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=627",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=625",
"results": [
{
"id": "jvasp-41809",
"created_at": "2022-09-04T14:37:34.423480Z",
"updated_at": "2022-09-04T14:37:34.423505Z",
"structure_string": "Li1 Tm1 Tl2\n1.0\n-0.000000 3.622024 3.622024\n3.622024 -0.000000 3.622024\n3.622024 3.622024 0.000000\nLi Tm Tl\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Li\n0.750000 0.750000 0.750000 Tm\n0.499998 0.499998 0.499998 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tm",
"Tl"
],
"chemical_system": "Li-Tl-Tm",
"density": 10.215391160345519,
"density_atomic": 0.042089718836441026,
"volume": 95.03508482781368,
"volume_molar": 14.307866449290858,
"formula_full": "Li1 Tm1 Tl2",
"formula_reduced": "LiTmTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1101048625,
"spacegroup": 225
},
{
"id": "jvasp-65624",
"created_at": "2022-09-04T14:36:06.862292Z",
"updated_at": "2022-09-04T14:36:06.862311Z",
"structure_string": "Ba2 Ca1 Ni1\n1.0\n-0.000000 4.148434 4.148434\n4.148434 -0.000000 4.148434\n4.148434 4.148434 -0.000000\nBa Ca Ni\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.499999 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ni"
],
"chemical_system": "Ba-Ca-Ni",
"density": 4.342805724253809,
"density_atomic": 0.02801414941118424,
"volume": 142.7849884459836,
"volume_molar": 21.49678247091717,
"formula_full": "Ba2 Ca1 Ni1",
"formula_reduced": "Ba2CaNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.11015119,
"spacegroup": 225
},
{
"id": "jvasp-117593",
"created_at": "2022-09-04T14:38:53.458938Z",
"updated_at": "2022-09-04T14:38:53.458958Z",
"structure_string": "Ba1 Pb1 F1\n1.0\n5.598299 -0.000000 -0.000000\n-2.799150 4.848269 0.000000\n-0.000000 -0.000000 3.715341\nBa Pb F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333333 0.000000 Pb\n0.333333 0.666666 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Pb",
"F"
],
"chemical_system": "Ba-F-Pb",
"density": 5.9860781719969465,
"density_atomic": 0.029749507226118556,
"volume": 100.84200646409876,
"volume_molar": 20.242825248254423,
"formula_full": "Ba1 Pb1 F1",
"formula_reduced": "BaPbF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1101994649999999,
"spacegroup": 187
},
{
"id": "jvasp-22934",
"created_at": "2022-09-04T14:38:12.743062Z",
"updated_at": "2022-09-04T14:38:12.743082Z",
"structure_string": "Sm4 Pt4 F28\n1.0\n0.000000 8.993495 0.021499\n5.486786 0.000000 0.000000\n0.000000 -5.675333 -10.758330\nSm Pt F\n4 4 28\ndirect\n0.812041 0.762589 0.236780 Sm\n0.187958 0.262589 0.263220 Sm\n0.187958 0.237412 0.763220 Sm\n0.812041 0.737412 0.736780 Sm\n0.271876 0.757304 0.041766 Pt\n0.728124 0.257303 0.458234 Pt\n0.728124 0.242697 0.958234 Pt\n0.271876 0.742697 0.541766 Pt\n0.025149 0.749581 0.451426 F\n0.719171 0.954824 0.369471 F\n0.280828 0.454823 0.130529 F\n0.280829 0.045177 0.630529 F\n0.719171 0.545178 0.869471 F\n0.742186 0.434308 0.323496 F\n0.257814 0.565693 0.676504 F\n0.257814 0.934309 0.176504 F\n0.974851 0.249581 0.048574 F\n0.962985 0.392803 0.770595 F\n0.037015 0.892803 0.729405 F\n0.742186 0.065692 0.823496 F\n0.974851 0.250419 0.548574 F\n0.482238 0.280044 0.364148 F\n0.517761 0.719957 0.635852 F\n0.482238 0.219956 0.864148 F\n0.037014 0.607198 0.229405 F\n0.517761 0.780044 0.135852 F\n0.270457 0.066884 0.960116 F\n0.729543 0.566884 0.539884 F\n0.729543 0.933117 0.039884 F\n0.270457 0.433117 0.460116 F\n0.706681 0.074257 0.588721 F\n0.293319 0.574257 0.911279 F\n0.293319 0.925744 0.411279 F\n0.706680 0.425744 0.088721 F\n0.025149 0.750420 0.951426 F\n0.962985 0.107198 0.270595 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sm",
