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=49",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=47",
"results": [
{
"id": "jvasp-64780",
"created_at": "2022-09-04T14:35:42.223568Z",
"updated_at": "2022-09-04T14:35:42.223589Z",
"structure_string": "Ba4 Ca1 Sn1\n1.0\n0.000000 5.160848 5.160848\n5.160848 0.000000 5.160848\n5.160848 5.160848 0.000000\nBa Ca Sn\n4 1 1\ndirect\n0.119196 0.626935 0.626935 Ba\n0.626935 0.626935 0.626935 Ba\n0.626935 0.119196 0.626935 Ba\n0.626935 0.626935 0.119196 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Sn"
],
"chemical_system": "Ba-Ca-Sn",
"density": 4.2770865470680395,
"density_atomic": 0.02182519085382257,
"volume": 274.9116853174794,
"volume_molar": 27.592614425844772,
"formula_full": "Ba4 Ca1 Sn1",
"formula_reduced": "Ba4CaSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-97378",
"created_at": "2022-09-04T14:35:41.460458Z",
"updated_at": "2022-09-04T14:35:41.460491Z",
"structure_string": "Rb8 Pd4 I24\n1.0\n7.843872 0.000000 0.000000\n0.000000 12.306037 0.000000\n0.000000 0.000000 14.515626\nRb Pd I\n8 4 24\ndirect\n0.287652 0.007057 0.860461 Rb\n0.787652 0.492943 0.639540 Rb\n0.712348 0.507057 0.139539 Rb\n0.212348 0.992944 0.360461 Rb\n0.712348 0.992944 0.139539 Rb\n0.212348 0.507057 0.360461 Rb\n0.287652 0.492943 0.860461 Rb\n0.787652 0.007057 0.639540 Rb\n0.732724 0.750000 0.398702 Pd\n0.232724 0.750000 0.101298 Pd\n0.267276 0.250000 0.601299 Pd\n0.767276 0.250000 0.898702 Pd\n0.040616 0.250000 0.789568 I\n0.227940 0.531261 0.106261 I\n0.727940 0.968739 0.393739 I\n0.227940 0.968739 0.106261 I\n0.727940 0.531261 0.393739 I\n0.772059 0.468739 0.893739 I\n0.272060 0.031261 0.606261 I\n0.459383 0.750000 0.289568 I\n0.959383 0.750000 0.210432 I\n0.540616 0.250000 0.710432 I\n0.034815 0.750000 0.491618 I\n0.985436 0.250000 0.282738 I\n0.965185 0.250000 0.508382 I\n0.465185 0.250000 0.991618 I\n0.014563 0.750000 0.717263 I\n0.514563 0.750000 0.782738 I\n0.272060 0.468739 0.606261 I\n0.485437 0.250000 0.217262 I\n0.044700 0.750000 0.919285 I\n0.544699 0.750000 0.580715 I\n0.955300 0.250000 0.080715 I\n0.455300 0.250000 0.419285 I\n0.534815 0.750000 0.008382 I\n0.772059 0.031261 0.893739 I\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Rb",
"Pd",
"I"
],
"chemical_system": "I-Pd-Rb",
"density": 4.924353202910906,
"density_atomic": 0.02569318927742448,
"volume": 1401.1495268760457,
"volume_molar": 23.438665768485972,
"formula_full": "Rb8 Pd4 I24",
"formula_reduced": "Rb2PdI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-65318",
"created_at": "2022-09-04T14:35:41.045616Z",
"updated_at": "2022-09-04T14:35:41.045639Z",
"structure_string": "La1 Be1 Cd4\n1.0\n0.000000 4.148810 4.148810\n4.148810 0.000000 4.148810\n4.148810 4.148810 0.000000\nLa Be Cd\n1 1 4\ndirect\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Be\n0.124160 0.625280 0.625280 Cd\n0.625280 0.625280 0.625280 Cd\n0.625280 0.124160 0.625280 Cd\n0.625280 0.625280 0.124160 Cd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Be",
"Cd"
],
"chemical_system": "Be-Cd-La",
"density": 6.947542023574452,
"density_atomic": 0.04200980020361743,
"volume": 142.82381660751972,
"volume_molar": 14.335085458181823,
"formula_full": "La1 Be1 Cd4",
"formula_reduced": "LaBeCd4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-14561",
"created_at": "2022-09-04T14:35:53.588792Z",
"updated_at": "2022-09-04T14:35:53.588820Z",
