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=643",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=641",
"results": [
{
"id": "jvasp-79196",
"created_at": "2022-09-04T14:36:38.238385Z",
"updated_at": "2022-09-04T14:36:38.238414Z",
"structure_string": "Ca1 Mg3\n1.0\n3.472911 0.000000 -0.000000\n-1.736455 3.007628 0.000000\n0.000000 -0.000000 10.576092\nCa Mg\n1 3\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.764433 Mg\n0.666666 0.333333 0.235567 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6984690747185434,
"density_atomic": 0.036209038959924056,
"volume": 110.46965384602379,
"volume_molar": 16.631595129230764,
"formula_full": "Ca1 Mg3",
"formula_reduced": "CaMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1224179999999999,
"spacegroup": 187
},
{
"id": "jvasp-12800",
"created_at": "2022-09-04T14:37:51.747270Z",
"updated_at": "2022-09-04T14:37:51.747280Z",
"structure_string": "K12 Al4 Te12\n1.0\n8.616892 -0.032006 0.000000\n-1.771736 8.900650 0.000000\n0.000000 0.000000 13.628248\nK Al Te\n12 4 12\ndirect\n0.733878 0.396294 0.904701 K\n0.293036 0.416771 0.815982 K\n0.233878 0.896294 0.595299 K\n0.766122 0.103705 0.404701 K\n0.793036 0.916771 0.684018 K\n0.206964 0.083228 0.315982 K\n0.706963 0.583228 0.184017 K\n0.266122 0.603705 0.095299 K\n0.157459 0.523595 0.383897 K\n0.342540 0.976404 0.883898 K\n0.842540 0.476404 0.616103 K\n0.657459 0.023595 0.116103 K\n0.900351 0.836106 0.935459 Al\n0.400351 0.336106 0.564541 Al\n0.599648 0.663894 0.435459 Al\n0.099648 0.163894 0.064541 Al\n0.096139 0.231459 0.557718 Te\n0.467736 0.631473 0.613702 Te\n0.032263 0.868527 0.113701 Te\n0.532263 0.368527 0.386299 Te\n0.967736 0.131472 0.886299 Te\n0.457295 0.816653 0.312997 Te\n0.042704 0.683347 0.812997 Te\n0.542705 0.183346 0.687003 Te\n0.957295 0.316653 0.187003 Te\n0.903861 0.768541 0.442282 Te\n0.596138 0.731459 0.942283 Te\n0.403861 0.268541 0.057718 Te\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Al",
"Te"
],
"chemical_system": "Al-K-Te",
"density": 3.3519035269180493,
"density_atomic": 0.026808150331179812,
"volume": 1044.4584819950812,
"volume_molar": 22.46384284482252,
"formula_full": "K12 Al4 Te12",
"formula_reduced": "K3AlTe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.1225071571428571,
"spacegroup": 14
},
{
"id": "jvasp-20948",
"created_at": "2022-09-04T14:38:30.572590Z",
"updated_at": "2022-09-04T14:38:30.572620Z",
"structure_string": "K8 Ta4 F28\n1.0\n0.000000 5.802316 -0.012428\n12.705844 0.000000 0.000000\n0.000000 -0.026461 -8.506803\nK Ta F\n8 4 28\ndirect\n0.764805 0.218004 0.943747 K\n0.235196 0.718004 0.556253 K\n0.235195 0.781996 0.056253 K\n0.764805 0.281996 0.443747 K\n0.235892 0.060283 0.679836 K\n0.764109 0.560283 0.820164 K\n0.764109 0.939717 0.320164 K\n0.235892 0.439717 0.179836 K\n0.275701 0.127541 0.219601 Ta\n0.724300 0.627541 0.280399 Ta\n0.275701 0.372458 0.719601 Ta\n0.724300 0.872458 0.780399 Ta\n0.535451 0.742139 0.793910 F\n0.043741 0.256514 0.696652 F\n0.464550 0.257861 0.206089 F\n0.535451 0.757861 0.293911 F\n0.464550 0.242139 0.706089 F\n0.530916 0.609753 0.089314 F\n0.957321 0.606789 0.110351 F\n0.957321 0.893211 0.610350 F\n0.042680 0.393211 0.889649 F\n0.469084 0.109753 0.410686 