149 As\n0.372695 0.330072 0.595149 As\n0.127305 0.830072 0.404851 As\n0.627305 0.669927 0.404851 As\n0.790150 0.504065 0.864663 F\n0.596811 0.325319 0.070272 F\n0.209850 0.495934 0.135337 F\n0.290150 0.995934 0.864663 F\n0.709850 0.004066 0.135337 F\n0.295843 0.002215 0.620757 F\n0.551468 0.874254 0.812902 F\n0.051468 0.625745 0.812902 F\n0.448532 0.125745 0.187098 F\n0.204157 0.502215 0.379243 F\n0.903190 0.825319 0.929728 F\n0.948532 0.374255 0.187098 F\n0.403190 0.674680 0.929728 F\n0.814700 0.616630 0.372940 F\n0.522245 0.706880 0.231097 F\n0.977755 0.206881 0.768904 F\n0.477755 0.293119 0.768903 F\n0.022245 0.793119 0.231096 F\n0.795843 0.497785 0.620757 F\n0.685300 0.116630 0.627060 F\n0.185300 0.383369 0.627060 F\n0.314700 0.883369 0.372940 F\n0.555097 0.432367 0.381010 F\n0.944904 0.932366 0.618990 F\n0.444904 0.567633 0.618990 F\n0.055097 0.067633 0.381010 F\n0.096811 0.174680 0.070272 F\n0.704157 -0.002215 0.379243 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
"K",
"As",
"F"
],
"chemical_system": "As-F-K",
"density": 3.3799866492657706,
"density_atomic": 0.0632272077513174,
"volume": 632.6390397837323,
"volume_molar": 9.524603369622188,
"formula_full": "K4 As8 F28",
"formula_reduced": "KAs2F7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.2701422032500002,
"spacegroup": 14
},
{
"id": "jvasp-15245",
"created_at": "2022-09-04T14:36:52.629819Z",
"updated_at": "2022-09-04T14:36:52.629835Z",
"structure_string": "Lu3 Ag3 Sn3\n1.0\n3.657674 -6.335277 -0.000000\n3.657674 6.335277 0.000000\n0.000000 -0.000000 4.396726\nLu Ag Sn\n3 3 3\ndirect\n-0.000000 0.427475 0.000000 Lu\n0.572524 0.572524 0.000000 Lu\n0.427475 -0.000000 0.000000 Lu\n0.249571 0.249571 0.500000 Ag\n0.750429 -0.000001 0.500000 Ag\n-0.000001 0.750429 0.500000 Ag\n0.333332 0.666667 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.666667 0.333332 0.500000 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Lu",
"Ag",
"Sn"
],
"chemical_system": "Ag-Lu-Sn",
"density": 9.816909560270854,
"density_atomic": 0.044168485555726465,
"volume": 203.76519336722302,
"volume_molar": 13.634474182733726,
"formula_full": "Lu3 Ag3 Sn3",
"formula_reduced": "LuAgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2700782366666667,
"spacegroup": 189
},
{
"id": "jvasp-114747",
"created_at": "2022-09-04T14:38:41.893261Z",
"updated_at": "2022-09-04T14:38:41.893288Z",
"structure_string": "Cd1 F2\n1.0\n3.487733 0.000000 0.000000\n0.000000 3.357818 0.000000\n0.000000 0.000000 4.635259\nCd F\n1 2\ndirect\n0.466667 0.000000 0.000000 Cd\n-0.033334 0.000000 0.739308 F\n-0.033334 0.000000 0.260693 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"F"
],
"chemical_system": "Cd-F",
"density": 4.600924277234323,
"density_atomic": 0.05526457893979652,
"volume": 54.28431841067865,
"volume_molar": 10.896926884325545,
"formula_full": "Cd1 F2",
"formula_reduced": "CdF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2699899999999999,
"spacegroup": 47
},
{
"id": "jvasp-66809",
"created_at": "2022-09-04T14:36:02.574062Z",
"updated_at": "2022-09-04T14:36:02.574087Z",
"structure_string": "Mg1 Be1 In1\n1.0\n-1.513238 1.513238 6.081135\n1.513238 -1.513238 6.081135\n1.513238 1.513238 -6.081135\nMg Be In\n1 1 1\ndirect\n0.642245 0.642245 0.000000 Mg\n0.004746 0.004746 0.000000 Be\n0.353007 0.353007 0.000000 In\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Be",
"In"
],
"chemical_system": "Be-In-Mg",
"density": 4.41619457077697,
"density_atomic": 0.05385947817168243,
"volume": 55.700502526912764,
"volume_molar": 11.181208887326813,
"formula_full": "Mg1 Be1 In1",
"formula_reduced": "MgBeIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2699076783333332,
"spacegroup": 107
},
{
"id": "jvasp-98974",
"created_at": "2022-09-04T14:36:22.539058Z",
"updated_at": "2022-09-04T14:36:22.539080Z",
