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=1229",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1227",
"results": [
{
"id": "jvasp-119300",
"created_at": "2022-09-04T14:38:50.409397Z",
"updated_at": "2022-09-04T14:38:50.409427Z",
"structure_string": "Ni1 N2 F14\n1.0\n5.757202 0.046412 -3.233788\n-1.950707 5.416850 -3.233788\n-0.032337 -0.046412 6.603159\nNi N F\n1 2 14\ndirect\n0.000000 0.000000 0.000000 Ni\n0.749999 0.250000 0.499999 N\n0.249999 0.750000 0.500000 N\n0.252781 0.688178 0.274493 F\n0.586316 0.021712 0.274493 F\n0.021712 0.747219 0.435396 F\n0.311822 0.586316 0.564603 F\n0.747218 0.311822 0.725506 F\n0.805314 0.805314 -0.000001 F\n0.194686 0.194686 -0.000000 F\n0.761640 0.866028 0.627669 F\n0.866028 0.238359 0.104387 F\n0.133971 0.761641 0.895612 F\n0.238359 0.133972 0.372330 F\n0.413683 0.978288 0.725506 F\n0.688177 0.413684 0.435396 F\n0.978287 0.252781 0.564603 F\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ni",
"N",
"F"
],
"chemical_system": "F-N-Ni",
"density": 2.8595335831789215,
"density_atomic": 0.08300585356029529,
"volume": 204.80483328385068,
"volume_molar": 7.255079613904012,
"formula_full": "Ni1 N2 F14",
"formula_reduced": "Ni(NF7)2",
"formula_anonymous": "AB2C14",
"energy_above_hull": 0.6419784032352941,
"spacegroup": 87
},
{
"id": "jvasp-17197",
"created_at": "2022-09-04T14:37:47.390170Z",
"updated_at": "2022-09-04T14:37:47.390197Z",
"structure_string": "Y2 Cu2 Sn2\n1.0\n2.267291 -3.927063 -0.000000\n2.267291 3.927063 0.000000\n-0.000000 0.000000 7.308342\nY Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.000183 Y\n0.000000 0.000000 0.500182 Y\n0.666667 0.333333 0.680061 Cu\n0.333333 0.666667 0.180061 Cu\n0.333333 0.666667 0.770155 Sn\n0.666667 0.333333 0.270155 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn-Y",
"density": 6.919643031016574,
"density_atomic": 0.046102795459024355,
"volume": 130.143952015507,
"volume_molar": 13.062419968334481,
"formula_full": "Y2 Cu2 Sn2",
"formula_reduced": "YCuSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6420692,
"spacegroup": 186
},
{
"id": "jvasp-3420",
"created_at": "2022-09-04T14:36:11.932442Z",
"updated_at": "2022-09-04T14:36:11.932458Z",
"structure_string": "In2 Ag2 S4\n1.0\n5.371225 0.000000 -2.449032\n-1.116647 5.253871 -2.449032\n-0.016079 -0.019855 7.079347\nIn Ag S\n2 2 4\ndirect\n0.499999 0.500000 0.000000 In\n0.749999 0.249999 0.500000 In\n0.249999 0.749999 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.866905 0.875000 0.250000 S\n0.624999 0.133093 0.750000 S\n0.383093 0.375000 0.250000 S\n0.124999 0.616906 0.750000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"Ag",
"S"
],
"chemical_system": "Ag-In-S",
"density": 4.780506017228005,
"density_atomic": 0.040149587296286406,
"volume": 199.2548501423812,
"volume_molar": 14.99925943337657,
"formula_full": "In2 Ag2 S4",
"formula_reduced": "InAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6424068075,
"spacegroup": 122
},
{
"id": "jvasp-71257",
"created_at": "2022-09-04T14:36:02.370349Z",
"updated_at": "2022-09-04T14:36:02.370374Z",
"structure_string": "Be1 Hg1 Sb1\n1.0\n2.083586 -3.608877 0.000000\n2.083586 3.608877 -0.000000\n0.000000 0.000000 4.735689\nBe Hg Sb\n1 1 1\ndirect\n0.000000 -0.000000 0.833613 Be\n0.666668 0.333334 0.333213 Hg\n0.333334 0.666668 0.833174 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Sb"
],
"chemical_system": "Be-Hg-Sb",
"density": 7.7260116418042655,
"density_atomic": 0.04212351212404447,
"volume": 71.21913270587838,
"volume_molar": 14.296388065330644,
"formula_full": "Be1 Hg1 Sb1",
"formula_reduced": "BeHgSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6427089333333332,
"spacegroup": 187
},
{
"id": "jvasp-24464",
"created_at": "2022-09-04T14:38:19.270690Z",
"updated_at": "2022-09-04T14:38:19.270706Z",
