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=67",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=65",
"results": [
{
"id": "jvasp-105613",
"created_at": "2022-09-04T14:35:42.747380Z",
"updated_at": "2022-09-04T14:35:42.747405Z",
"structure_string": "K2 Na1 Au1 Cl6\n1.0\n6.290325 -0.000000 3.631720\n2.096775 5.930574 3.631720\n0.000000 0.000000 7.263441\nK Na Au Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.757401 0.242599 0.242599 Cl\n0.242599 0.242599 0.757401 Cl\n0.242599 0.757401 0.757401 Cl\n0.242599 0.757401 0.242599 Cl\n0.757401 0.242599 0.757401 Cl\n0.757401 0.757401 0.242599 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-K-Na",
"density": 3.1307476863093004,
"density_atomic": 0.03690521782466503,
"volume": 270.96439445255504,
"volume_molar": 16.317857243414498,
"formula_full": "K2 Na1 Au1 Cl6",
"formula_reduced": "K2NaAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-90637",
"created_at": "2022-09-04T14:35:42.923581Z",
"updated_at": "2022-09-04T14:35:42.923603Z",
"structure_string": "Y1 Mg6 Cu1\n1.0\n6.679825 -0.284874 0.000000\n-3.586621 5.642461 0.000000\n0.000000 0.000000 4.874415\nY Mg Cu\n1 6 1\ndirect\n0.195920 0.304080 0.250000 Y\n0.176335 0.823520 0.250000 Mg\n0.676480 0.323666 0.250000 Mg\n0.655033 0.844967 0.250000 Mg\n0.314115 0.682615 0.749999 Mg\n0.817385 0.185886 0.749999 Mg\n0.810465 0.689536 0.749999 Mg\n0.354265 0.145735 0.749999 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg-Y",
"density": 2.7711200504568447,
"density_atomic": 0.04475786914282976,
"volume": 178.7395189541012,
"volume_molar": 13.454931781453567,
"formula_full": "Y1 Mg6 Cu1",
"formula_reduced": "YMg6Cu",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-88080",
"created_at": "2022-09-04T14:35:44.842419Z",
"updated_at": "2022-09-04T14:35:44.842451Z",
"structure_string": "Ba8 Br12 O2\n1.0\n10.412649 0.000000 0.000000\n-5.206325 9.017619 -0.000000\n0.000000 -0.000000 7.902812\nBa Br O\n8 12 2\ndirect\n0.198366 0.801634 -0.000917 Ba\n0.333333 0.666667 0.420931 Ba\n0.603268 0.801634 -0.000917 Ba\n0.801634 0.198366 0.499083 Ba\n0.396732 0.198366 0.499083 Ba\n0.801634 0.603268 0.499083 Ba\n0.666667 0.333333 0.920930 Ba\n0.198366 0.396732 -0.000917 Ba\n0.940378 0.470189 0.207818 Br\n0.470189 0.529811 0.707818 Br\n0.529811 0.059622 0.207818 Br\n0.141650 0.858349 0.394846 Br\n0.470189 0.940378 0.707818 Br\n0.059621 0.529811 0.707818 Br\n0.141650 0.283301 0.394846 Br\n0.858349 0.716699 0.894846 Br\n0.283301 0.141651 0.894846 Br\n0.529811 0.470189 0.207818 Br\n0.716699 0.858349 0.394846 Br\n0.858349 0.141651 0.894846 Br\n0.333333 0.666667 0.099395 O\n0.666667 0.333333 0.599395 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 4.675725201869476,
"density_atomic": 0.02964748916660778,
"volume": 742.0527207672881,
"volume_molar": 20.312481526370835,
"formula_full": "Ba8 Br12 O2",
"formula_reduced": "Ba4Br6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-94095",
"created_at": "2022-09-04T14:35:43.691817Z",
"updated_at": "2022-09-04T14:35:43.691834Z",