"Pt",
"F"
],
"chemical_system": "F-Pt-Sm",
"density": 5.99358531664641,
"density_atomic": 0.06789833698865497,
"volume": 530.2044438292382,
"volume_molar": 8.869349423103294,
"formula_full": "Sm4 Pt4 F28",
"formula_reduced": "SmPtF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.1102135836111111,
"spacegroup": 14
},
{
"id": "jvasp-15062",
"created_at": "2022-09-04T14:36:43.738138Z",
"updated_at": "2022-09-04T14:36:43.738160Z",
"structure_string": "Y1 Cu5\n1.0\n2.521265 -4.366958 -0.000000\n2.521265 4.366958 0.000000\n0.000000 0.000000 4.098122\nY Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Y\n0.333332 0.666666 0.000000 Cu\n0.666666 0.333332 0.000000 Cu\n0.500000 -0.000001 0.500000 Cu\n0.499999 0.499999 0.500000 Cu\n-0.000001 0.500000 0.500000 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Cu"
],
"chemical_system": "Cu-Y",
"density": 7.482425012256886,
"density_atomic": 0.06648732520587283,
"volume": 90.24276403692683,
"volume_molar": 9.05757712669732,
"formula_full": "Y1 Cu5",
"formula_reduced": "YCu5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.1104146166666666,
"spacegroup": 191
},
{
"id": "jvasp-102507",
"created_at": "2022-09-04T14:37:12.882507Z",
"updated_at": "2022-09-04T14:37:12.882527Z",
"structure_string": "Li2 Tl1 Hg1\n1.0\n4.152417 -0.000000 2.397399\n1.384139 3.914937 2.397399\n-0.000000 -0.000000 4.794798\nLi Tl Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750001 0.750000 Li\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tl",
"Hg"
],
"chemical_system": "Hg-Li-Tl",
"density": 8.923126688995731,
"density_atomic": 0.051317316466106704,
"volume": 77.9463985152431,
"volume_molar": 11.735104589846223,
"formula_full": "Li2 Tl1 Hg1",
"formula_reduced": "Li2TlHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.110462825,
"spacegroup": 225
},
{
"id": "jvasp-30597",
"created_at": "2022-09-04T14:37:29.658165Z",
"updated_at": "2022-09-04T14:37:29.658190Z",
"structure_string": "Bi1 F5\n1.0\n3.664617 -0.000000 1.347629\n1.149701 4.738798 2.530034\n0.101897 1.109729 5.379332\nBi F\n1 5\ndirect\n0.000000 0.000000 0.000000 Bi\n0.500000 0.760732 0.239268 F\n0.500001 0.239269 0.760731 F\n0.777268 0.222733 0.222732 F\n0.222733 0.777269 0.777266 F\n0.000000 0.500001 0.499999 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Bi",
"F"
],
"chemical_system": "Bi-F",
"density": 5.994999548716329,
"density_atomic": 0.07126185650539267,
"volume": 84.19651541839856,
"volume_molar": 8.45072112251844,
"formula_full": "Bi1 F5",
"formula_reduced": "BiF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.1105550941666666,
"spacegroup": 71
},
{
"id": "jvasp-8283",
"created_at": "2022-09-04T14:36:40.577070Z",
"updated_at": "2022-09-04T14:36:40.577097Z",
"structure_string": "Bi1 F5\n1.0\n3.664616 -0.000000 1.347629\n1.149691 4.738806 2.530062\n0.101892 1.109757 5.379345\nBi F\n1 5\ndirect\n0.000000 0.000000 0.000000 Bi\n0.500000 0.760732 0.239268 F\n0.500000 0.239270 0.760730 F\n0.777269 0.222732 0.222731 F\n0.222730 0.777270 0.777267 F\n-0.000001 0.500001 0.499999 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Bi",
"F"
],
