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=-created_at&page=132",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=130",
"results": [
{
"id": "jvasp-114023",
"created_at": "2022-09-04T14:38:51.960450Z",
"updated_at": "2022-09-04T14:38:51.960476Z",
"structure_string": "S1 F2\n1.0\n3.742804 0.000000 0.000000\n-1.871402 3.241363 -0.000000\n0.000000 0.000000 3.505509\nS F\n1 2\ndirect\n0.000000 0.000000 0.000000 S\n0.333333 0.666667 0.000000 F\n0.666666 0.333333 0.000000 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"S",
"F"
],
"chemical_system": "F-S",
"density": 2.7356125422834583,
"density_atomic": 0.07054161738033173,
"volume": 42.528086417769806,
"volume_molar": 8.537004088708464,
"formula_full": "S1 F2",
"formula_reduced": "SF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4177399999999999,
"spacegroup": 191
},
{
"id": "jvasp-121053",
"created_at": "2022-09-04T14:38:51.960206Z",
"updated_at": "2022-09-04T14:38:51.960235Z",
"structure_string": "Ga1 P1 S4\n1.0\n-2.434282 2.434282 6.602391\n2.434282 -2.434282 6.602391\n2.434282 2.434282 -6.602391\nGa P S\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.750000 0.500000 P\n0.854003 0.139579 0.714424 S\n0.425155 0.139579 0.285576 S\n0.860421 0.574845 0.714424 S\n0.860421 0.145997 0.285576 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ga",
"P",
"S"
],
"chemical_system": "Ga-P-S",
"density": 2.429403008723607,
"density_atomic": 0.038339658785942185,
"volume": 156.49591545660783,
"volume_molar": 15.707340520745866,
"formula_full": "Ga1 P1 S4",
"formula_reduced": "GaPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.953366304166667,
"spacegroup": 119
},
{
"id": "jvasp-117948",
"created_at": "2022-09-04T14:38:51.957325Z",
"updated_at": "2022-09-04T14:38:51.957361Z",
"structure_string": "C1 S2\n1.0\n8.466836 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nC S\n1 2\ndirect\n0.000586 0.000000 0.195958 C\n-0.032674 0.000000 -0.043371 S\n0.220921 0.000000 0.000471 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"C",
"S"
],
"chemical_system": "C-S",
"density": 0.4166127099586361,
"density_atomic": 0.009885253416279268,
"volume": 303.4823563611965,
"volume_molar": 60.92044893945355,
"formula_full": "C1 S2",
"formula_reduced": "CS2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.628096666666667,
"spacegroup": 6
},
{
"id": "jvasp-119147",
"created_at": "2022-09-04T14:38:51.954677Z",
"updated_at": "2022-09-04T14:38:51.954703Z",
"structure_string": "Sr12 Sn4 N3\n1.0\n5.233800 -0.000000 0.000000\n0.000000 5.233800 0.000000\n-0.000000 -0.000000 20.985161\nSr Sn N\n12 4 3\ndirect\n0.500000 0.500000 0.864987 Sr\n-0.000000 0.500000 0.746090 Sr\n-0.000000 0.500000 0.500000 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.500000 0.000000 0.746090 Sr\n0.500000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.253910 Sr\n0.500000 0.000000 -0.000000 Sr\n0.500000 0.500000 0.622999 Sr\n0.500000 0.500000 0.377001 Sr\n0.500000 0.500000 0.135013 Sr\n0.500000 0.000000 0.253910 Sr\n0.000000 0.000000 0.882391 Sn\n0.000000 0.000000 0.117609 Sn\n0.000000 0.000000 0.375041 Sn\n0.000000 0.000000 0.624959 Sn\n0.500000 0.500000 0.500000 N\n0.500000 0.500000 0.249218 N\n0.500000 0.500000 0.750782 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"N"
],
"chemical_system": "N-Sn-Sr",
"density": 4.530349592245707,
"density_atomic": 0.03305270821399992,
"volume": 574.8394315220528,
"volume_molar": 18.219810373811487,
"formula_full": "Sr12 Sn4 N3",