"structure_string": "Ca1 Ga4\n1.0\n4.107404 -0.003511 1.510653\n-0.514661 4.075034 1.510653\n0.020532 0.023267 6.123421\nCa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.404772 0.404772 0.230682 Ga\n0.595227 0.595227 0.769317 Ga\n0.232526 0.767473 0.500000 Ga\n0.767472 0.232527 0.500000 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ca",
"Ga"
],
"chemical_system": "Ca-Ga",
"density": 5.182977573128473,
"density_atomic": 0.04892720398797578,
"volume": 102.19263707014173,
"volume_molar": 12.30836890143975,
"formula_full": "Ca1 Ga4",
"formula_reduced": "CaGa4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-105673",
"created_at": "2022-09-04T14:35:52.746716Z",
"updated_at": "2022-09-04T14:35:52.746735Z",
"structure_string": "K1 Na2 Ga1 F6\n1.0\n5.311104 -0.000000 3.066367\n1.770368 5.007356 3.066367\n0.000000 0.000000 6.132735\nK Na Ga F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Na\n0.750000 0.750001 0.750000 Na\n0.000000 0.000000 0.000000 Ga\n0.220034 0.220034 0.779965 F\n0.220034 0.779966 0.779965 F\n0.779965 0.779966 0.220035 F\n0.220034 0.779966 0.220034 F\n0.779965 0.220034 0.779966 F\n0.779965 0.220034 0.220035 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Ga",
"F"
],
"chemical_system": "F-Ga-K-Na",
"density": 2.736634284728195,
"density_atomic": 0.061312994382002925,
"volume": 163.09756358817273,
"volume_molar": 9.82196485541027,
"formula_full": "K1 Na2 Ga1 F6",
"formula_reduced": "KNa2GaF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-93514",
"created_at": "2022-09-04T14:35:49.219216Z",
"updated_at": "2022-09-04T14:35:49.219240Z",
"structure_string": "Nd2 Tl2 Zn2\n1.0\n4.760961 0.000000 0.000000\n-2.380481 4.123257 -0.000000\n0.000000 -0.000000 7.607404\nNd Tl Zn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.333336 0.666673 0.250000 Tl\n0.666664 0.333328 0.750000 Tl\n0.333333 0.666666 0.750000 Zn\n0.666667 0.333335 0.250000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Tl",
"Zn"
],
"chemical_system": "Nd-Tl-Zn",
"density": 9.207546159017728,
"density_atomic": 0.040177206847087886,
"volume": 149.3384053011861,
"volume_molar": 14.98894829329455,
"formula_full": "Nd2 Tl2 Zn2",
"formula_reduced": "NdTlZn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-86695",
"created_at": "2022-09-04T14:35:41.048650Z",
"updated_at": "2022-09-04T14:35:41.048673Z",
"structure_string": "Rb2 Hg2 Pd1 Cl8\n1.0\n6.368097 0.039047 1.932409\n2.754388 5.741736 1.932409\n-0.037039 -0.023470 9.834079\nRb Hg Pd Cl\n2 2 1 8\ndirect\n0.397295 0.397295 0.829109 Rb\n0.602705 0.602706 0.170891 Rb\n0.866074 0.866075 0.400908 Hg\n0.133926 0.133926 0.599092 Hg\n0.000000 0.000000 0.000000 Pd\n0.085111 0.085111 0.305976 Cl\n0.106719 0.623961 0.134386 Cl\n0.647880 0.647881 0.503489 Cl\n0.376039 0.893282 0.865614 Cl\n0.352119 0.352120 0.496511 Cl\n0.623961 0.106720 0.134386 Cl\n0.893281 0.376040 0.865614 Cl\n0.914889 0.914890 0.694024 Cl\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Pd",
"Cl"
],
"chemical_system": "Cl-Hg-Pd-Rb",
"density": 4.449349676303782,
"density_atomic": 0.03620292627704166,
"volume": 359.08699480583266,
"volume_molar": 16.634403290816255,
"formula_full": "Rb2 Hg2 Pd1 Cl8",
"formula_reduced": "Rb2Hg2PdCl8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-65156",
"created_at": "2022-09-04T14:35:58.999955Z",
"updated_at": "2022-09-04T14:35:58.999970Z",
