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=622",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=620",
"results": [
{
"id": "jvasp-121043",
"created_at": "2022-09-04T14:38:54.759429Z",
"updated_at": "2022-09-04T14:38:54.759459Z",
"structure_string": "Sr1 Sn1 F1\n1.0\n3.489264 -0.000000 -0.000000\n0.000000 3.489264 0.000000\n0.000000 -0.000000 7.904385\nSr Sn F\n1 1 1\ndirect\n0.000000 0.000000 0.008092 Sr\n0.000000 0.000000 0.571913 Sn\n0.000000 0.000000 0.292220 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"F"
],
"chemical_system": "F-Sn-Sr",
"density": 3.8880271756499707,
"density_atomic": 0.03117349602541474,
"volume": 96.23559698130094,
"volume_molar": 19.318143704800846,
"formula_full": "Sr1 Sn1 F1",
"formula_reduced": "SrSnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1066899999999999,
"spacegroup": 99
},
{
"id": "jvasp-100249",
"created_at": "2022-09-04T14:36:38.391786Z",
"updated_at": "2022-09-04T14:36:38.391797Z",
"structure_string": "Tl6 As2\n1.0\n7.336121 -0.000000 0.000000\n-3.668060 6.353268 -0.000000\n0.000000 -0.000000 5.005020\nTl As\n6 2\ndirect\n0.175545 0.351090 0.250000 Tl\n0.648910 0.824456 0.250000 Tl\n0.175545 0.824456 0.250000 Tl\n0.824455 0.648910 0.750000 Tl\n0.351090 0.175545 0.750000 Tl\n0.824455 0.175545 0.750000 Tl\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"As"
],
"chemical_system": "As-Tl",
"density": 9.79587385984886,
"density_atomic": 0.03429418673588473,
"volume": 233.275687847963,
"volume_molar": 17.560237851328186,
"formula_full": "Tl6 As2",
"formula_reduced": "Tl3As",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1069898875,
"spacegroup": 194
},
{
"id": "jvasp-19648",
"created_at": "2022-09-04T14:38:29.989301Z",
"updated_at": "2022-09-04T14:38:29.989328Z",
"structure_string": "Cd1 Au3\n1.0\n4.195971 0.000000 -0.000000\n0.000000 4.195971 -0.000000\n-0.000000 0.000000 4.194333\nCd Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Au"
],
"chemical_system": "Au-Cd",
"density": 15.814973306692346,
"density_atomic": 0.054166668844105544,
"volume": 73.84615087762191,
"volume_molar": 11.117797879230917,
"formula_full": "Cd1 Au3",
"formula_reduced": "CdAu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1071137849999999,
"spacegroup": 221
},
{
"id": "jvasp-97395",
"created_at": "2022-09-04T14:36:05.251799Z",
"updated_at": "2022-09-04T14:36:05.251817Z",
"structure_string": "K20 Sn4 Sb12\n1.0\n8.664965 0.000000 0.000000\n0.000000 9.861907 -0.026974\n0.000000 -0.016020 16.055330\nK Sn Sb\n20 4 12\ndirect\n0.162698 0.576218 0.258550 K\n0.503247 0.306584 0.242211 K\n0.003246 0.193416 0.257790 K\n0.996754 0.806584 0.742211 K\n0.980809 0.830242 0.421585 K\n0.480809 0.669758 0.078416 K\n0.019192 0.169758 0.578416 K\n0.519192 0.330242 0.921584 K\n0.493780 0.696347 0.411262 K\n0.993780 0.803653 0.088739 K\n0.496754 0.693416 0.757790 K\n0.006220 0.196347 0.911262 K\n0.324400 0.079301 0.078762 K\n0.824401 0.420699 0.421239 K\n0.675600 0.920699 0.921239 K\n0.175600 0.579301 0.578762 K\n0.337302 0.076218 0.758550 K\n0.506221 0.303653 0.588738 K\n0.837303 0.423782 0.741450 K\n0.662698 0.923782 0.241450 K\n0.644242 0.925664 0.588314 Sn\n0.144242 0.574337 0.911686 Sn\n0.355759 0.074337 0.411686 Sn\n0.855759 0.425664 0.088314 Sn\n0.737328 0.081895 0.731303 Sb\n0.260722 0.848213 0.918872 Sb\n0.760722 0.651787 0.581129 Sb\n0.739279 0.151787 0.081129 Sb\n0.239279 0.348213 0.418871 Sb\n0.195337 0.417697 0.065881 Sb\n0.695338 0.082303 0.434119 Sb\n0.804663 0.582303 0.934120 Sb\n0.304663 0.917697 0.565881 Sb\n0.262673 0.918106 0.268697 Sb\n0.762673 0.581895 0.231303 Sb\n0.237328 0.418106 0.768697 Sb\n",
