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=3455",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3453",
"results": [
{
"id": "jvasp-74355",
"created_at": "2022-09-04T14:36:16.895807Z",
"updated_at": "2022-09-04T14:36:16.895830Z",
"structure_string": "Ta1 Be2 Br1\n1.0\n2.969105 0.000000 0.000000\n0.000000 2.969105 -0.000000\n-0.000000 -0.000000 7.862805\nTa Be Br\n1 2 1\ndirect\n0.499999 0.499999 0.796197 Ta\n0.000000 0.000000 0.016093 Be\n0.499999 0.499999 0.120670 Be\n0.000000 0.000000 0.567041 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Br"
],
"chemical_system": "Be-Br-Ta",
"density": 6.680854295270363,
"density_atomic": 0.057707382170669806,
"volume": 69.31522189258186,
"volume_molar": 10.435650576194039,
"formula_full": "Ta1 Be2 Br1",
"formula_reduced": "TaBe2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6606088762499995,
"spacegroup": 99
},
{
"id": "jvasp-23824",
"created_at": "2022-09-04T14:37:34.061334Z",
"updated_at": "2022-09-04T14:37:34.061346Z",
"structure_string": "Sc12 P8\n1.0\n3.780542 -0.000000 0.000000\n-0.000000 6.938226 0.000000\n0.000000 0.000000 14.383788\nSc P\n12 8\ndirect\n0.750000 0.135412 0.932434 Sc\n0.750000 0.993041 0.395307 Sc\n0.250000 0.006960 0.604693 Sc\n0.250000 0.506960 0.895307 Sc\n0.750000 0.840229 0.777641 Sc\n0.250000 0.159771 0.222360 Sc\n0.750000 0.493041 0.104693 Sc\n0.250000 0.659772 0.277641 Sc\n0.250000 0.364589 0.432434 Sc\n0.750000 0.635412 0.567567 Sc\n0.250000 0.864589 0.067566 Sc\n0.750000 0.340229 0.722360 Sc\n0.250000 0.130303 0.794700 P\n0.250000 0.758938 0.457417 P\n0.750000 0.241062 0.542583 P\n0.250000 0.258938 0.042583 P\n0.750000 0.741063 0.957417 P\n0.250000 0.630303 0.705301 P\n0.750000 0.369697 0.294700 P\n0.750000 0.869698 0.205300 P\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 3.4649109244638683,
"density_atomic": 0.0530095616447476,
"volume": 377.29042420749164,
"volume_molar": 11.360480209888133,
"formula_full": "Sc12 P8",
"formula_reduced": "Sc3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.66061335,
"spacegroup": 62
},
{
"id": "jvasp-40025",
"created_at": "2022-09-04T14:37:41.372929Z",
"updated_at": "2022-09-04T14:37:41.372952Z",
"structure_string": "Ti1 Be1 Rh2\n1.0\n0.000008 2.957578 2.957578\n2.957582 0.000002 2.957584\n2.957583 2.957585 0.000001\nTi Be Rh\n1 1 2\ndirect\n0.750000 0.750000 0.749999 Ti\n0.250000 0.250000 0.250000 Be\n-0.000000 0.000000 0.000001 Rh\n0.500000 0.500001 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Rh"
],
"chemical_system": "Be-Rh-Ti",
"density": 8.43050352617323,
"density_atomic": 0.07730731090640677,
"volume": 51.741548801802956,
"volume_molar": 7.789872250621668,
"formula_full": "Ti1 Be1 Rh2",
"formula_reduced": "TiBeRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.660715108333333,
"spacegroup": 225
},
{
"id": "jvasp-58463",
"created_at": "2022-09-04T14:38:34.215467Z",
"updated_at": "2022-09-04T14:38:34.215493Z",
"structure_string": "Ti4 Al2 O8\n1.0\n5.141406 0.042670 2.899214\n1.713298 4.847730 2.899214\n0.059808 0.042670 5.902197\nTi Al O\n4 2 8\ndirect\n0.000000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 -0.000001 Ti\n0.000000 0.000000 0.500000 Ti\n0.625007 0.625006 0.625005 Al\n0.374994 0.374994 0.374993 Al\n0.256366 0.747885 0.747884 O\n0.252115 0.252115 0.743635 O\n0.252115 0.743635 0.252114 O\n0.252117 0.252117 0.252117 O\n0.747886 0.747885 0.256363 O\n0.743636 0.252115 0.252114 O\n0.747886 0.256365 0.747884 O\n0.747884 0.747883 0.747882 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Al",
"O"
],
"chemical_system": "Al-O-Ti",
