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=-updated_at&page=4179",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4177",
"results": [
{
"id": "jvasp-94148",
"created_at": "2022-09-04T14:35:56.133924Z",
"updated_at": "2022-09-04T14:35:56.133942Z",
"structure_string": "Mg6 Cu1 Sb1\n1.0\n6.479614 -0.200422 0.000000\n-3.413378 5.511298 0.000000\n0.000000 0.000000 4.964528\nMg Cu Sb\n6 1 1\ndirect\n0.168160 0.826245 0.250000 Mg\n0.673755 0.331840 0.250000 Mg\n0.670893 0.829108 0.250000 Mg\n0.336121 0.638456 0.750000 Mg\n0.861544 0.163879 0.750000 Mg\n0.834184 0.665817 0.750000 Mg\n0.108652 0.391348 0.250000 Cu\n0.346690 0.153310 0.750000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Sb"
],
"chemical_system": "Cu-Mg-Sb",
"density": 3.162095559510405,
"density_atomic": 0.04600547101498678,
"volume": 173.892361571386,
"volume_molar": 13.090053480896268,
"formula_full": "Mg6 Cu1 Sb1",
"formula_reduced": "Mg6CuSb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-38764",
"created_at": "2022-09-04T14:35:56.133648Z",
"updated_at": "2022-09-04T14:35:56.133673Z",
"structure_string": "Zn1 Fe1 Rh2\n1.0\n0.000008 3.005307 3.005308\n3.005315 0.000004 3.005313\n3.005317 3.005312 0.000002\nZn Fe Rh\n1 1 2\ndirect\n0.749997 0.750000 0.750000 Zn\n0.249998 0.250000 0.249999 Fe\n0.499999 0.500001 0.500000 Rh\n-0.000002 1.000000 0.000001 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"Rh"
],
"chemical_system": "Fe-Rh-Zn",
"density": 10.004271946941923,
"density_atomic": 0.07368215356167568,
"volume": 54.287229765234784,
"volume_molar": 8.17313347791764,
"formula_full": "Zn1 Fe1 Rh2",
"formula_reduced": "ZnFeRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.849062975,
"spacegroup": 225
},
{
"id": "jvasp-91985",
"created_at": "2022-09-04T14:35:56.133333Z",
"updated_at": "2022-09-04T14:35:56.133367Z",
"structure_string": "Bi2 C1 O5\n1.0\n0.017352 3.926446 -0.072725\n2.086517 -2.086259 7.149018\n3.926448 0.017289 0.072837\nBi C O\n2 1 5\ndirect\n0.853172 0.678310 0.131638 Bi\n0.137262 0.322686 0.847639 Bi\n0.455659 0.000467 0.449774 C\n0.223103 0.000504 0.217091 O\n0.672233 0.161536 0.455782 O\n0.249990 0.500499 0.244403 O\n0.461539 0.839353 0.666315 O\n0.745563 0.500494 0.739974 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Bi",
"C",
"O"
],
"chemical_system": "Bi-C-O",
"density": 7.767842640425625,
"density_atomic": 0.07338342160088557,
"volume": 109.0164484767423,
"volume_molar": 8.20640497352787,
"formula_full": "Bi2 C1 O5",
"formula_reduced": "Bi2CO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.7121032625,
"spacegroup": 5
},
{
"id": "jvasp-86561",
"created_at": "2022-09-04T14:35:56.129053Z",
"updated_at": "2022-09-04T14:35:56.129076Z",
"structure_string": "Yb2 Nd2 S6\n1.0\n-0.000000 -3.955382 0.000000\n-6.874227 1.977692 -0.000000\n0.000000 0.000000 -8.837215\nYb Nd S\n2 2 6\ndirect\n0.000458 -0.000000 0.750000 Yb\n0.999542 -0.000000 0.250000 Yb\n0.250452 0.500903 0.500000 Nd\n0.749549 0.499098 0.000000 Nd\n0.360230 0.719788 0.826327 S\n0.359558 0.719788 0.173673 S\n0.639770 0.280212 0.326327 S\n0.640442 0.280212 0.673672 S\n0.892194 0.784389 0.500000 S\n0.107806 0.215611 0.000000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Nd",
"S"
],
"chemical_system": "Nd-S-Yb",
"density": 5.714822245000395,
"density_atomic": 0.04161714435103384,
"volume": 240.28558796950668,
"volume_molar": 14.470336333517318,
"formula_full": "Yb2 Nd2 S6",
"formula_reduced": "YbNdS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.0105624400000002,
"spacegroup": 63
},
{
"id": "jvasp-108014",
"created_at": "2022-09-04T14:35:56.128576Z",
