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=68",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=66",
"results": [
{
"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-95591",
"created_at": "2022-09-04T14:36:14.707614Z",
"updated_at": "2022-09-04T14:36:14.707636Z",
"structure_string": "K2 H2 I4 F24\n1.0\n-4.937769 4.937769 5.203949\n4.937769 -4.937769 5.203949\n4.937769 4.937769 -5.203949\nK H I F\n2 2 4 24\ndirect\n0.250000 0.250000 0.000000 K\n0.750000 0.750000 0.000000 K\n0.250000 0.750000 0.500000 H\n0.750000 0.250000 0.500000 H\n0.656816 0.156816 0.813630 I\n0.343184 0.843184 0.186370 I\n0.156816 0.343184 0.500000 I\n0.843184 0.656816 0.500000 I\n0.148879 0.289747 0.697003 F\n0.648879 0.951876 0.859132 F\n0.092745 0.789747 0.140868 F\n0.548124 0.851122 0.140868 F\n0.407256 0.548124 0.697003 F\n0.048124 0.907256 0.697003 F\n0.210253 0.351121 0.302998 F\n0.592745 0.451876 0.302998 F\n0.851122 0.710253 0.302998 F\n0.710253 0.407256 0.859132 F\n0.789747 0.648879 0.697003 F\n0.708215 0.791786 0.500000 F\n0.289747 0.592745 0.140868 F\n0.451876 0.148879 0.859132 F\n0.351121 0.048124 0.140868 F\n0.291786 0.208214 0.500000 F\n0.208214 0.708215 0.916429 F\n0.791786 0.291786 0.083571 F\n0.861225 0.361225 0.500000 F\n0.361225 0.861225 0.500000 F\n0.138775 0.638775 0.500000 F\n0.638775 0.138775 0.500000 F\n0.951876 0.092745 0.302998 F\n0.907256 0.210253 0.859132 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"H",
"I",
"F"
],
"chemical_system": "F-H-I-K",
"density": 3.4151400335713475,
"density_atomic": 0.06305149923906024,
"volume": 507.52163526947635,
"volume_molar": 9.551146019806772,
"formula_full": "K2 H2 I4 F24",
"formula_reduced": "KH(IF6)2",
"formula_anonymous": "ABC2D12",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-1390",
"created_at": "2022-09-04T14:35:42.788549Z",
"updated_at": "2022-09-04T14:35:42.788584Z",
"structure_string": "Sr1 O1\n1.0\n3.168679 0.000000 1.829438\n1.056226 2.987459 1.829438\n0.000000 0.000000 3.658876\nSr O\n1 1\ndirect\n0.500001 0.500000 0.500001 Sr\n0.000000 0.000000 0.000000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"O"
],
"chemical_system": "O-Sr",
"density": 4.967779144459423,
"density_atomic": 0.057743367135624384,
"volume": 34.63601274415661,
"volume_molar": 10.429147205523247,
"formula_full": "Sr1 O1",
"formula_reduced": "SrO",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-65721",
"created_at": "2022-09-04T14:36:12.894010Z",
"updated_at": "2022-09-04T14:36:12.894038Z",
"structure_string": "Ba2 Tl1 Zn1\n1.0\n-0.000000 4.175669 4.175669\n4.175669 0.000000 4.175669\n4.175669 4.175669 0.000000\nBa Tl Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Zn"
],
"chemical_system": "Ba-Tl-Zn",
"density": 6.208632534839686,
"density_atomic": 0.02746956610034167,
"volume": 145.6156964907519,
"volume_molar": 21.92295552831865,
"formula_full": "Ba2 Tl1 Zn1",
"formula_reduced": "Ba2TlZn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"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-94056",
"created_at": "2022-09-04T14:35:54.364433Z",
"updated_at": "2022-09-04T14:35:54.364451Z",
"structure_string": "Na1 Mg6 V1\n1.0\n6.337131 0.000355 0.000000\n-3.168259 5.488294 0.000000\n0.000000 0.000000 5.109653\nNa Mg V\n1 6 1\ndirect\n0.416668 0.083331 0.750000 Na\n0.077322 0.913655 0.250000 Mg\n0.586343 0.422677 0.250000 Mg\n0.586353 0.913645 0.250000 Mg\n0.402768 0.576393 0.750000 Mg\n0.923605 0.097230 0.750000 Mg\n0.923584 0.576414 0.750000 Mg\n0.083352 0.416648 0.250000 V\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"V"
],
"chemical_system": "Mg-Na-V",
"density": 2.0533583444715955,
"density_atomic": 0.04501471265037757,
"volume": 177.71967272422205,
"volume_molar": 13.378161062079972,
"formula_full": "Na1 Mg6 V1",
"formula_reduced": "NaMg6V",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-106220",
"created_at": "2022-09-04T14:36:38.509534Z",
"updated_at": "2022-09-04T14:36:38.509545Z",
"structure_string": "Na2 Pr1 Cu1 Cl6\n1.0\n6.380493 -0.000000 3.683779\n2.126831 6.015586 3.683779\n0.000000 0.000000 7.367558\nNa Pr Cu Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Cu\n0.738918 0.261082 0.261082 Cl\n0.261082 0.261082 0.738918 Cl\n0.261081 0.738919 0.738918 Cl\n0.261081 0.738919 0.261082 Cl\n0.738918 0.261082 0.738919 Cl\n0.738918 0.738919 0.261082 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Pr",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Na-Pr",