"density": 4.264168779484149,
"density_atomic": 0.09627387430317473,
"volume": 145.41847517128886,
"volume_molar": 6.255218047043333,
"formula_full": "Ti4 Al2 O8",
"formula_reduced": "Ti2AlO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.660763352380952,
"spacegroup": 227
},
{
"id": "jvasp-112510",
"created_at": "2022-09-04T14:38:40.674126Z",
"updated_at": "2022-09-04T14:38:40.674152Z",
"structure_string": "Li2 Mn2 Co2 O8\n1.0\n4.972010 -0.001882 -2.678346\n-1.640646 4.673925 -2.710689\n-0.019996 -0.106641 5.645293\nLi Mn Co O\n2 2 2 8\ndirect\n-0.000001 0.499999 -0.000001 Li\n-0.000000 0.000000 0.500000 Li\n0.499999 0.500000 0.499999 Mn\n0.500000 0.000000 -0.000000 Mn\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.499999 Co\n0.741262 0.211959 0.970801 O\n0.279272 0.757445 0.521686 O\n0.258850 0.229527 0.470799 O\n0.735752 0.757572 -0.021706 O\n0.264247 0.242427 0.021704 O\n0.741148 0.770473 0.529198 O\n0.720727 0.242555 0.478311 O\n0.258736 0.788041 0.029196 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.757296027510356,
"density_atomic": 0.10851356414349854,
"volume": 129.01612909411375,
"volume_molar": 5.549666355107746,
"formula_full": "Li2 Mn2 Co2 O8",
"formula_reduced": "LiMnCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.660793163054187,
"spacegroup": 74
},
{
"id": "jvasp-13167",
"created_at": "2022-09-04T14:38:14.535879Z",
"updated_at": "2022-09-04T14:38:14.535906Z",
"structure_string": "Co2 P2 O8\n1.0\n4.669783 -0.008740 -0.000000\n1.694780 4.351399 0.000000\n-0.000000 0.000000 6.314165\nCo P O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.351296 0.351294 0.250000 P\n0.648705 0.648704 0.750000 P\n0.709543 0.223480 0.250000 O\n0.760328 0.760330 0.547583 O\n0.239670 0.239669 0.047585 O\n0.239670 0.239669 0.452416 O\n0.776520 0.290458 0.750000 O\n0.290458 0.776521 0.750000 O\n0.760328 0.760330 0.952415 O\n0.223480 0.709543 0.250000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 3.980820302721953,
"density_atomic": 0.09345945569971131,
"volume": 128.39792303687756,
"volume_molar": 6.443586381831029,
"formula_full": "Co2 P2 O8",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6609934,
"spacegroup": 63
},
{
"id": "jvasp-80565",
"created_at": "2022-09-04T14:36:52.166657Z",
"updated_at": "2022-09-04T14:36:52.166683Z",
"structure_string": "Al2 Os1 Pd1\n1.0\n-7.159231 -1.956364 -7.495241\n-2.939263 -1.183526 -6.575647\n-3.789672 -3.512554 -5.152498\nAl Os Pd\n2 1 1\ndirect\n0.767004 -0.014118 -0.014083 Al\n0.232996 0.014119 0.014081 Al\n0.500000 0.000000 -0.000001 Os\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Os",
"Pd"
],
"chemical_system": "Al-Os-Pd",
"density": 9.899463396981945,
"density_atomic": 0.0680133924516322,
"volume": 58.811946527216755,
"volume_molar": 8.854345508912312,
"formula_full": "Al2 Os1 Pd1",
"formula_reduced": "Al2OsPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6612790750000004,
"spacegroup": 12
},
{
"id": "jvasp-72562",
"created_at": "2022-09-04T14:35:41.468554Z",
"updated_at": "2022-09-04T14:35:41.468581Z",
"structure_string": "Be2 Nb1 Se1\n1.0\n3.381284 -0.000000 -0.000000\n-0.000000 3.381284 -0.000000\n-0.000000 0.000000 4.979133\nBe Nb Se\n2 1 1\ndirect\n0.000000 0.000000 0.787997 Be\n0.000000 0.000000 0.212002 Be\n0.499999 0.499999 0.000000 Nb\n0.499999 0.499999 0.500000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Se"
],
"chemical_system": "Be-Nb-Se",
"density": 5.539057424107343,
"density_atomic": 0.0702656333733147,
"volume": 56.92683333185621,
"volume_molar": 8.570535083637447,