"structure_string": "Mg6 Ga1 Ni1\n1.0\n6.028132 0.049540 0.000000\n-2.971163 5.245285 0.000000\n0.000000 0.000000 4.808691\nMg Ga Ni\n6 1 1\ndirect\n0.164088 0.844999 0.250000 Mg\n0.655000 0.335912 0.250000 Mg\n0.662624 0.837375 0.250000 Mg\n0.329461 0.638685 0.750000 Mg\n0.861314 0.170539 0.750000 Mg\n0.836026 0.663973 0.750000 Mg\n0.335866 0.164134 0.750000 Ga\n0.155622 0.344378 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Ni"
],
"chemical_system": "Ga-Mg-Ni",
"density": 2.981221998928921,
"density_atomic": 0.05237141058715905,
"volume": 152.755098827938,
"volume_molar": 11.498908836869424,
"formula_full": "Mg6 Ga1 Ni1",
"formula_reduced": "Mg6GaNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-88059",
"created_at": "2022-09-04T14:36:16.613651Z",
"updated_at": "2022-09-04T14:36:16.613677Z",
"structure_string": "Cu1 Sb2 Xe4 F20\n1.0\n7.404061 -0.000000 3.908302\n3.702031 7.714795 1.954151\n0.100649 -0.000000 8.776770\nCu Sb Xe F\n1 2 4 20\ndirect\n0.500000 0.000000 -0.000000 Cu\n0.750000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.906434 0.880309 0.573349 Xe\n0.213257 0.426651 0.880308 Xe\n0.360092 0.119692 0.426651 Xe\n0.520216 0.573350 0.119692 Xe\n0.883003 0.469069 0.253096 F\n0.304989 0.148138 0.200331 F\n0.151293 0.897544 0.367622 F\n0.161024 0.894884 0.774700 F\n0.494680 0.200331 0.851862 F\n0.768167 0.000000 -0.000000 F\n0.546873 0.799670 0.148138 F\n0.519337 0.500000 0.500000 F\n0.944093 0.225300 0.894883 F\n0.416459 0.102457 0.632378 F\n0.481085 0.367622 0.102457 F\n0.830607 0.105117 0.225300 F\n0.863901 0.253097 0.530931 F\n0.064276 0.774700 0.105116 F\n0.647929 0.746904 0.469068 F\n0.951163 0.632379 0.897543 F\n0.605167 0.530932 0.746903 F\n0.653458 0.851862 0.799669 F\n0.980662 0.500000 0.500000 F\n0.231833 0.000000 -0.000000 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Cu",
"Sb",
"Xe",
"F"
],
"chemical_system": "Cu-F-Sb-Xe",
"density": 4.039553474639559,
"density_atomic": 0.05418406406241999,
"volume": 498.3014926472851,
"volume_molar": 11.114228628296503,
"formula_full": "Cu1 Sb2 Xe4 F20",
"formula_reduced": "CuSb2(XeF5)4",
"formula_anonymous": "AB2C4D20",
"energy_above_hull": 0.0,
"spacegroup": 82
},
{
"id": "jvasp-98665",
"created_at": "2022-09-04T14:36:11.402084Z",
"updated_at": "2022-09-04T14:36:11.402108Z",
"structure_string": "Na8 Mg4 In4 F28\n1.0\n7.337701 0.000000 0.000000\n-0.000000 7.505257 0.000000\n0.000000 0.000000 10.276654\nNa Mg In F\n8 4 4 28\ndirect\n0.250000 0.255774 0.277889 Na\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.750000 0.744226 0.722110 Na\n0.750000 0.755775 0.222111 Na\n0.250000 0.244226 0.777889 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.250000 0.716965 0.760405 In\n0.250000 0.783035 0.260405 In\n0.750000 0.216965 0.739595 In\n0.750000 0.283035 0.239595 In\n0.250000 0.470436 0.940921 F\n0.750000 0.529564 0.059079 F\n0.750000 0.970437 0.559079 F\n0.250000 0.029564 0.440921 F\n0.250000 0.483521 0.650827 F\n0.750000 0.516479 0.349172 F\n0.445865 0.706858 0.115358 F\n0.250000 0.962189 0.859692 F\n0.945865 0.293142 0.884642 F\n0.554135 0.206858 0.384642 F\n0.054135 0.793143 0.615358 F\n0.554135 0.293142 0.884642 F\n0.054135 0.706858 0.115358 F\n0.445865 0.793143 0.615358 F\n0.945865 0.206858 0.384642 F\n0.492522 0.324447 0.144644 F\n0.250000 0.016479 0.150827 F\n-0.007478 0.675553 0.855356 F\n0.007478 0.175553 0.644644 F\n0.507478 0.675553 0.855356 F\n0.007478 0.324447 0.144644 F\n0.492522 0.175553 0.644644 F\n-0.007478 0.824447 0.355356 F\n0.250000 0.537811 0.359693 F\n0.750000 0.462189 0.640307 F\n0.750000 0.037811 0.140307 F\n0.507478 0.824447 0.355356 F\n0.750000 -0.016479 0.849172 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Na",
