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=1564",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1562",
"results": [
{
"id": "jvasp-37450",
"created_at": "2022-09-04T14:37:58.738562Z",
"updated_at": "2022-09-04T14:37:58.738586Z",
"structure_string": "Y1 Hg1 Pd2\n1.0\n0.000000 3.388797 3.388797\n3.388797 -0.000000 3.388797\n3.388797 3.388797 0.000000\nY Hg Pd\n1 1 2\ndirect\n0.750002 0.750002 0.750002 Y\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Hg",
"Pd"
],
"chemical_system": "Hg-Pd-Y",
"density": 10.717083471931387,
"density_atomic": 0.05139174138333458,
"volume": 77.83351745494906,
"volume_molar": 11.718109948990506,
"formula_full": "Y1 Hg1 Pd2",
"formula_reduced": "YHgPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9741378625,
"spacegroup": 225
},
{
"id": "jvasp-71523",
"created_at": "2022-09-04T14:36:05.205816Z",
"updated_at": "2022-09-04T14:36:05.205828Z",
"structure_string": "Be1 Hg1 Sb2\n1.0\n3.135735 0.000000 -0.000000\n-0.000000 3.135735 -0.000000\n-0.000000 -0.000000 9.241139\nBe Hg Sb\n1 1 2\ndirect\n0.000000 0.000000 0.520666 Be\n0.500001 0.500001 0.680844 Hg\n0.000000 0.000000 0.984431 Sb\n0.500001 0.500001 0.314059 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Sb"
],
"chemical_system": "Be-Hg-Sb",
"density": 8.280569580401616,
"density_atomic": 0.04402058216023117,
"volume": 90.86658566759387,
"volume_molar": 13.68028423177122,
"formula_full": "Be1 Hg1 Sb2",
"formula_reduced": "BeHgSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9741632250000002,
"spacegroup": 99
},
{
"id": "jvasp-74067",
"created_at": "2022-09-04T14:36:11.179225Z",
"updated_at": "2022-09-04T14:36:11.179247Z",
"structure_string": "Mg1 Be1 Pd2\n1.0\n3.095839 0.000000 0.000000\n0.000000 3.095839 0.000000\n0.000000 0.000000 6.042229\nMg Be Pd\n1 1 2\ndirect\n0.500000 0.500000 0.752041 Mg\n0.000000 0.000000 0.435205 Be\n0.000000 0.000000 0.003272 Pd\n0.500000 0.500000 0.309483 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Pd"
],
"chemical_system": "Be-Mg-Pd",
"density": 7.0584232049904285,
"density_atomic": 0.06907264334670866,
"volume": 57.91004667248776,
"volume_molar": 8.718561311997274,
"formula_full": "Mg1 Be1 Pd2",
"formula_reduced": "MgBePd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9742791375,
"spacegroup": 99
},
{
"id": "jvasp-11416",
"created_at": "2022-09-04T14:36:45.755861Z",
"updated_at": "2022-09-04T14:36:45.755881Z",
"structure_string": "Li6 Au2 S4\n1.0\n5.264650 -0.000000 -2.351246\n-1.251627 5.515292 -2.802506\n-0.011113 -0.034536 7.044752\nLi Au S\n6 2 4\ndirect\n0.774159 0.524158 0.548317 Li\n0.225841 0.975840 0.451681 Li\n0.225841 0.475841 0.451681 Li\n0.774159 0.024158 0.548317 Li\n0.500000 0.750000 -0.000001 Li\n0.500000 0.250000 -0.000001 Li\n-0.000000 0.500000 -0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.155118 0.357804 0.715609 S\n0.439508 0.142195 0.284390 S\n0.560491 0.857803 0.715608 S\n0.844882 0.642195 0.284389 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Au",
"S"
],
"chemical_system": "Au-Li-S",
"density": 4.594171159671589,
"density_atomic": 0.05888220992981678,
"volume": 203.7966987703605,
"volume_molar": 10.22743672015358,
"formula_full": "Li6 Au2 S4",
"formula_reduced": "Li3AuS2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9742929283333336,
"spacegroup": 72
},
{
"id": "jvasp-40203",
"created_at": "2022-09-04T14:38:34.598095Z",
"updated_at": "2022-09-04T14:38:34.598127Z",