"structure_string": "Ni1 N2 F14\n1.0\n5.818702 -0.052507 -3.221716\n-3.784958 5.465394 -0.207540\n-0.036364 0.052507 6.650972\nNi N F\n1 2 14\ndirect\n0.000000 0.000000 0.000000 Ni\n0.499999 0.749999 0.249999 N\n0.500000 0.250000 0.750000 N\n0.721085 0.410016 0.976326 F\n0.367667 0.236445 0.131221 F\n0.894776 0.131222 0.763554 F\n0.105223 0.868778 0.236445 F\n0.632333 0.763554 0.868777 F\n0.000000 0.194497 0.194496 F\n0.566310 0.976326 0.255240 F\n0.721084 0.744759 0.311068 F\n0.566311 0.311069 0.589983 F\n0.433690 0.023673 0.744759 F\n0.278914 0.589983 0.023673 F\n0.278915 0.255241 0.688931 F\n0.433689 0.688930 0.410015 F\n0.000000 0.805503 0.805503 F\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ni",
"N",
"F"
],
"chemical_system": "F-N-Ni",
"density": 2.7854483453862,
"density_atomic": 0.08085532508412122,
"volume": 210.25207656160356,
"volume_molar": 7.4480447066839615,
"formula_full": "Ni1 N2 F14",
"formula_reduced": "Ni(NF7)2",
"formula_anonymous": "AB2C14",
"energy_above_hull": 0.6427701679411764,
"spacegroup": 87
},
{
"id": "jvasp-108060",
"created_at": "2022-09-04T14:38:27.507183Z",
"updated_at": "2022-09-04T14:38:27.507206Z",
"structure_string": "Tl2 Bi2 Te3 Se1\n1.0\n5.879133 -0.044289 -5.343868\n-1.149669 5.728666 -5.383655\n0.020508 0.044289 7.944854\nTl Bi Te Se\n2 2 3 1\ndirect\n0.498608 0.998609 0.500001 Tl\n0.240302 0.240302 0.000000 Tl\n0.997507 0.497508 0.500000 Bi\n0.762100 0.762101 0.000000 Bi\n0.760244 0.260244 0.500000 Te\n0.511815 0.511815 0.000000 Te\n0.240477 0.740478 0.500001 Te\n0.985094 0.985095 0.000000 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Tl",
"Bi",
"Te",
"Se"
],
"chemical_system": "Bi-Se-Te-Tl",
"density": 7.939631242534934,
"density_atomic": 0.02968663997276957,
"volume": 269.4814909109989,
"volume_molar": 20.2856933810087,
"formula_full": "Tl2 Bi2 Te3 Se1",
"formula_reduced": "Tl2Bi2Te3Se",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.6427863083333334,
"spacegroup": 44
},
{
"id": "jvasp-8550",
"created_at": "2022-09-04T14:37:04.764310Z",
"updated_at": "2022-09-04T14:37:04.764334Z",
"structure_string": "In1 Ni3\n1.0\n3.743186 -0.000000 0.000000\n-0.000000 3.743186 0.000000\n-0.000000 -0.000000 3.743186\nIn Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.500001 0.000000 0.500001 Ni\n0.000000 0.500001 0.500001 Ni\n0.500001 0.500001 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 9.210133129180923,
"density_atomic": 0.07626684268439501,
"volume": 52.44743140282692,
"volume_molar": 7.8961453602067,
"formula_full": "In1 Ni3",
"formula_reduced": "InNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6430092925,
"spacegroup": 221
},
{
"id": "jvasp-23375",
"created_at": "2022-09-04T14:37:35.092845Z",
"updated_at": "2022-09-04T14:37:35.092864Z",
"structure_string": "Te16 Au8\n1.0\n4.457702 0.000000 0.000000\n0.000000 8.923832 0.000000\n0.000000 0.000000 16.891335\nTe Au\n16 8\ndirect\n0.454590 0.027594 0.380986 Te\n0.916035 0.695472 0.506961 Te\n0.916035 0.304528 0.493039 Te\n0.916035 0.304528 0.006961 Te\n0.916035 0.695472 0.993039 Te\n0.094425 0.370150 0.250000 Te\n0.011908 0.023043 0.750000 Te\n0.011908 0.976957 0.250000 Te\n0.094425 0.629850 0.750000 Te\n0.513426 0.359942 0.870624 Te\n0.513426 0.359942 0.629375 Te\n0.513426 0.640058 0.370624 Te\n0.454590 0.027594 0.119014 Te\n0.454590 0.972406 0.880986 Te\n0.454590 0.972406 0.619014 Te\n0.513426 0.640058 0.129375 Te\n0.960807 0.000000 0.500000 Au\n0.492740 0.332876 0.373942 Au\n0.492740 0.667124 0.626058 Au\n0.492740 0.667124 0.873941 Au\n0.492740 0.332876 0.126058 Au\n0.009273 0.328223 0.750000 Au\n0.009273 0.671777 0.250000 Au\n0.960807 0.000000 0.000000 Au\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Te",
"Au"
],
"chemical_system": "Au-Te",
"density": 8.93945702398118,
"density_atomic": 0.03571781212444488,
"volume": 671.9336536174528,
"volume_molar": 16.86032934777243,