"Mg",
"In",
"F"
],
"chemical_system": "F-In-Mg-Na",
"density": 3.7332205618016197,
"density_atomic": 0.07774551819431916,
"volume": 565.9490221677507,
"volume_molar": 7.745965169269444,
"formula_full": "Na8 Mg4 In4 F28",
"formula_reduced": "Na2MgInF7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-99160",
"created_at": "2022-09-04T14:36:32.211697Z",
"updated_at": "2022-09-04T14:36:32.211727Z",
"structure_string": "Al4 Tl4 Br16\n1.0\n7.407741 0.000000 0.000000\n0.000000 8.221310 -2.502630\n0.000000 0.146377 13.267560\nAl Tl Br\n4 4 16\ndirect\n0.783332 0.289113 0.546677 Al\n0.216668 0.710888 0.453323 Al\n0.783332 0.710888 0.953323 Al\n0.216668 0.289112 0.046677 Al\n0.107111 0.000000 0.250000 Tl\n0.358739 0.500000 0.750000 Tl\n0.641261 0.500000 0.250000 Tl\n0.892889 0.000000 0.750000 Tl\n0.256319 0.202298 0.864971 Br\n0.733071 0.434295 0.893122 Br\n0.743681 0.202298 0.364971 Br\n0.425964 0.847023 0.377609 Br\n0.743681 0.797703 0.135030 Br\n0.071082 0.782299 0.911665 Br\n0.256319 0.797703 0.635030 Br\n0.071082 0.217702 0.588335 Br\n0.425964 0.152977 0.122391 Br\n0.266929 0.565705 0.106878 Br\n0.928918 0.782299 0.411665 Br\n0.928918 0.217702 0.088335 Br\n0.266929 0.434295 0.393122 Br\n0.574036 0.847023 0.877609 Br\n0.574036 0.152977 0.622391 Br\n0.733071 0.565706 0.606878 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Al",
"Tl",
"Br"
],
"chemical_system": "Al-Br-Tl",
"density": 4.514104438264317,
"density_atomic": 0.029603104613623334,
"volume": 810.7257773549607,
"volume_molar": 20.342936454133305,
"formula_full": "Al4 Tl4 Br16",
"formula_reduced": "AlTlBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 13
},
{
"id": "jvasp-105628",
"created_at": "2022-09-04T14:35:52.459768Z",
"updated_at": "2022-09-04T14:35:52.459795Z",
"structure_string": "K3 Sc1 I6\n1.0\n7.473072 0.000000 4.314580\n2.491024 7.045680 4.314580\n0.000000 -0.000000 8.629161\nK Sc I\n3 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sc\n0.765674 0.234326 0.234326 I\n0.234325 0.234326 0.765674 I\n0.234325 0.765674 0.765675 I\n0.234325 0.765674 0.234326 I\n0.765674 0.234326 0.765675 I\n0.765674 0.765674 0.234326 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Sc",
"I"
],
"chemical_system": "I-K-Sc",
"density": 3.375816807963525,
"density_atomic": 0.02200945795400156,
"volume": 454.3501262456984,
"volume_molar": 27.36160414575366,
"formula_full": "K3 Sc1 I6",
"formula_reduced": "K3ScI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-98275",
"created_at": "2022-09-04T14:36:06.829625Z",
"updated_at": "2022-09-04T14:36:06.829642Z",