F\n0.956259 0.756514 0.803348 F\n0.042680 0.106789 0.389650 F\n0.956259 0.743485 0.303348 F\n0.189423 0.121612 -0.002989 F\n0.213823 0.975229 0.212500 F\n0.786178 0.475229 0.287501 F\n0.786178 0.024771 0.787500 F\n0.213823 0.524771 0.712499 F\n0.530916 0.890247 0.589314 F\n0.810578 0.621612 0.502989 F\n0.810578 0.878388 0.002989 F\n0.189423 0.378388 0.497011 F\n0.569281 0.076369 0.128053 F\n0.430719 0.576369 0.371948 F\n0.430719 0.923631 0.871947 F\n0.569281 0.423631 0.628052 F\n0.043741 0.243486 0.196652 F\n0.469085 0.390247 0.910686 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
"K",
"Ta",
"F"
],
"chemical_system": "F-K-Ta",
"density": 4.153064255816369,
"density_atomic": 0.06378019257589548,
"volume": 627.1539546137595,
"volume_molar": 9.442023482186778,
"formula_full": "K8 Ta4 F28",
"formula_reduced": "K2TaF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.1225187177500006,
"spacegroup": 14
},
{
"id": "jvasp-78675",
"created_at": "2022-09-04T14:36:31.969152Z",
"updated_at": "2022-09-04T14:36:31.969163Z",
"structure_string": "Cu2 Au2\n1.0\n3.610258 -0.000000 -0.000000\n0.000000 4.078529 0.000000\n-0.000000 0.000000 4.078529\nCu Au\n2 2\ndirect\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Au"
],
"chemical_system": "Au-Cu",
"density": 14.406630793400613,
"density_atomic": 0.06660619783392559,
"volume": 60.05447135675739,
"volume_molar": 9.041411994444529,
"formula_full": "Cu2 Au2",
"formula_reduced": "CuAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.12252419,
"spacegroup": 123
},
{
"id": "jvasp-14758",
"created_at": "2022-09-04T14:35:53.884492Z",
"updated_at": "2022-09-04T14:35:53.884511Z",
"structure_string": "Cu2 Au2\n1.0\n3.604227 0.000000 -0.000000\n0.000000 4.082051 -0.000000\n0.000000 0.000000 4.082051\nCu Au\n2 2\ndirect\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Au"
],
"chemical_system": "Au-Cu",
"density": 14.405846613014289,
"density_atomic": 0.06660257233156504,
"volume": 60.05774041409321,
"volume_molar": 9.04190416253025,
"formula_full": "Cu2 Au2",
"formula_reduced": "CuAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.12255419,
"spacegroup": 123
},
{
"id": "jvasp-98245",
"created_at": "2022-09-04T14:36:11.670833Z",
"updated_at": "2022-09-04T14:36:11.670850Z",
"structure_string": "Sb4 S4 Br12 F24\n1.0\n7.852883 0.000000 -1.134879\n0.000000 9.421543 0.000000\n-0.163337 0.000000 12.305734\nSb S Br F\n4 4 12 24\ndirect\n0.198966 0.270113 0.569104 Sb\n0.198966 0.229887 0.069104 Sb\n0.801033 0.770113 0.930895 Sb\n0.801033 0.729887 0.430896 Sb\n0.200331 0.805586 0.207992 S\n0.200331 0.694413 0.707991 S\n0.799668 0.194413 0.792008 S\n0.799668 0.305586 0.292008 S\n0.425827 0.687327 0.622703 Br\n0.726672 0.060176 0.645205 Br\n0.795352 0.088505 0.228410 Br\n0.795352 0.411495 0.728410 Br\n0.574172 0.312673 0.377296 Br\n0.204647 0.911495 0.771590 Br\n0.273327 0.939824 0.354795 Br\n0.204647 0.588505 0.271590 Br\n0.574172 0.187327 0.877296 Br\n0.726673 0.439824 0.145205 Br\n0.425828 0.812673 0.122703 Br\n0.273327 0.560176 0.854794 Br\n0.135589 0.295055 0.205338 F\n-0.016508 0.206180 0.491365 F\n0.105459 0.046963 0.094198 F\n0.016507 0.793820 0.508635 F\n-0.016508 0.293820 0.991365 F\n0.864411 0.704945 0.794661 F\n0.701412 