"formula_full": "Te16 Au8",
"formula_reduced": "Te2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6430677011111112,
"spacegroup": 28
},
{
"id": "jvasp-118217",
"created_at": "2022-09-04T14:38:52.951335Z",
"updated_at": "2022-09-04T14:38:52.951356Z",
"structure_string": "Cu1 I1 O1\n1.0\n4.394354 -0.000000 0.000000\n-2.197177 3.805622 -0.000000\n-0.000000 0.000000 3.941422\nCu I O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.333333 0.666667 0.000000 I\n0.666667 0.333333 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cu",
"I",
"O"
],
"chemical_system": "Cu-I-O",
"density": 5.201038707638668,
"density_atomic": 0.04551427502439099,
"volume": 65.91338647912787,
"volume_molar": 13.231323044852962,
"formula_full": "Cu1 I1 O1",
"formula_reduced": "CuIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6431167416666669,
"spacegroup": 187
},
{
"id": "jvasp-79622",
"created_at": "2022-09-04T14:36:50.221661Z",
"updated_at": "2022-09-04T14:36:50.221693Z",
"structure_string": "Li1 Mg2 Si1\n1.0\n-3.307946 -3.307946 -0.000000\n-3.307946 -0.000000 -3.307946\n0.000000 -3.307946 -3.307946\nLi Mg Si\n1 2 1\ndirect\n0.500001 0.500001 0.500001 Li\n0.250000 0.250000 0.250000 Mg\n0.750001 0.750001 0.750001 Mg\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Si"
],
"chemical_system": "Li-Mg-Si",
"density": 1.9184024392451788,
"density_atomic": 0.05525285982772711,
"volume": 72.39444279394044,
"volume_molar": 10.899238118671924,
"formula_full": "Li1 Mg2 Si1",
"formula_reduced": "LiMg2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6431214333333334,
"spacegroup": 225
},
{
"id": "jvasp-12383",
"created_at": "2022-09-04T14:38:12.654989Z",
"updated_at": "2022-09-04T14:38:12.655005Z",
"structure_string": "In4 Ag4 S8\n1.0\n6.790024 0.000000 0.000000\n0.000000 7.080071 0.000000\n0.000000 0.000000 8.299552\nIn Ag S\n4 4 8\ndirect\n0.614493 0.077436 0.125818 In\n0.114493 0.922563 0.874182 In\n0.114493 0.422563 0.625818 In\n0.614493 0.577436 0.374182 In\n0.120935 0.910455 0.375026 Ag\n0.620935 0.589545 0.875026 Ag\n0.620935 0.089545 0.624974 Ag\n0.120935 0.410455 0.124974 Ag\n0.983609 0.573611 0.376520 S\n0.483609 0.426388 0.623480 S\n0.483609 0.926388 0.876520 S\n0.983609 0.073611 0.123480 S\n0.995962 0.587745 0.873957 S\n0.995962 0.087745 0.626042 S\n0.495962 0.912255 0.373957 S\n0.495962 0.412255 0.126043 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"In",
"Ag",
"S"
],
"chemical_system": "Ag-In-S",
"density": 4.7747341292935195,
"density_atomic": 0.04010111148271042,
"volume": 398.99143461144195,
"volume_molar": 15.017391132902747,
"formula_full": "In4 Ag4 S8",
"formula_reduced": "InAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6431743075,
"spacegroup": 33
},
{
"id": "jvasp-72476",
"created_at": "2022-09-04T14:36:01.689188Z",
"updated_at": "2022-09-04T14:36:01.689215Z",
"structure_string": "In4 Ag4 S8\n1.0\n7.079751 0.000000 0.000000\n0.000000 8.299554 0.000000\n0.000000 0.000000 6.790822\nIn Ag S\n4 4 8\ndirect\n0.077303 0.625748 0.994563 In\n0.922697 0.374251 0.494563 In\n0.422697 0.125749 0.494563 In\n0.577303 0.874251 0.994563 In\n0.089582 0.124807 0.001046 Ag\n0.910418 0.875193 0.501046 Ag\n0.410418 0.624806 0.501046 Ag\n0.589581 0.375193 0.001046 Ag\n0.087848 0.126097 0.376033 S\n0.912152 0.873903 0.876033 S\n0.412152 0.626097 0.876033 S\n0.587848 0.373903 0.376033 S\n0.073566 0.623589 0.363657 S\n0.926434 0.376411 0.863657 S\n0.426434 0.123589 0.863657 S\n0.573566 0.876411 0.363657 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"In",
"Ag",
"S"
],
"chemical_system": "Ag-In-S",
"density": 4.774387681803192,
"density_atomic": 0.040098201806683165,
"volume": 399.0203869275076,
"volume_molar": 15.01848085116947,
"formula_full": "In4 Ag4 S8",
"formula_reduced": "InAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6431793075000001,
"spacegroup": 33
}
]
}