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=75",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=73",
"results": [
{
"id": "jvasp-64725",
"created_at": "2022-09-04T14:35:50.736100Z",
"updated_at": "2022-09-04T14:35:50.736129Z",
"structure_string": "Ba4 Tl1 Cd1\n1.0\n-0.000000 5.083711 5.083711\n5.083711 -0.000000 5.083711\n5.083711 5.083711 0.000000\nBa Tl Cd\n4 1 1\ndirect\n0.124023 0.625326 0.625326 Ba\n0.625326 0.625326 0.625326 Ba\n0.625326 0.124023 0.625326 Ba\n0.625326 0.625326 0.124023 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Cd"
],
"chemical_system": "Ba-Cd-Tl",
"density": 5.473255631407681,
"density_atomic": 0.022833826331501664,
"volume": 262.76804916057233,
"volume_molar": 26.373769654592778,
"formula_full": "Ba4 Tl1 Cd1",
"formula_reduced": "Ba4TlCd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-93292",
"created_at": "2022-09-04T14:36:01.366635Z",
"updated_at": "2022-09-04T14:36:01.366650Z",
"structure_string": "Mg5 Hg1\n1.0\n-4.699214 2.713091 0.000000\n0.000000 -5.426184 0.000000\n-1.566406 2.713091 5.135169\nMg Hg\n5 1\ndirect\n0.996443 -0.000000 -0.000000 Mg\n0.670221 0.336889 -0.000000 Mg\n0.333332 0.663113 -0.000000 Mg\n0.500662 0.832669 0.498015 Mg\n0.166004 0.167327 0.501984 Mg\n0.833333 0.499998 0.499998 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 4.084938911388898,
"density_atomic": 0.045822287932359006,
"volume": 130.94064636966525,
"volume_molar": 13.14238339405845,
"formula_full": "Mg5 Hg1",
"formula_reduced": "Mg5Hg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 155
},
{
"id": "jvasp-108156",
"created_at": "2022-09-04T14:36:07.929501Z",
"updated_at": "2022-09-04T14:36:07.929524Z",
"structure_string": "Ba1 Sn1 F4\n1.0\n4.101096 -0.007918 6.074025\n1.852711 3.658759 6.074025\n-0.012912 -0.007918 7.328888\nBa Sn F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500000 0.499999 Sn\n0.620618 0.620617 0.620616 F\n0.130542 0.130541 0.130541 F\n0.869460 0.869458 0.869457 F\n0.379383 0.379382 0.379382 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"F"
],
"chemical_system": "Ba-F-Sn",
"density": 4.990828137258838,
"density_atomic": 0.054312105697371736,
"volume": 110.4726086930257,
"volume_molar": 11.088026661230007,
"formula_full": "Ba1 Sn1 F4",
"formula_reduced": "BaSnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-64724",
"created_at": "2022-09-04T14:35:47.989652Z",
"updated_at": "2022-09-04T14:35:47.989677Z",
"structure_string": "Ba4 Ga1 Cu1\n1.0\n0.000000 4.961917 4.961917\n4.961917 0.000000 4.961917\n4.961917 4.961917 0.000000\nBa Ga Cu\n4 1 1\ndirect\n0.124271 0.625244 0.625244 Ba\n0.625244 0.625244 0.625244 Ba\n0.625244 0.124271 0.625244 Ba\n0.625244 0.625244 0.124271 Ba\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Cu"
],
"chemical_system": "Ba-Cu-Ga",
"density": 4.638977498287351,
"density_atomic": 0.024556856284474893,
"volume": 244.3309489819861,
"volume_molar": 24.52325611323165,
"formula_full": "Ba4 Ga1 Cu1",
"formula_reduced": "Ba4GaCu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-3771",
"created_at": "2022-09-04T14:35:50.750883Z",
"updated_at": "2022-09-04T14:35:50.750911Z",
"structure_string": "Sn3 I6\n1.0\n4.473755 0.000000 0.000000\n-2.236878 7.142410 -0.276027\n0.000000 -0.038198 11.011911\nSn I\n3 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.265541 0.531082 0.307452 Sn\n0.734459 0.468918 0.692547 Sn\n0.078352 0.156705 0.730805 I\n0.921648 0.843295 0.269195 I\n0.361771 0.723542 0.561604 I\n0.638230 0.276458 0.438396 I\n0.351249 0.702498 0.921866 I\n0.648752 0.297502 0.078133 I\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Sn",
"I"
],
"chemical_system": "I-Sn",
"density": 5.274693975814695,
"density_atomic": 0.025581209051484,
"volume": 351.820743964324,
"volume_molar": 23.54126713823422,
"formula_full": "Sn3 I6",
"formula_reduced": "SnI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-85447",
"created_at": "2022-09-04T14:35:45.281690Z",
"updated_at": "2022-09-04T14:35:45.281723Z",
"structure_string": "Ba1 Ni1 F6\n1.0\n4.805402 -0.031670 -0.704612\n-0.810914 4.736593 -0.704612\n-0.026888 -0.031670 4.856712\nBa Ni F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ni\n0.733048 0.733047 0.073681 F\n0.733047 0.073681 0.733048 F\n0.266952 0.926319 0.266952 F\n0.266952 0.266952 0.926319 F\n0.926319 0.266952 0.266952 F\n0.073681 0.733047 0.733048 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"F"
],
"chemical_system": "Ba-F-Ni",
"density": 4.671186060199112,
"density_atomic": 0.07259240836299223,
"volume": 110.20436131553416,
"volume_molar": 8.295827202600568,
"formula_full": "Ba1 Ni1 F6",