"formula_reduced": "Sr12Sn4N3",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 0.6468874878947367,
"spacegroup": 123
},
{
"id": "jvasp-114015",
"created_at": "2022-09-04T14:38:51.952730Z",
"updated_at": "2022-09-04T14:38:51.952755Z",
"structure_string": "B1 O1\n1.0\n2.586941 -0.000000 -0.000000\n-1.293470 2.240356 0.000000\n0.000000 -0.000000 2.531807\nB O\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.333334 0.666668 0.000000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 3.0340185806400033,
"density_atomic": 0.136299995280814,
"volume": 14.673514814725209,
"volume_molar": 4.418298582911027,
"formula_full": "B1 O1",
"formula_reduced": "BO",
"formula_anonymous": "AB",
"energy_above_hull": 1.9065880416666665,
"spacegroup": 187
},
{
"id": "jvasp-122614",
"created_at": "2022-09-04T14:38:51.952023Z",
"updated_at": "2022-09-04T14:38:51.952052Z",
"structure_string": "Tb1 Sn7\n1.0\n6.763541 0.000000 -0.000000\n-0.000000 6.763541 0.000000\n-0.000000 0.000000 6.763541\nTb Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Tb\n0.257669 0.257669 0.757669 Sn\n0.000000 0.500000 0.000000 Sn\n0.257669 0.742331 0.242331 Sn\n0.500000 0.000000 0.000000 Sn\n0.742331 0.257669 0.242331 Sn\n0.500000 0.500000 0.500000 Sn\n0.742331 0.742331 0.757669 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Sn"
],
"chemical_system": "Sn-Tb",
"density": 5.312708659712979,
"density_atomic": 0.025856373101838616,
"volume": 309.40147593365015,
"volume_molar": 23.29074049280242,
"formula_full": "Tb1 Sn7",
"formula_reduced": "TbSn7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.6494900375000001,
"spacegroup": 215
},
{
"id": "jvasp-120380",
"created_at": "2022-09-04T14:38:51.950571Z",
"updated_at": "2022-09-04T14:38:51.950596Z",
"structure_string": "As2 P1\n1.0\n3.592068 0.000000 0.000000\n0.000000 2.636884 0.000000\n0.000000 0.000000 6.508296\nAs P\n2 1\ndirect\n-0.033332 0.000000 0.716741 As\n-0.033332 0.000000 0.283259 As\n0.466664 0.000000 0.000000 P\n",
"nsites": 3,
"nelements": 2,
"elements": [
"As",
"P"
],
"chemical_system": "As-P",
"density": 4.870632860394741,
"density_atomic": 0.04866518554666616,
"volume": 61.64571174034118,
"volume_molar": 12.37463844502397,
"formula_full": "As2 P1",
"formula_reduced": "As2P",
"formula_anonymous": "AB2",
"energy_above_hull": 2.337349666666667,
"spacegroup": 47
},
{
"id": "jvasp-123564",
"created_at": "2022-09-04T14:38:51.946995Z",
"updated_at": "2022-09-04T14:38:51.947008Z",
"structure_string": "Co1 P3\n1.0\n3.067861 -0.000000 -0.982367\n-0.211194 3.443156 -0.659542\n0.089068 -0.791320 5.559685\nCo P\n1 3\ndirect\n0.369487 0.854328 0.738973 Co\n0.588178 0.114670 0.176354 P\n0.143118 0.576285 0.286233 P\n0.899221 0.454720 0.798442 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Co",
"P"
],
"chemical_system": "Co-P",
"density": 4.403501330024443,
"density_atomic": 0.06985241312811476,
"volume": 57.26359077479098,
"volume_molar": 8.621235101720718,
"formula_full": "Co1 P3",
"formula_reduced": "CoP3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.03259435,
"spacegroup": 8
},
{
"id": "jvasp-119555",
"created_at": "2022-09-04T14:38:51.946909Z",
"updated_at": "2022-09-04T14:38:51.946937Z",
"structure_string": "Sr2 Ca2 I8\n1.0\n8.447022 0.001278 2.952513\n-4.387901 7.217930 2.952513\n0.004215 0.007497 7.573591\nSr Ca I\n2 2 8\ndirect\n0.636272 0.363729 0.749999 Sr\n0.363729 0.636272 0.249999 Sr\n0.001515 0.998485 0.249999 Ca\n0.998486 0.001515 0.749999 Ca\n0.640033 0.761124 0.730340 I\n0.941489 0.297644 0.411037 I\n0.297644 0.941489 0.911037 I\n0.238877 0.359968 0.769658 I\n0.761124 0.640032 0.230340 I\n0.702357 0.058511 0.088962 I\n0.058512 0.702357 0.588961 I\n0.359968 0.238877 0.269659 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 4.572592519669107,