0.911849 0.455488 F\n0.582660 0.669310 0.356874 F\n0.258559 0.161450 0.932095 F\n0.864411 0.795055 0.294661 F\n0.417339 0.330690 0.643126 F\n0.417339 0.169310 0.143126 F\n0.701412 0.588151 0.955488 F\n0.741440 0.661450 0.567904 F\n0.582660 0.830690 0.856873 F\n0.298588 0.411849 0.044512 F\n0.298588 0.088151 0.544512 F\n0.016507 0.706180 0.008635 F\n0.741440 0.838549 0.067904 F\n0.894541 0.546963 0.405802 F\n0.105459 0.453037 0.594198 F\n0.894540 0.953037 0.905802 F\n0.258559 0.338549 0.432095 F\n0.135588 0.204945 0.705338 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sb",
"S",
"Br",
"F"
],
"chemical_system": "Br-F-S-Sb",
"density": 3.709742664030701,
"density_atomic": 0.04842034309006605,
"volume": 908.7089680086772,
"volume_molar": 12.437212080051344,
"formula_full": "Sb4 S4 Br12 F24",
"formula_reduced": "SbS(BrF2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 0.1226554645454546,
"spacegroup": 14
},
{
"id": "jvasp-14596",
"created_at": "2022-09-04T14:36:37.346256Z",
"updated_at": "2022-09-04T14:36:37.346286Z",
"structure_string": "As2\n1.0\n3.365340 -0.000000 1.942980\n1.121780 3.172874 1.942980\n-0.000000 -0.000000 3.885961\nAs\n2\ndirect\n0.250000 0.250000 0.250000 As\n0.750000 0.749999 0.750000 As\n",
"nsites": 2,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 5.996611668766393,
"density_atomic": 0.048200304805088794,
"volume": 41.493513538712065,
"volume_molar": 12.493988957854489,
"formula_full": "As2",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy_above_hull": 0.1226717499999998,
"spacegroup": 221
},
{
"id": "jvasp-25083",
"created_at": "2022-09-04T14:37:42.500812Z",
"updated_at": "2022-09-04T14:37:42.500836Z",
"structure_string": "As2\n1.0\n3.365340 -0.000000 1.942980\n1.121780 3.172874 1.942980\n-0.000000 -0.000000 3.885961\nAs\n2\ndirect\n0.250000 0.250000 0.250000 As\n0.750000 0.749999 0.750000 As\n",
"nsites": 2,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 5.996611668766393,
"density_atomic": 0.048200304805088794,
"volume": 41.493513538712065,
"volume_molar": 12.493988957854489,
"formula_full": "As2",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy_above_hull": 0.1226717499999998,
"spacegroup": 221
},
{
"id": "jvasp-91904",
"created_at": "2022-09-04T14:35:57.380810Z",
"updated_at": "2022-09-04T14:35:57.380819Z",
"structure_string": "Ba1 Mg6 Mo1\n1.0\n6.672171 -1.787915 0.000000\n-4.884464 8.460141 0.000000\n0.000000 0.000000 4.129627\nBa Mg Mo\n1 6 1\ndirect\n0.250044 0.375022 0.250000 Ba\n0.749979 0.374961 0.250000 Mg\n0.749979 0.875016 0.250000 Mg\n0.249982 0.083050 0.750000 Mg\n0.249982 0.666934 0.750000 Mg\n0.666138 0.083068 0.750000 Mg\n0.833871 0.666935 0.750000 Mg\n0.250023 0.875011 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Mo"
],
"chemical_system": "Ba-Mg-Mo",
"density": 3.194759956153565,
"density_atomic": 0.04060025620253789,
"volume": 197.04309155319876,
"volume_molar": 14.832765413986627,
"formula_full": "Ba1 Mg6 Mo1",
"formula_reduced": "BaMg6Mo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1227207712499999,
"spacegroup": 123
},
{
"id": "jvasp-36510",
"created_at": "2022-09-04T14:37:31.950499Z",
"updated_at": "2022-09-04T14:37:31.950509Z",