"updated_at": "2022-09-04T14:35:56.128596Z",
"structure_string": "Ba2 Sc1 Ta1 O6\n1.0\n5.073546 -0.000000 2.929213\n1.691182 4.783385 2.929213\n-0.000000 -0.000000 5.858427\nBa Sc Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750001 0.749999 Ba\n0.500000 0.500000 0.499999 Sc\n0.000000 0.000000 0.000000 Ta\n0.756897 0.243103 0.243102 O\n0.243103 0.756898 0.756897 O\n0.243103 0.756898 0.243102 O\n0.756897 0.243103 0.756897 O\n0.243103 0.243103 0.756897 O\n0.756897 0.756898 0.243102 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sc",
"Ta",
"O"
],
"chemical_system": "Ba-O-Sc-Ta",
"density": 6.967404697474804,
"density_atomic": 0.07033508840816009,
"volume": 142.17654696002097,
"volume_molar": 8.562071785639963,
"formula_full": "Ba2 Sc1 Ta1 O6",
"formula_reduced": "Ba2ScTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.443013739,
"spacegroup": 225
},
{
"id": "jvasp-61495",
"created_at": "2022-09-04T14:35:56.122106Z",
"updated_at": "2022-09-04T14:35:56.122124Z",
"structure_string": "Ca1 Au5\n1.0\n-0.000000 3.921931 3.921931\n3.921931 0.000000 3.921931\n3.921931 3.921931 -0.000000\nCa Au\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Au\n0.624714 0.624714 0.125857 Au\n0.624714 0.624714 0.624714 Au\n0.125857 0.624714 0.624714 Au\n0.624714 0.125857 0.624714 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Au"
],
"chemical_system": "Au-Ca",
"density": 14.106047577639144,
"density_atomic": 0.04973033773049189,
"volume": 120.65069882525918,
"volume_molar": 12.109591518634625,
"formula_full": "Ca1 Au5",
"formula_reduced": "CaAu5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.3940067133333333,
"spacegroup": 216
},
{
"id": "jvasp-106136",
"created_at": "2022-09-04T14:35:56.116566Z",
"updated_at": "2022-09-04T14:35:56.116591Z",
"structure_string": "Ba3 Sr1 Ag4\n1.0\n4.951587 0.000000 0.000000\n0.000000 6.529558 0.085964\n0.000000 0.004218 8.519610\nBa Sr Ag\n3 1 4\ndirect\n0.500000 0.367469 0.182619 Ba\n0.000000 0.867043 0.321440 Ba\n0.000000 0.634203 0.817686 Ba\n0.500000 0.134442 0.681177 Sr\n0.500000 0.621329 0.541064 Ag\n0.500000 0.883775 0.028991 Ag\n0.000000 0.365888 0.473117 Ag\n0.000000 0.125852 0.953902 Ag\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Ag"
],
"chemical_system": "Ag-Ba-Sr",
"density": 5.612910555546304,
"density_atomic": 0.02904322939854676,
"volume": 275.4514620333611,
"volume_molar": 20.735093461408706,
"formula_full": "Ba3 Sr1 Ag4",
"formula_reduced": "Ba3SrAg4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 6
},
{
"id": "jvasp-71404",
"created_at": "2022-09-04T14:35:56.114472Z",
"updated_at": "2022-09-04T14:35:56.114493Z",
"structure_string": "Ca1 Ti1 Be2\n1.0\n3.177162 0.000000 0.000000\n0.000000 3.177162 -0.000000\n0.000000 0.000000 6.442434\nCa Ti Be\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.680543 Be\n0.000000 0.000000 0.319456 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"Be"
],
"chemical_system": "Be-Ca-Ti",
"density": 2.7058313735316757,
"density_atomic": 0.06150795586491605,
"volume": 65.03223759841428,
"volume_molar": 9.79083221888538,
"formula_full": "Ca1 Ti1 Be2",
"formula_reduced": "CaTiBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7963302383333335,
"spacegroup": 123
},
{
"id": "jvasp-99256",
"created_at": "2022-09-04T14:35:56.105717Z",
"updated_at": "2022-09-04T14:35:56.105738Z",