"chemical_system": "Bi-F",
"density": 5.994996233439973,
"density_atomic": 0.07126181709709145,
"volume": 84.19656197968168,
"volume_molar": 8.450725795828454,
"formula_full": "Bi1 F5",
"formula_reduced": "BiF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.1105550941666666,
"spacegroup": 71
},
{
"id": "jvasp-102646",
"created_at": "2022-09-04T14:36:41.854107Z",
"updated_at": "2022-09-04T14:36:41.854135Z",
"structure_string": "Zn5 Se1 S4\n1.0\n3.847116 0.000674 -13.463367\n-0.074831 3.846388 -13.463367\n-0.000661 -0.000674 14.002234\nZn Se S\n5 1 4\ndirect\n0.304425 0.304425 0.000000 Zn\n0.695576 0.695575 0.000000 Zn\n0.097666 0.097666 0.000000 Zn\n0.500001 0.500000 0.000000 Zn\n0.902336 0.902334 0.000001 Zn\n0.250001 0.750001 0.500001 Se\n0.646613 0.146612 0.500001 S\n0.048837 0.548837 0.500001 S\n0.451165 0.951164 0.500001 S\n0.853389 0.353388 0.500001 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Se",
"S"
],
"chemical_system": "S-Se-Zn",
"density": 4.283166849150343,
"density_atomic": 0.04827910058316164,
"volume": 207.12896220539187,
"volume_molar": 12.4735976587359,
"formula_full": "Zn5 Se1 S4",
"formula_reduced": "Zn5SeS4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.1105731200000001,
"spacegroup": 119
},
{
"id": "jvasp-114984",
"created_at": "2022-09-04T14:38:41.430352Z",
"updated_at": "2022-09-04T14:38:41.430370Z",
"structure_string": "Ge1 Cl2\n1.0\n4.650446 0.000000 -0.831177\n0.000000 3.837426 0.000000\n-0.889325 0.000000 5.983627\nGe Cl\n1 2\ndirect\n0.598173 0.000000 0.147180 Ge\n-0.247396 0.000000 -0.162674 Cl\n0.049223 0.000000 0.415493 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge",
"density": 2.2931565027177028,
"density_atomic": 0.02886122479661085,
"volume": 103.94569257338959,
"volume_molar": 20.865853069087958,
"formula_full": "Ge1 Cl2",
"formula_reduced": "GeCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1105846949999999,
"spacegroup": 6
},
{
"id": "jvasp-41252",
"created_at": "2022-09-04T14:37:35.959582Z",
"updated_at": "2022-09-04T14:37:35.959605Z",
"structure_string": "Mg4 Cu2\n1.0\n-4.146415 3.196924 -0.278048\n0.000337 -6.393389 -0.000228\n-1.116483 3.196919 4.003065\nMg Cu\n4 2\ndirect\n0.914673 0.082284 0.081326 Mg\n0.251996 0.084383 0.418671 Mg\n0.414674 0.747052 0.581326 Mg\n0.751994 0.419614 0.918669 Mg\n0.333335 0.583336 -0.000001 Cu\n0.833333 0.583331 0.499998 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg",
"density": 3.4457595780255046,
"density_atomic": 0.05550532083301519,
"volume": 108.09774468380574,
"volume_molar": 10.849663905406997,
"formula_full": "Mg4 Cu2",
"formula_reduced": "Mg2Cu",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1107041025641025,
"spacegroup": 140
},
{
"id": "jvasp-78748",
"created_at": "2022-09-04T14:37:09.309154Z",
"updated_at": "2022-09-04T14:37:09.309173Z",
"structure_string": "Na1 Li1 Te1\n1.0\n4.211717 0.000000 2.431635\n1.403906 3.970844 2.431635\n-0.000000 -0.000000 4.863270\nNa Li Te\n1 1 1\ndirect\n0.250001 0.250000 0.250000 Na\n0.500001 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Li",
"Te"
],
"chemical_system": "Li-Na-Te",
"density": 3.216207812373535,
"density_atomic": 0.036885091569239414,
"volume": 81.3336736434151,
"volume_molar": 16.32676104028493,
"formula_full": "Na1 Li1 Te1",
"formula_reduced": "NaLiTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1107866666666666,
"spacegroup": 216
}
]
}