"structure_string": "Ca3 Bi1 Sb1\n1.0\n5.771394 0.000000 0.000000\n0.000000 5.771394 0.000000\n0.000000 0.000000 5.771394\nCa Bi Sb\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"Sb"
],
"chemical_system": "Bi-Ca-Sb",
"density": 3.895460599307532,
"density_atomic": 0.02600925026140159,
"volume": 192.239297547924,
"volume_molar": 23.153842188742427,
"formula_full": "Ca3 Bi1 Sb1",
"formula_reduced": "Ca3BiSb",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.1227583319999999,
"spacegroup": 221
},
{
"id": "jvasp-13407",
"created_at": "2022-09-04T14:37:10.871190Z",
"updated_at": "2022-09-04T14:37:10.871209Z",
"structure_string": "Rb12 Cu4 O8\n1.0\n0.000000 6.727923 -0.010633\n9.711117 0.000000 0.000000\n0.000000 -3.524336 -8.717089\nRb Cu O\n12 4 8\ndirect\n0.238575 0.709622 0.312260 Rb\n0.245415 0.463997 0.005125 Rb\n0.245415 0.036004 0.505125 Rb\n0.754584 0.536004 0.994875 Rb\n0.734656 0.522363 0.375120 Rb\n0.265343 0.022363 0.124879 Rb\n0.754584 0.963997 0.494875 Rb\n0.734656 0.977637 0.875120 Rb\n0.238575 0.790378 0.812260 Rb\n0.761423 0.290378 0.687740 Rb\n0.761424 0.209622 0.187740 Rb\n0.265342 0.477637 0.624879 Rb\n0.292253 0.320420 0.327241 Cu\n0.707746 0.820420 0.172758 Cu\n0.707745 0.679580 0.672759 Cu\n0.292253 0.179580 0.827241 Cu\n0.512428 0.302015 0.879334 O\n0.067745 0.060550 0.777963 O\n0.932253 0.560551 0.722037 O\n0.932254 0.939450 0.222037 O\n0.067745 0.439450 0.277963 O\n0.487571 0.697985 0.120666 O\n0.512428 0.197985 0.379334 O\n0.487571 0.802016 0.620666 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"O"
],
"chemical_system": "Cu-O-Rb",
"density": 4.101934729475781,
"density_atomic": 0.04211260919266922,
"volume": 569.900570401556,
"volume_molar": 14.300089392343585,
"formula_full": "Rb12 Cu4 O8",
"formula_reduced": "Rb3CuO2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1228072500000001,
"spacegroup": 14
},
{
"id": "jvasp-58891",
"created_at": "2022-09-04T14:37:16.720972Z",
"updated_at": "2022-09-04T14:37:16.721003Z",
"structure_string": "Rb12 Cu4 O8\n1.0\n0.000000 6.727831 -0.010800\n9.711600 0.000000 0.000000\n0.000000 -3.524069 -8.716427\nRb Cu O\n12 4 8\ndirect\n0.238618 0.709614 0.312267 Rb\n0.245415 0.464029 0.005133 Rb\n0.245415 0.035971 0.505133 Rb\n0.754585 0.535971 0.994868 Rb\n0.734687 0.522380 0.375108 Rb\n0.265313 0.022380 0.124892 Rb\n0.754585 0.964029 0.494868 Rb\n0.734687 0.977620 0.875108 Rb\n0.238618 0.790386 0.812267 Rb\n0.761382 0.290386 0.687734 Rb\n0.761382 0.209614 0.187733 Rb\n0.265313 0.477620 0.624893 Rb\n0.292227 0.320437 0.327222 Cu\n0.707773 0.820437 0.172778 Cu\n0.707773 0.679563 0.672778 Cu\n0.292227 0.179563 0.827222 Cu\n0.512379 0.302008 0.879330 O\n0.067710 0.060537 0.777940 O\n0.932290 0.560537 0.722061 O\n0.932290 0.939463 0.222061 O\n0.067710 0.439463 0.277940 O\n0.487621 0.697992 0.120670 O\n0.512379 0.197992 0.379330 O\n0.487621 0.802008 0.620670 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"O"
],
"chemical_system": "Cu-O-Rb",
"density": 4.10205715952172,
"density_atomic": 0.04211386612360988,
"volume": 569.8835611424694,
"volume_molar": 14.299662591708406,
"formula_full": "Rb12 Cu4 O8",
"formula_reduced": "Rb3CuO2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1228205833333334,
"spacegroup": 14
}
]
}