"structure_string": "In12 Sn4 I20\n1.0\n8.793286 0.000000 -1.443823\n0.000000 9.010718 0.000000\n0.000097 0.000000 17.597936\nIn Sn I\n12 4 20\ndirect\n0.383036 0.180117 0.249335 In\n0.383037 0.319883 0.749335 In\n0.889993 0.397638 0.247516 In\n0.110007 0.897638 0.252484 In\n0.616964 0.680117 0.250665 In\n0.782362 0.454125 0.971394 In\n0.217639 0.545875 0.028607 In\n0.889993 0.102362 0.747516 In\n0.217639 0.954125 0.528607 In\n0.110008 0.602362 0.752485 In\n0.616964 0.819883 0.750666 In\n0.782362 0.045875 0.471394 In\n0.705530 0.035915 0.083763 Sn\n0.294470 0.535915 0.416238 Sn\n0.705531 0.464085 0.583763 Sn\n0.294471 0.964085 0.916238 Sn\n0.619989 0.119196 0.895662 I\n0.868732 0.778808 0.611864 I\n0.619989 0.380804 0.395662 I\n0.250387 0.960632 0.737697 I\n0.250387 0.539368 0.237697 I\n0.016395 0.293873 0.604798 I\n0.131269 0.278808 0.888137 I\n0.457103 0.647014 0.898643 I\n0.131269 0.221192 0.388137 I\n0.380012 0.880804 0.104338 I\n0.983606 0.706127 0.395203 I\n0.016394 0.206127 0.104797 I\n0.868732 0.721192 0.111863 I\n0.983606 0.793874 0.895203 I\n0.542898 0.352986 0.101357 I\n0.749614 0.460632 0.762304 I\n0.457103 0.852986 0.398643 I\n0.380012 0.619196 0.604338 I\n0.749614 0.039368 0.262304 I\n0.542898 0.147014 0.601357 I\n",
"nsites": 36,
"nelements": 3,
"elements": [
"In",
"Sn",
"I"
],
"chemical_system": "I-In-Sn",
"density": 5.228951679536982,
"density_atomic": 0.025818426863978935,
"volume": 1394.352963085682,
"volume_molar": 23.324971702291837,
"formula_full": "In12 Sn4 I20",
"formula_reduced": "In3SnI5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-66148",
"created_at": "2022-09-04T14:36:03.746243Z",
"updated_at": "2022-09-04T14:36:03.746276Z",
"structure_string": "Ba1 Mg1 Cd1\n1.0\n0.000000 3.991592 3.991592\n3.991592 0.000000 3.991592\n3.991592 3.991592 -0.000000\nBa Mg Cd\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cd"
],
"chemical_system": "Ba-Cd-Mg",
"density": 3.5776626278655237,
"density_atomic": 0.02358592039670041,
"volume": 127.19452747833787,
"volume_molar": 25.53277827920795,
"formula_full": "Ba1 Mg1 Cd1",
"formula_reduced": "BaMgCd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-65635",
"created_at": "2022-09-04T14:35:46.885913Z",
"updated_at": "2022-09-04T14:35:46.885930Z",
"structure_string": "Ba2 Mg1 Ga1\n1.0\n0.000000 4.187741 4.187741\n4.187741 0.000000 4.187741\n4.187741 4.187741 -0.000000\nBa Mg Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Ga"
],
"chemical_system": "Ba-Ga-Mg",
"density": 4.168037279694056,
"density_atomic": 0.027232690719828246,
"volume": 146.88229088900061,
"volume_molar": 22.11364577212068,
"formula_full": "Ba2 Mg1 Ga1",
"formula_reduced": "Ba2MgGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102357",
"created_at": "2022-09-04T14:37:01.786416Z",
"updated_at": "2022-09-04T14:37:01.786427Z",
"structure_string": "Na2 Al1 Cu1 F6\n1.0\n4.861213 -0.000000 2.806623\n1.620404 4.583196 2.806623\n-0.000000 -0.000000 5.613245\nNa Al Cu F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.499999 0.500000 0.500000 Cu\n0.771911 0.228088 0.228088 F\n0.228087 0.228088 0.771913 F\n0.228087 0.771913 0.771913 F\n0.228087 0.771913 0.228088 F\n0.771911 0.228088 0.771913 F\n0.771911 0.771913 0.228088 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Al",
"Cu",
"F"
],
"chemical_system": "Al-Cu-F-Na",
"density": 3.3260242247234455,
"density_atomic": 0.07996002495206868,
"volume": 125.06249223902083,
"volume_molar": 7.53143932059791,
"formula_full": "Na2 Al1 Cu1 F6",
"formula_reduced": "Na2AlCuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}