"structure_string": "Ca4 Sn4 S12\n1.0\n3.840493 -0.000000 0.000000\n-0.000000 8.175583 0.000000\n0.000000 0.000000 13.814896\nCa Sn S\n4 4 12\ndirect\n0.749999 0.425853 0.681134 Ca\n0.749999 0.925853 0.818867 Ca\n0.250000 0.574147 0.318867 Ca\n0.250000 0.074147 0.181133 Ca\n0.749999 0.177942 0.441560 Sn\n0.749999 0.677942 0.058440 Sn\n0.250000 0.822058 0.558441 Sn\n0.250000 0.322058 0.941560 Sn\n0.749999 0.806585 0.220978 S\n0.749999 0.306586 0.279023 S\n0.250000 0.357682 0.508935 S\n0.250000 0.857681 0.991065 S\n0.749999 0.642318 0.491065 S\n0.749999 0.522816 0.889735 S\n0.250000 0.477184 0.110265 S\n0.250000 0.977184 0.389735 S\n0.250000 0.693414 0.720978 S\n0.749999 0.022816 0.610265 S\n0.749999 0.142318 0.008935 S\n0.250000 0.193414 0.779023 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.904514011471472,
"density_atomic": 0.04610804050583613,
"volume": 433.76382471661304,
"volume_molar": 13.060934045197055,
"formula_full": "Ca4 Sn4 S12",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.974334424,
"spacegroup": 62
},
{
"id": "jvasp-40190",
"created_at": "2022-09-04T14:38:31.285790Z",
"updated_at": "2022-09-04T14:38:31.285817Z",
"structure_string": "Ca4 Sn4 S12\n1.0\n3.840883 0.000000 0.000000\n-0.000000 8.171350 0.000000\n0.000000 0.000000 13.818321\nCa Sn S\n4 4 12\ndirect\n0.250000 0.925645 0.318917 Ca\n0.250000 0.425645 0.181083 Ca\n0.749999 0.074355 0.681083 Ca\n0.749999 0.574355 0.818917 Ca\n0.749999 0.322116 0.441477 Sn\n0.749999 0.822116 0.058523 Sn\n0.250000 0.677884 0.558523 Sn\n0.250000 0.177884 0.941477 Sn\n0.749999 0.693356 0.221001 S\n0.749999 0.193356 0.278999 S\n0.749999 0.357694 0.008820 S\n0.749999 0.857694 0.491180 S\n0.250000 0.642306 0.991180 S\n0.250000 0.023024 0.110283 S\n0.749999 0.976976 0.889717 S\n0.749999 0.476976 0.610283 S\n0.250000 0.806644 0.721001 S\n0.250000 0.523024 0.389717 S\n0.250000 0.142306 0.508820 S\n0.250000 0.306644 0.778999 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.905171825021926,
"density_atomic": 0.04611580856448327,
"volume": 433.69075860470286,
"volume_molar": 13.058733973143509,
"formula_full": "Ca4 Sn4 S12",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.974334424,
"spacegroup": 62
},
{
"id": "jvasp-21853",
"created_at": "2022-09-04T14:37:37.623797Z",
"updated_at": "2022-09-04T14:37:37.623807Z",
"structure_string": "Pr2 Ni2 Ge6\n1.0\n4.115401 0.000000 -0.779315\n0.000000 4.218001 0.000000\n-0.013112 0.000000 11.186710\nPr Ni Ge\n2 2 6\ndirect\n0.331190 0.500000 0.662379 Pr\n0.668811 0.500000 0.337622 Pr\n0.108429 0.000000 0.216858 Ni\n0.891571 0.000000 0.783143 Ni\n0.556878 0.000000 0.113757 Ge\n0.443122 0.000000 0.886243 Ge\n0.943140 0.500000 0.886279 Ge\n0.056860 0.500000 0.113721 Ge\n0.784269 0.000000 0.568538 Ge\n0.215731 0.000000 0.431463 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Pr",
"density": 7.142210689207676,
"density_atomic": 0.05150805944137315,
"volume": 194.14437485034887,
"volume_molar": 11.69164753111005,
"formula_full": "Pr2 Ni2 Ge6",
"formula_reduced": "PrNiGe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.97438402,
"spacegroup": 65
},
{
"id": "jvasp-110651",
"created_at": "2022-09-04T14:38:36.860041Z",
"updated_at": "2022-09-04T14:38:36.860062Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n9.394606 -0.000000 0.000000\n0.000000 3.734219 -0.581382\n-0.000000 -0.912192 6.389985\nCa Sn S\n2 2 6\ndirect\n0.750010 0.753626 0.006980 Ca\n0.250010 0.246375 0.993021 Ca\n-0.000005 0.500004 0.499983 Sn\n0.499995 0.499997 0.500018 Sn\n0.749994 0.418636 0.337543 S\n0.249994 0.581365 0.662458 S\n0.048405 -0.143140 0.213555 S\n0.451597 0.856846 0.213589 S\n0.548405 0.143140 0.786445 S\n0.951597 0.143155 0.786412 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.863432628320118,
"density_atomic": 0.04562291429734687,
"volume": 219.18810216342393,
"volume_molar": 13.199816041453994,
"formula_full": "Ca2 Sn2 S6",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.974828424,
"spacegroup": 63
},
{
"id": "jvasp-4912",
"created_at": "2022-09-04T14:36:43.697758Z",
"updated_at": "2022-09-04T14:36:43.697790Z",