"structure_string": "K12 Co2 Se8\n1.0\n10.121915 0.000000 -0.000000\n-5.060958 8.765836 0.000000\n0.000000 0.000000 7.821748\nK Co Se\n12 2 8\ndirect\n0.146416 0.853584 0.547690 K\n0.473356 0.526644 0.864979 K\n0.526643 0.053288 0.364979 K\n0.473356 0.946713 0.864979 K\n0.053288 0.526644 0.864979 K\n0.526643 0.473357 0.364979 K\n0.946712 0.473357 0.364979 K\n0.707167 0.853584 0.547690 K\n0.146416 0.292833 0.547690 K\n0.853583 0.707168 0.047690 K\n0.292833 0.146416 0.047690 K\n0.853583 0.146416 0.047690 K\n0.333333 0.666667 0.250372 Co\n0.666667 0.333333 0.750372 Co\n0.603348 0.801674 0.151339 Se\n0.333333 0.666667 0.567307 Se\n0.666667 0.333333 0.067307 Se\n0.198326 0.801674 0.151339 Se\n0.396652 0.198327 0.651339 Se\n0.801673 0.603348 0.651339 Se\n0.198326 0.396652 0.151339 Se\n0.801673 0.198327 0.651339 Se\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"Co",
"Se"
],
"chemical_system": "Co-K-Se",
"density": 2.916052397069623,
"density_atomic": 0.03170026070459543,
"volume": 694.0006016042249,
"volume_molar": 18.9971332290242,
"formula_full": "K12 Co2 Se8",
"formula_reduced": "K6CoSe4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.269578396969697,
"spacegroup": 186
},
{
"id": "jvasp-7698",
"created_at": "2022-09-04T14:37:06.406484Z",
"updated_at": "2022-09-04T14:37:06.406500Z",
"structure_string": "Nd1 Au1\n1.0\n3.701216 0.000000 0.000000\n0.000000 3.701216 -0.000000\n0.000000 0.000000 3.701216\nNd Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"Au"
],
"chemical_system": "Au-Nd",
"density": 11.174696432518996,
"density_atomic": 0.039445430744827016,
"volume": 50.702957534879644,
"volume_molar": 15.267017361167392,
"formula_full": "Nd1 Au1",
"formula_reduced": "NdAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.269469535,
"spacegroup": 221
},
{
"id": "jvasp-15876",
"created_at": "2022-09-04T14:37:41.436412Z",
"updated_at": "2022-09-04T14:37:41.436438Z",
"structure_string": "K1 Cu4 Se3\n1.0\n4.009024 -0.000000 -0.000000\n0.000000 4.009024 0.000000\n0.000000 0.000000 9.846247\nK Cu Se\n1 4 3\ndirect\n0.499999 0.499999 0.500000 K\n0.499999 0.000000 0.164951 Cu\n0.000000 0.499999 0.835049 Cu\n0.499999 0.000000 0.835049 Cu\n0.000000 0.499999 0.164951 Cu\n0.000000 0.000000 0.306601 Se\n0.000000 0.000000 0.693399 Se\n0.499999 0.499999 0.000000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Cu",
"Se"
],
"chemical_system": "Cu-K-Se",
"density": 5.5630107692100115,
"density_atomic": 0.050552419759995575,
"volume": 158.25157406868115,
"volume_molar": 11.912665681664548,
"formula_full": "K1 Cu4 Se3",
"formula_reduced": "KCu4Se3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.2693760104166666,
"spacegroup": 123
},
{
"id": "jvasp-116895",
"created_at": "2022-09-04T14:38:45.013333Z",
"updated_at": "2022-09-04T14:38:45.013367Z",
"structure_string": "Li4 Fe2 F10\n1.0\n5.049605 -0.170681 -0.085306\n-2.578332 4.496334 -1.673614\n0.292723 0.130131 7.144664\nLi Fe F\n4 2 10\ndirect\n0.497919 0.997538 0.499730 Li\n0.147834 0.301273 0.190431 Li\n0.848160 0.693870 0.809002 Li\n0.497976 -0.002480 -0.000282 Li\n0.897896 0.784081 0.293031 Fe\n0.097980 0.210999 0.706385 Fe\n0.562921 0.406722 0.160941 F\n0.867653 0.364264 0.650040 F\n0.239843 0.179420 0.450274 F\n0.128183 0.630789 0.349403 F\n0.293611 0.015771 0.750058 F\n0.756005 0.815660 0.549133 F\n0.924903 0.173207 0.935362 F\n0.071049 0.821885 0.064084 F\n0.433007 0.588348 0.838453 F\n0.702245 0.979284 0.249346 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.41055372272773,
"density_atomic": 0.0997520995142719,
"volume": 160.3976264951779,
"volume_molar": 6.037106777024167,
"formula_full": "Li4 Fe2 F10",
"formula_reduced": "Li2FeF5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.2693458640624999,
"spacegroup": 2
},
{
"id": "jvasp-22579",
"created_at": "2022-09-04T14:37:04.158967Z",
"updated_at": "2022-09-04T14:37:04.158992Z",
"structure_string": "K2 Mn2 F6\n1.0\n4.902699 0.000000 -2.806885\n-1.606994 4.631849 -2.806885\n-0.020760 -0.029176 5.648877\nK Mn F\n2 2 6\ndirect\n0.750000 0.250000 0.500001 K\n0.250001 0.750000 0.500001 K\n0.500001 0.500000 0.000001 Mn\n0.000000 0.000000 0.000000 Mn\n0.750001 0.750000 0.500002 F\n0.250000 0.250000 0.500001 F\n0.750807 0.250807 0.000001 F\n0.749194 0.750807 0.000002 F\n0.249194 0.749194 0.000001 F\n0.250807 0.249194 0.000001 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Mn",
"F"
],
"chemical_system": "F-K-Mn",
"density": 3.934796014277557,
"density_atomic": 0.07844683692362395,
"volume": 127.47486568178685,
"volume_molar": 7.676715844978139,
"formula_full": "K2 Mn2 F6",
"formula_reduced": "KMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2692897241379309,
"spacegroup": 221
}
]
}