"nsites": 36,
"nelements": 3,
"elements": [
"K",
"Sn",
"Sb"
],
"chemical_system": "K-Sb-Sn",
"density": 3.2895838352960225,
"density_atomic": 0.02623957122355413,
"volume": 1371.9736383376705,
"volume_molar": 22.950606580774398,
"formula_full": "K20 Sn4 Sb12",
"formula_reduced": "K5SnSb3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.1071645763888889,
"spacegroup": 14
},
{
"id": "jvasp-3033",
"created_at": "2022-09-04T14:36:55.002661Z",
"updated_at": "2022-09-04T14:36:55.002682Z",
"structure_string": "Rb2 Au2 Se2\n1.0\n5.365120 -0.011437 0.000000\n-1.100174 5.251120 0.000000\n0.000000 0.000000 6.911409\nRb Au Se\n2 2 2\ndirect\n0.631693 0.368307 0.250000 Rb\n0.368308 0.631692 0.750000 Rb\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.209692 0.790308 0.250000 Se\n0.790308 0.209691 0.750000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"Au",
"Se"
],
"chemical_system": "Au-Rb-Se",
"density": 6.166752334072415,
"density_atomic": 0.030828137170568145,
"volume": 194.62739402003976,
"volume_molar": 19.534559375677695,
"formula_full": "Rb2 Au2 Se2",
"formula_reduced": "RbAuSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1072551561111112,
"spacegroup": 63
},
{
"id": "jvasp-69353",
"created_at": "2022-09-04T14:35:43.284201Z",
"updated_at": "2022-09-04T14:35:43.284231Z",
"structure_string": "Ba2 Mg1 Sb1\n1.0\n0.000000 4.232935 4.232935\n4.232935 0.000000 4.232935\n4.232935 4.232935 0.000000\nBa Mg Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.500001 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Sb"
],
"chemical_system": "Ba-Mg-Sb",
"density": 4.605602249309816,
"density_atomic": 0.026369700478943096,
"volume": 151.68924664859603,
"volume_molar": 22.837349877405085,
"formula_full": "Ba2 Mg1 Sb1",
"formula_reduced": "Ba2MgSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1072673404166666,
"spacegroup": 225
},
{
"id": "jvasp-80290",
"created_at": "2022-09-04T14:37:17.605801Z",
"updated_at": "2022-09-04T14:37:17.605824Z",
"structure_string": "Na1 Ca2 Al1\n1.0\n-11.680906 -0.000000 -6.743975\n-7.611074 0.291337 -0.305182\n-6.567998 3.241603 -2.111843\nNa Ca Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.727423 0.000001 -0.000000 Ca\n0.272576 0.000000 -0.000000 Ca\n0.500000 0.000001 -0.000000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ca",
"Al"
],
"chemical_system": "Al-Ca-Na",
"density": 1.4490987816848935,
"density_atomic": 0.026825043824050224,
"volume": 149.11438826481117,
"volume_molar": 22.449695886799624,
"formula_full": "Na1 Ca2 Al1",
"formula_reduced": "NaCa2Al",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1073181600000001,
"spacegroup": 71
},
{
"id": "jvasp-101185",
"created_at": "2022-09-04T14:37:07.592856Z",
"updated_at": "2022-09-04T14:37:07.592876Z",
"structure_string": "In2 Bi1\n1.0\n5.592944 0.000000 0.000000\n-2.796471 4.843631 0.000000\n0.000000 0.000000 3.312738\nIn Bi\n2 1\ndirect\n0.000000 0.000000 0.500000 In\n0.333333 0.666666 -0.000000 In\n0.666666 0.333333 0.500000 Bi\n",
"nsites": 3,
"nelements": 2,
"elements": [
"In",
"Bi"
],
"chemical_system": "Bi-In",
"density": 8.115875066929918,
"density_atomic": 0.03342894296281433,
"volume": 89.74259231998865,
"volume_molar": 18.014750770608888,
"formula_full": "In2 Bi1",
"formula_reduced": "In2Bi",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1073671444444444,
"spacegroup": 187
},
{
"id": "jvasp-25280",
"created_at": "2022-09-04T14:37:52.366030Z",