"density": 2.7196695599549088,
"density_atomic": 0.035362605820613,
"volume": 282.78459033047164,
"volume_molar": 17.02968607729035,
"formula_full": "Na2 Pr1 Cu1 Cl6",
"formula_reduced": "Na2PrCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-50419",
"created_at": "2022-09-04T14:36:41.174761Z",
"updated_at": "2022-09-04T14:36:41.174789Z",
"structure_string": "Ba2 Y2 I10\n1.0\n3.195073 10.821733 0.009108\n-3.195073 10.821733 -0.009108\n-0.429292 0.000000 7.711799\nBa Y I\n2 2 10\ndirect\n0.671321 0.671321 0.750000 Ba\n0.328679 0.328679 0.250000 Ba\n0.922007 0.922007 0.750000 Y\n0.077993 0.077993 0.250000 Y\n0.277642 0.785050 0.597002 I\n0.214949 0.722357 0.097002 I\n0.195386 0.184693 0.994972 I\n0.367509 0.367509 0.750000 I\n0.184693 0.195386 0.505028 I\n0.815307 0.804614 0.494972 I\n0.632491 0.632491 0.250000 I\n0.804614 0.815307 0.005028 I\n0.785051 0.277642 0.902998 I\n0.722358 0.214949 0.402998 I\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Y",
"I"
],
"chemical_system": "Ba-I-Y",
"density": 5.359527948675791,
"density_atomic": 0.026247976437044417,
"volume": 533.374450163002,
"volume_molar": 22.943257261922877,
"formula_full": "Ba2 Y2 I10",
"formula_reduced": "BaYI5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-104537",
"created_at": "2022-09-04T14:36:41.624260Z",
"updated_at": "2022-09-04T14:36:41.624287Z",
"structure_string": "K1 Rb2 Tl1 Cl6\n1.0\n6.724581 -0.000000 3.882439\n2.241527 6.339996 3.882439\n-0.000000 -0.000000 7.764877\nK Rb Tl Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.763317 0.236683 0.236683 Cl\n0.236683 0.236683 0.763317 Cl\n0.236683 0.763317 0.763317 Cl\n0.236683 0.763317 0.236683 Cl\n0.763317 0.236683 0.763317 Cl\n0.763317 0.763317 0.236683 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Tl",
"Cl"
],
"chemical_system": "Cl-K-Rb-Tl",
"density": 3.145730270030143,
"density_atomic": 0.0302072511408401,
"volume": 331.0463422631672,
"volume_molar": 19.9360767119193,
"formula_full": "K1 Rb2 Tl1 Cl6",
"formula_reduced": "KRb2TlCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100036",
"created_at": "2022-09-04T14:36:37.526932Z",
"updated_at": "2022-09-04T14:36:37.526959Z",
"structure_string": "Ba1 Cd3 Ga1\n1.0\n4.551755 0.084831 -5.039247\n-0.611787 4.511253 -5.039247\n-0.072721 -0.084831 6.790229\nBa Cd Ga\n1 3 1\ndirect\n0.003467 0.003467 -0.000000 Ba\n0.743990 0.243989 0.500000 Cd\n0.243989 0.743989 0.499999 Cd\n0.388327 0.388326 -0.000000 Cd\n0.620227 0.620227 -0.000001 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Ga"
],
"chemical_system": "Ba-Cd-Ga",
"density": 6.647843912548046,
"density_atomic": 0.03677705514016462,
"volume": 135.95433296505152,
"volume_molar": 16.374722600948967,
"formula_full": "Ba1 Cd3 Ga1",
"formula_reduced": "BaCd3Ga",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 107
},
{
"id": "jvasp-102864",
"created_at": "2022-09-04T14:36:33.844501Z",
"updated_at": "2022-09-04T14:36:33.844521Z",
"structure_string": "K2 Li1 In1 F6\n1.0\n5.062035 0.000000 2.922567\n1.687345 4.772532 2.922567\n0.000000 0.000000 5.845135\nK Li In F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 In\n0.746708 0.253291 0.253292 F\n0.253290 0.253291 0.746709 F\n0.253290 0.746709 0.746710 F\n0.253290 0.746709 0.253292 F\n0.746708 0.253291 0.746709 F\n0.746708 0.746709 0.253292 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"In",
"F"
],
"chemical_system": "F-In-K-Li",
"density": 3.6917776756398237,
"density_atomic": 0.0708160112418832,
"volume": 141.21100333995696,
"volume_molar": 8.503925389740509,
"formula_full": "K2 Li1 In1 F6",
"formula_reduced": "K2LiInF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-82020",
"created_at": "2022-09-04T14:37:13.532014Z",
"updated_at": "2022-09-04T14:37:13.532041Z",
"structure_string": "K1 Ba1 Au2\n1.0\n-10.518711 -0.000000 -6.072980\n-7.448699 0.380112 0.755565\n-6.168324 4.001562 -1.462111\nK Ba Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 -0.000000 0.000000 Ba\n0.749422 -0.000000 0.000000 Au\n0.250578 -0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Au"
],
"chemical_system": "Au-Ba-K",
"density": 4.633042036412186,
"density_atomic": 0.019567226109777066,
"volume": 204.42345673111726,
"volume_molar": 30.776670777013937,
"formula_full": "K1 Ba1 Au2",
"formula_reduced": "KBaAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
}
]
}