"density_atomic": 0.026006082959317712,
"volume": 461.43050526955744,
"volume_molar": 23.156662114093308,
"formula_full": "Sr2 Ca2 I8",
"formula_reduced": "SrCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0097649999999999,
"spacegroup": 15
},
{
"id": "jvasp-120722",
"created_at": "2022-09-04T14:38:51.943560Z",
"updated_at": "2022-09-04T14:38:51.943586Z",
"structure_string": "Te12 Rh2 Br6\n1.0\n8.736720 0.089053 -2.855844\n-3.962490 7.786969 -2.855844\n0.053981 0.089053 9.191475\nTe Rh Br\n12 2 6\ndirect\n0.922519 0.169786 0.192802 Te\n0.330213 0.577481 0.307198 Te\n0.577481 0.307198 0.330213 Te\n0.830213 0.807198 0.077482 Te\n0.807198 0.077480 0.830213 Te\n0.077481 0.830213 0.807198 Te\n0.307198 0.330213 0.577481 Te\n0.422519 0.692802 0.669787 Te\n0.692802 0.669787 0.422519 Te\n0.169787 0.192801 0.922518 Te\n0.192802 0.922519 0.169787 Te\n0.669787 0.422518 0.692802 Te\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.478384 0.750000 0.021617 Br\n0.978384 0.521616 0.250000 Br\n0.250000 0.978384 0.521616 Br\n0.521616 0.249999 0.978384 Br\n0.750000 0.021616 0.478384 Br\n0.021616 0.478384 0.750000 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Te",
"Rh",
"Br"
],
"chemical_system": "Br-Rh-Te",
"density": 5.814528182232014,
"density_atomic": 0.031596601911167144,
"volume": 632.9794595073664,
"volume_molar": 19.059457016710404,
"formula_full": "Te12 Rh2 Br6",
"formula_reduced": "Te6RhBr3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.9400321915,
"spacegroup": 167
},
{
"id": "jvasp-111309",
"created_at": "2022-09-04T14:38:51.941803Z",
"updated_at": "2022-09-04T14:38:51.941830Z",
"structure_string": "Ho2 B6 Mo2\n1.0\n3.155105 0.000000 0.000000\n-0.000000 5.296811 1.118903\n-0.000000 -0.010879 6.851976\nHo B Mo\n2 6 2\ndirect\n0.250000 0.325452 0.708595 Ho\n0.749999 0.674548 0.291405 Ho\n0.250000 0.917862 0.524150 B\n0.749999 0.082138 0.475850 B\n0.250000 0.912339 0.004495 B\n0.749999 0.087661 0.995505 B\n0.250000 0.583723 0.006880 B\n0.749999 0.416277 0.993120 B\n0.250000 0.188949 0.221434 Mo\n0.749999 0.811050 0.778566 Mo\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ho",
"B",
"Mo"
],
"chemical_system": "B-Ho-Mo",
"density": 8.503668297833215,
"density_atomic": 0.08729919505104547,
"volume": 114.5485934223427,
"volume_molar": 6.898277534493579,
"formula_full": "Ho2 B6 Mo2",
"formula_reduced": "HoB3Mo",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.308307843333333,
"spacegroup": 11
},
{
"id": "jvasp-118258",
"created_at": "2022-09-04T14:38:51.941373Z",
"updated_at": "2022-09-04T14:38:51.941409Z",
"structure_string": "In2 N3 F1\n1.0\n5.665026 0.000000 0.000000\n-2.832513 4.906056 -0.000000\n0.000000 -0.000000 3.097411\nIn N F\n2 3 1\ndirect\n0.666667 0.333334 0.499999 In\n0.333334 0.666668 0.499999 In\n0.500001 0.500001 0.000000 N\n0.000001 0.500001 0.000000 N\n0.500000 -0.000000 0.000000 N\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"In",
"N",
"F"
],
"chemical_system": "F-In-N",
"density": 5.60651396886947,
"density_atomic": 0.06969762917839298,
"volume": 86.086141963923,
"volume_molar": 8.640381073201453,
"formula_full": "In2 N3 F1",
"formula_reduced": "In2N3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.8030633287499995,
"spacegroup": 191
}
]
}