"formula_reduced": "BaNiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-105799",
"created_at": "2022-09-04T14:35:55.026920Z",
"updated_at": "2022-09-04T14:35:55.026947Z",
"structure_string": "Li1 Ce1 Zn2\n1.0\n4.193476 0.000000 2.421104\n1.397825 3.953646 2.421104\n0.000000 0.000000 4.842209\nLi Ce Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500000 0.499999 Ce\n0.250000 0.250000 0.249999 Zn\n0.750001 0.750001 0.749998 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ce",
"Zn"
],
"chemical_system": "Ce-Li-Zn",
"density": 5.747554522180087,
"density_atomic": 0.049824679975246984,
"volume": 80.28149908814686,
"volume_molar": 12.086662198315802,
"formula_full": "Li1 Ce1 Zn2",
"formula_reduced": "LiCeZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-70396",
"created_at": "2022-09-04T14:35:56.571262Z",
"updated_at": "2022-09-04T14:35:56.571287Z",
"structure_string": "K2 Ca2 Be1\n1.0\n-2.376390 2.376390 10.792089\n2.376390 -2.376390 10.792089\n2.376390 2.376390 -10.792089\nK Ca Be\n2 2 1\ndirect\n0.584700 0.584700 0.000000 K\n0.415300 0.415300 0.000000 K\n0.750000 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.000000 0.000000 0.000000 Be\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Ca",
"Be"
],
"chemical_system": "Be-Ca-K",
"density": 1.1400193733645927,
"density_atomic": 0.020510160667795367,
"volume": 243.78161053857062,
"volume_molar": 29.361743467255437,
"formula_full": "K2 Ca2 Be1",
"formula_reduced": "K2Ca2Be",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-97801",
"created_at": "2022-09-04T14:35:46.104116Z",
"updated_at": "2022-09-04T14:35:46.104138Z",
"structure_string": "Yb4 In2 Cu4\n1.0\n3.717943 -0.000000 0.000000\n0.000000 7.429306 0.000000\n-0.000000 -0.000000 7.429306\nYb In Cu\n4 2 4\ndirect\n0.500000 0.177105 0.677106 Yb\n0.500000 0.322895 0.177105 Yb\n0.500000 0.677106 0.822895 Yb\n0.500000 0.822895 0.322895 Yb\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.381983 0.881984 Cu\n0.000000 0.118017 0.381983 Cu\n0.000000 0.881984 0.618017 Cu\n0.000000 0.618017 0.118017 Cu\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"In",
"Cu"
],
"chemical_system": "Cu-In-Yb",
"density": 9.515898757665687,
"density_atomic": 0.04873049014130823,
"volume": 205.2103307601071,
"volume_molar": 12.358054972435228,
"formula_full": "Yb4 In2 Cu4",
"formula_reduced": "Yb2InCu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-90460",
"created_at": "2022-09-04T14:35:49.278875Z",
"updated_at": "2022-09-04T14:35:49.278895Z",
"structure_string": "Sr1 Hf1 Mg6\n1.0\n6.359079 -1.702624 0.000000\n-4.654055 8.061061 0.000000\n0.000000 0.000000 4.664325\nSr Hf Mg\n1 1 6\ndirect\n0.249983 0.374991 0.250000 Sr\n0.250020 0.875008 0.250000 Hf\n0.750030 0.375035 0.250000 Mg\n0.750030 0.874994 0.250000 Mg\n0.249997 0.103966 0.750001 Mg\n0.249998 0.646033 0.750001 Mg\n0.707950 0.103975 0.750001 Mg\n0.791998 0.646000 0.750001 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg-Sr",
"density": 3.384053642472416,
"density_atomic": 0.03957711779657666,
"volume": 202.13700353621968,
"volume_molar": 15.21621860124666,
"formula_full": "Sr1 Hf1 Mg6",
"formula_reduced": "SrHfMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-61646",
"created_at": "2022-09-04T14:35:41.293429Z",
"updated_at": "2022-09-04T14:35:41.293456Z",
"structure_string": "K3 Al1 F6\n1.0\n0.000000 4.297608 4.297608\n4.297608 -0.000000 4.297608\n4.297608 4.297608 -0.000000\nK Al F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Al\n0.287435 0.712565 0.712565 F\n0.712565 0.287435 0.287435 F\n0.712565 0.287435 0.712565 F\n0.287435 0.712565 0.287435 F\n0.287435 0.287435 0.712565 F\n0.712565 0.712565 0.287435 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Al",
"F"
],
"chemical_system": "Al-F-K",
"density": 2.7015149935959455,
"density_atomic": 0.06299261043748008,
"volume": 158.7487791115588,
"volume_molar": 9.56007493287955,
"formula_full": "K3 Al1 F6",
"formula_reduced": "K3AlF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-78888",
"created_at": "2022-09-04T14:37:12.784662Z",
"updated_at": "2022-09-04T14:37:12.784681Z",
"structure_string": "Th1 Cd2\n1.0\n5.075016 0.000000 0.000000\n-2.537508 4.395093 0.000000\n0.000000 0.000000 3.445367\nTh Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.333333 0.666667 0.500000 Cd\n0.666667 0.333333 0.500000 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Cd"
],
"chemical_system": "Cd-Th",
"density": 9.871685601673997,
"density_atomic": 0.039037345649534545,
"volume": 76.84948733279897,
"volume_molar": 15.426614335065079,
"formula_full": "Th1 Cd2",
"formula_reduced": "ThCd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 191
}
]
}