"structure_string": "K8 Se20\n1.0\n6.615656 0.000000 0.000000\n0.000000 6.994808 0.000000\n0.000000 0.000000 17.705104\nK Se\n8 20\ndirect\n0.882206 0.585635 0.006986 K\n0.382205 0.914365 0.993014 K\n0.117795 0.085635 0.493014 K\n0.617795 0.414365 0.506986 K\n0.091077 0.259195 0.839331 K\n0.591077 0.240805 0.160669 K\n0.908924 0.759195 0.660669 K\n0.408923 0.740805 0.339331 K\n0.587682 0.742836 0.165547 Se\n0.079747 0.145987 0.124938 Se\n0.579747 0.354013 0.875062 Se\n0.396649 0.424028 0.987273 Se\n0.420253 0.854013 0.624938 Se\n0.896650 0.075972 0.012727 Se\n0.087682 0.757165 0.834453 Se\n0.920254 0.645987 0.375062 Se\n0.412319 0.242836 0.334453 Se\n0.756833 0.131486 0.348738 Se\n0.243167 0.631486 0.151261 Se\n0.743168 0.868514 0.848738 Se\n0.103351 0.575972 0.487273 Se\n0.256833 0.368514 0.651261 Se\n0.027826 0.874011 0.207736 Se\n0.527826 0.625989 0.792264 Se\n0.972175 0.374011 0.292264 Se\n0.472174 0.125989 0.707735 Se\n0.912319 0.257164 0.665546 Se\n0.603351 0.924028 0.512727 Se\n",
"nsites": 28,
"nelements": 2,
"elements": [
"K",
"Se"
],
"chemical_system": "K-Se",
"density": 3.8345986300038355,
"density_atomic": 0.03417518202282337,
"volume": 819.3079990415453,
"volume_molar": 17.621386057221898,
"formula_full": "K8 Se20",
"formula_reduced": "K2Se5",
"formula_anonymous": "A2B5",
"energy_above_hull": 0.975017638095238,
"spacegroup": 19
},
{
"id": "jvasp-80883",
"created_at": "2022-09-04T14:37:15.875276Z",
"updated_at": "2022-09-04T14:37:15.875294Z",
"structure_string": "Al1 Ga1 Pd2\n1.0\n-6.350346 -2.745050 -8.149023\n-3.696776 -2.055537 -1.102444\n-2.429906 1.527713 -3.296729\nAl Ga Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.000001 0.000001 Ga\n0.749672 0.000305 0.000306 Pd\n0.250327 -0.000302 -0.000305 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Ga",
"Pd"
],
"chemical_system": "Al-Ga-Pd",
"density": 8.69770587233027,
"density_atomic": 0.06768500495243752,
"volume": 59.0972845877874,
"volume_molar": 8.897304158035857,
"formula_full": "Al1 Ga1 Pd2",
"formula_reduced": "AlGaPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9754466312500002,
"spacegroup": 225
},
{
"id": "jvasp-93744",
"created_at": "2022-09-04T14:35:45.399893Z",
"updated_at": "2022-09-04T14:35:45.399909Z",
"structure_string": "Zr2 Cu4\n1.0\n0.000000 -0.000000 4.690470\n4.690154 0.000000 0.000000\n0.000000 4.268115 -2.345234\nZr Cu\n2 4\ndirect\n0.030063 0.000000 0.000000 Zr\n0.529938 0.500000 0.999999 Zr\n0.350798 0.000000 0.641375 Cu\n0.709423 0.000000 0.358624 Cu\n0.850578 0.500000 0.641375 Cu\n0.209202 0.500000 0.358624 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Cu"
],
"chemical_system": "Cu-Zr",
"density": 7.7219161365263895,
"density_atomic": 0.06390159117125756,
"volume": 93.89437555506056,
"volume_molar": 9.42408576941463,
"formula_full": "Zr2 Cu4",
"formula_reduced": "ZrCu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9755884666666668,
"spacegroup": 139
},
{
"id": "jvasp-102614",
"created_at": "2022-09-04T14:36:49.238852Z",
"updated_at": "2022-09-04T14:36:49.238885Z",
"structure_string": "La2 Ga2 Sb4\n1.0\n11.766558 0.000605 0.000000\n-10.939180 4.334309 0.000000\n-0.000000 0.000000 4.427826\nLa Ga Sb\n2 2 4\ndirect\n0.862741 0.137261 0.250000 La\n0.137261 0.862740 0.750001 La\n0.154335 0.154335 -0.000000 Ga\n0.845666 0.845666 0.500000 Ga\n0.589779 0.410223 0.250000 Sb\n0.410222 0.589779 0.750001 Sb\n0.249795 0.750206 0.250000 Sb\n0.750206 0.249796 0.750001 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Ga",
"Sb"
],
"chemical_system": "Ga-La-Sb",
"density": 6.648810402699728,
"density_atomic": 0.03542205695881005,
"volume": 225.84797967274082,
"volume_molar": 17.001104049385802,
"formula_full": "La2 Ga2 Sb4",
"formula_reduced": "LaGaSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.97581238125,
"spacegroup": 20
}
]
}