"structure_string": "Th2 Ge2 O8\n1.0\n4.811492 0.000000 -1.957588\n-0.796459 4.745114 -1.957588\n-0.013828 -0.016342 6.857811\nTh Ge O\n2 2 8\ndirect\n0.375000 0.125000 0.750000 Th\n0.624999 0.874999 0.249999 Th\n0.874999 0.625000 0.749999 Ge\n0.125000 0.375000 0.250000 Ge\n0.945779 0.289702 0.591089 O\n0.301386 0.445780 0.091090 O\n0.789702 0.145310 0.091090 O\n0.645309 0.801386 0.591089 O\n0.354690 0.198613 0.408910 O\n0.210297 0.854690 0.908909 O\n0.698613 0.554220 0.908909 O\n0.054219 0.710297 0.408910 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Th",
"Ge",
"O"
],
"chemical_system": "Ge-O-Th",
"density": 7.835493998712206,
"density_atomic": 0.07679343051942207,
"volume": 156.2633667858482,
"volume_molar": 7.841999920132389,
"formula_full": "Th2 Ge2 O8",
"formula_reduced": "ThGeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0586475916666664,
"spacegroup": 88
},
{
"id": "jvasp-16115",
"created_at": "2022-09-04T14:35:56.102632Z",
"updated_at": "2022-09-04T14:35:56.102649Z",
"structure_string": "Sc3 Ru1 C4\n1.0\n3.217553 -0.000000 -0.809623\n-0.374333 4.231836 -1.487650\n0.002576 -0.000270 6.808539\nSc Ru C\n3 1 4\ndirect\n0.810730 0.810730 0.621457 Sc\n0.189272 0.189271 0.378544 Sc\n0.000001 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Ru\n0.629541 0.787405 0.259080 C\n0.370460 0.212596 0.740921 C\n0.370461 0.528324 0.740921 C\n0.629541 0.471677 0.259080 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"Ru",
"C"
],
"chemical_system": "C-Ru-Sc",
"density": 5.086210117729201,
"density_atomic": 0.08628724688226225,
"volume": 92.7135850204595,
"volume_molar": 6.979178241967933,
"formula_full": "Sc3 Ru1 C4",
"formula_reduced": "Sc3RuC4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 5.23389578125,
"spacegroup": 71
},
{
"id": "jvasp-37046",
"created_at": "2022-09-04T14:35:56.099258Z",
"updated_at": "2022-09-04T14:35:56.099277Z",
"structure_string": "Ti2 In1 Co1\n1.0\n3.164022 3.164022 0.000000\n3.164022 0.000000 -3.164022\n0.000000 3.164022 -3.164022\nTi In Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 In\n0.500000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"In",
"Co"
],
"chemical_system": "Co-In-Ti",
"density": 7.063753394175855,
"density_atomic": 0.06314100817056804,
"volume": 63.35027133546028,
"volume_molar": 9.537606279158375,
"formula_full": "Ti2 In1 Co1",
"formula_reduced": "Ti2InCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5933768841666662,
"spacegroup": 216
},
{
"id": "jvasp-97968",
"created_at": "2022-09-04T14:35:56.093498Z",
"updated_at": "2022-09-04T14:35:56.093518Z",
"structure_string": "La2 P6 O18\n1.0\n7.133655 0.024868 0.000000\n-1.841597 6.891892 0.000000\n-0.000000 -0.000000 7.376673\nLa P O\n2 6 18\ndirect\n0.127534 0.127534 0.250000 La\n0.872466 0.872466 0.750000 La\n0.747341 0.747341 0.250000 P\n0.252659 0.252659 0.750000 P\n0.317359 0.665950 0.203068 P\n0.682641 0.334050 0.703068 P\n0.665950 0.317359 0.296931 P\n0.334050 0.682641 0.796931 P\n0.173665 0.781169 0.794306 O\n0.826335 0.218831 0.294307 O\n0.781170 0.173665 0.705693 O\n0.218830 0.826335 0.205693 O\n0.134319 0.177994 0.917087 O\n0.253145 0.470680 0.705213 O\n0.822007 0.865681 0.082913 O\n0.621331 0.378669 0.500000 O\n0.378669 0.621331 0.000000 O\n0.477123 0.220397 0.210536 O\n0.522877 0.779603 0.710536 O\n0.220397 0.477122 0.289464 O\n0.779604 0.522878 0.789463 O\n0.529320 0.746855 0.294786 O\n0.470680 0.253146 0.794786 O\n0.746855 0.529320 0.205214 O\n0.177994 0.134319 0.582913 O\n0.865681 0.822006 0.417087 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"La",
"P",
"O"
],
"chemical_system": "La-O-P",
"density": 3.4383104891184115,
"density_atomic": 0.07162388790373687,
"volume": 363.0073814890393,
"volume_molar": 8.408005954792358,
"formula_full": "La2 P6 O18",
"formula_reduced": "La(PO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 2.869974076923077,
"spacegroup": 20
}
]
}