"structure_string": "Be1 Cd4 Ni1\n1.0\n0.000000 3.882540 3.882540\n3.882540 -0.000000 3.882540\n3.882540 3.882540 0.000000\nBe Cd Ni\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125468 0.624844 0.624844 Cd\n0.624844 0.624844 0.624844 Cd\n0.624844 0.125468 0.624844 Cd\n0.624844 0.624844 0.125468 Cd\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Ni"
],
"chemical_system": "Be-Cd-Ni",
"density": 7.339312638143152,
"density_atomic": 0.051259390564833605,
"volume": 117.05172328202214,
"volume_molar": 11.748365896748442,
"formula_full": "Be1 Cd4 Ni1",
"formula_reduced": "BeCd4Ni",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-65530",
"created_at": "2022-09-04T14:35:42.318327Z",
"updated_at": "2022-09-04T14:35:42.318358Z",
"structure_string": "K1 Ba1 Cd2\n1.0\n4.202187 -0.000000 0.000000\n0.000000 4.202187 -0.000000\n-0.000000 -0.000000 8.555293\nK Ba Cd\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.736642 Cd\n0.000000 0.000000 0.263358 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Cd"
],
"chemical_system": "Ba-Cd-K",
"density": 4.410375662987993,
"density_atomic": 0.026477340090433555,
"volume": 151.07257701634566,
"volume_molar": 22.744508094209362,
"formula_full": "K1 Ba1 Cd2",
"formula_reduced": "KBaCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-91876",
"created_at": "2022-09-04T14:35:52.696926Z",
"updated_at": "2022-09-04T14:35:52.696953Z",
"structure_string": "Li1 Mg7\n1.0\n6.362340 0.000000 -0.000000\n-3.181170 5.509948 0.000000\n-0.000000 0.000000 5.098930\nLi Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Li\n0.167677 0.833838 0.250000 Mg\n0.666162 0.332323 0.250000 Mg\n0.666162 0.833838 0.250000 Mg\n0.330866 0.169134 0.750000 Mg\n0.330866 0.661734 0.750000 Mg\n0.838267 0.169134 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.644998008820198,
"density_atomic": 0.044755515428215674,
"volume": 178.74891895349458,
"volume_molar": 13.455639382947204,
"formula_full": "Li1 Mg7",
"formula_reduced": "LiMg7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-92936",
"created_at": "2022-09-04T14:35:45.323234Z",
"updated_at": "2022-09-04T14:35:45.323252Z",
"structure_string": "Rb1 Mg6 Ga1\n1.0\n6.814391 0.739512 0.000000\n-2.766759 6.271191 0.000000\n0.000000 0.000000 4.880536\nRb Mg Ga\n1 6 1\ndirect\n0.122234 0.377766 0.250000 Rb\n0.200379 0.903740 0.250000 Mg\n0.596259 0.299621 0.250000 Mg\n0.691262 0.808737 0.250000 Mg\n0.399978 0.724853 0.750001 Mg\n0.775147 0.100021 0.750001 Mg\n0.861905 0.638095 0.750001 Mg\n0.352833 0.147166 0.750001 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg-Rb",
"density": 2.287126172274002,
"density_atomic": 0.03660450241331852,
"volume": 218.5523493713496,
"volume_molar": 16.45191264178706,
"formula_full": "Rb1 Mg6 Ga1",
"formula_reduced": "RbMg6Ga",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-1948",
"created_at": "2022-09-04T14:36:35.459830Z",
"updated_at": "2022-09-04T14:36:35.459840Z",
"structure_string": "Cu1 Br1\n1.0\n3.485937 -0.000000 2.012607\n1.161979 3.286573 2.012607\n0.000000 0.000000 4.025213\nCu Br\n1 1\ndirect\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Br"
],
"chemical_system": "Br-Cu",
"density": 5.165328734296792,
"density_atomic": 0.043368890512872224,
"volume": 46.11600565170982,
"volume_molar": 13.885853866177603,
"formula_full": "Cu1 Br1",
"formula_reduced": "CuBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 216
}
]
}