"formula_full": "Be2 Nb1 Se1",
"formula_reduced": "Be2NbSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6614487416666663,
"spacegroup": 123
},
{
"id": "jvasp-63963",
"created_at": "2022-09-04T14:38:11.788891Z",
"updated_at": "2022-09-04T14:38:11.788907Z",
"structure_string": "K1 Ba1 W1\n1.0\n0.000000 3.919654 3.919654\n3.919654 -0.000000 3.919654\n3.919654 3.919654 -0.000000\nK Ba W\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"W"
],
"chemical_system": "Ba-K-W",
"density": 4.967047795511067,
"density_atomic": 0.024908527962492405,
"volume": 120.44067816923747,
"volume_molar": 24.177023905500235,
"formula_full": "K1 Ba1 W1",
"formula_reduced": "KBaW",
"formula_anonymous": "ABC",
"energy_above_hull": 2.6614646566666664,
"spacegroup": 216
},
{
"id": "jvasp-89050",
"created_at": "2022-09-04T14:36:15.788229Z",
"updated_at": "2022-09-04T14:36:15.788254Z",
"structure_string": "Sr2 W2 O8\n1.0\n5.043585 -0.000052 -2.082313\n-0.859632 4.969366 -2.082070\n-0.007238 -0.008244 7.131885\nSr W O\n2 2 8\ndirect\n0.625002 0.875008 0.249999 Sr\n0.374998 0.124994 0.750002 Sr\n0.124995 0.374996 0.249993 W\n0.875005 0.625006 0.750008 W\n0.194800 0.565422 0.916274 O\n0.350841 0.694808 0.416260 O\n0.065423 0.221496 0.416289 O\n0.721484 0.850861 0.916275 O\n0.278515 0.149140 0.083727 O\n0.934577 0.778506 0.583713 O\n0.649159 0.305194 0.583742 O\n0.805199 0.434580 0.083728 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"W",
"O"
],
"chemical_system": "O-Sr-W",
"density": 6.238802223753785,
"density_atomic": 0.06719945264897267,
"volume": 178.5728830662351,
"volume_molar": 8.961591981199069,
"formula_full": "Sr2 W2 O8",
"formula_reduced": "SrWO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.661541718333334,
"spacegroup": 88
},
{
"id": "jvasp-111863",
"created_at": "2022-09-04T14:38:41.652548Z",
"updated_at": "2022-09-04T14:38:41.652564Z",
"structure_string": "Al1 Fe4 Cu3 O12\n1.0\n5.808682 0.000000 -2.053679\n-2.904342 5.030467 -2.053679\n0.000000 0.000000 6.161038\nAl Fe Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.532286 0.826821 0.705466 O\n0.294535 0.467715 0.173180 O\n0.826820 0.705466 0.532286 O\n0.878645 0.173180 0.705465 O\n0.826820 0.294535 0.121355 O\n0.705466 0.878646 0.173180 O\n0.467714 0.173180 0.294535 O\n0.705465 0.532286 0.826821 O\n0.173180 0.705466 0.878646 O\n0.294535 0.121355 0.826820 O\n0.173180 0.294535 0.467715 O\n0.121355 0.826821 0.294535 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Al",
"Fe",
"Cu",
"O"
],
"chemical_system": "Al-Cu-Fe-O",
"density": 5.838587025410244,
"density_atomic": 0.1110938972703737,
"volume": 180.02789074295586,
"volume_molar": 5.420766493899905,
"formula_full": "Al1 Fe4 Cu3 O12",
"formula_reduced": "AlFe4(CuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.6615734075000006,
"spacegroup": 204
},
{
"id": "jvasp-80557",
"created_at": "2022-09-04T14:37:16.897748Z",
"updated_at": "2022-09-04T14:37:16.897775Z",
"structure_string": "Ti1 Be2 Rh1\n1.0\n-8.302694 0.000000 -4.793562\n-5.319298 -0.931150 -0.373830\n-4.101716 2.512693 -2.482744\nTi Be Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.729756 -0.000000 -0.000000 Be\n0.270244 -0.000000 -0.000000 Be\n0.500000 -0.000000 -0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Rh"
],
"chemical_system": "Be-Rh-Ti",
"density": 5.0608603163632,
"density_atomic": 0.07222222612469766,
"volume": 55.384612391948,
"volume_molar": 8.338348294058777,
"formula_full": "Ti1 Be2 Rh1",
"formula_reduced": "TiBe2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.661660883333333,
"spacegroup": 71
}
]
}