"updated_at": "2022-09-04T14:37:52.366056Z",
"structure_string": "C16\n1.0\n2.522127 0.000000 0.000000\n-1.261064 2.184226 -0.000000\n0.000000 -0.000000 16.559070\nC\n16\ndirect\n0.000000 0.000000 0.953300 C\n0.666669 0.333334 0.297422 C\n0.333335 0.666668 0.797422 C\n0.666669 0.333334 0.202578 C\n0.333335 0.666668 0.077867 C\n0.333335 0.666668 0.328793 C\n0.333335 0.666668 0.422133 C\n0.666669 0.333334 0.671207 C\n0.333335 0.666668 0.702578 C\n0.000000 0.000000 0.453300 C\n0.000000 0.000000 0.046700 C\n0.333335 0.666668 0.171207 C\n0.666669 0.333334 0.828793 C\n0.000000 0.000000 0.546700 C\n0.666669 0.333334 0.577867 C\n0.666669 0.333334 0.922133 C\n",
"nsites": 16,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4981379634576677,
"density_atomic": 0.17539593213652718,
"volume": 91.2221840330122,
"volume_molar": 3.4334552042588995,
"formula_full": "C16",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.1073699999999995,
"spacegroup": 194
},
{
"id": "jvasp-57638",
"created_at": "2022-09-04T14:38:36.694286Z",
"updated_at": "2022-09-04T14:38:36.694317Z",
"structure_string": "Ca4 Cd8\n1.0\n3.008589 -5.211028 0.000000\n3.008589 5.211028 -0.000000\n0.000000 -0.000000 9.578587\nCa Cd\n4 8\ndirect\n0.333333 0.666667 0.059836 Ca\n0.666667 0.333333 0.559836 Ca\n0.666667 0.333333 0.940165 Ca\n0.333333 0.666667 0.440164 Ca\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.341753 0.170876 0.250000 Cd\n0.170876 0.341753 0.750000 Cd\n0.170876 0.829124 0.750000 Cd\n0.829124 0.170876 0.250000 Cd\n0.829124 0.658247 0.250000 Cd\n0.658247 0.829124 0.750000 Cd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ca",
"Cd"
],
"chemical_system": "Ca-Cd",
"density": 5.858323273428403,
"density_atomic": 0.039954300546275995,
"volume": 300.3431379333327,
"volume_molar": 15.072572107788542,
"formula_full": "Ca4 Cd8",
"formula_reduced": "CaCd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.10738375,
"spacegroup": 194
},
{
"id": "jvasp-8656",
"created_at": "2022-09-04T14:37:04.836518Z",
"updated_at": "2022-09-04T14:37:04.836545Z",
"structure_string": "Tl4 O2\n1.0\n3.542135 -0.006251 12.462902\n1.731437 3.090127 12.462902\n-0.010690 -0.006251 12.956486\nTl O\n4 2\ndirect\n0.289560 0.289560 0.289559 Tl\n0.710441 0.710442 0.710438 Tl\n0.877344 0.877344 0.877340 Tl\n0.122657 0.122657 0.122657 Tl\n0.583352 0.583352 0.583349 O\n0.416649 0.416649 0.416648 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tl",
"O"
],
"chemical_system": "O-Tl",
"density": 9.898756225114393,
"density_atomic": 0.042102030311158854,
"volume": 142.51094200580016,
"volume_molar": 14.303682543318754,
"formula_full": "Tl4 O2",
"formula_reduced": "Tl2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1074062333333335,
"spacegroup": 166
},
{
"id": "jvasp-26390",
"created_at": "2022-09-04T14:37:59.006096Z",
"updated_at": "2022-09-04T14:37:59.006108Z",
"structure_string": "Tl4 O2\n1.0\n3.553893 0.002775 0.484076\n1.741061 3.098204 0.484076\n0.040201 0.023544 12.953209\nTl O\n4 2\ndirect\n0.122829 0.122827 0.632116 Tl\n0.289067 0.289065 0.131203 Tl\n0.877172 0.877168 0.367885 Tl\n0.710934 0.710930 0.868797 Tl\n0.582930 0.582928 0.249834 O\n0.417070 0.417068 0.750167 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tl",
"O"
],
"chemical_system": "O-Tl",
"density": 9.900890011711137,
"density_atomic": 0.042111105870343314,
"volume": 142.48022881359407,
"volume_molar": 14.300599890541188,
"formula_full": "Tl4 O2",
"formula_reduced": "Tl2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1074662333333335,
"spacegroup": 166
}
]
}