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=1191",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1189",
"results": [
{
"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-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-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-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-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-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-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-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-45178",
"created_at": "2022-09-04T14:37:59.212734Z",
"updated_at": "2022-09-04T14:37:59.212757Z",
"structure_string": "Li6 Fe2 Si2 B2 O14\n1.0\n0.000000 4.995538 0.064010\n6.151458 0.000000 0.000000\n0.000000 -0.744487 -8.241282\nLi Fe Si B O\n6 2 2 2 14\ndirect\n0.237427 0.750000 0.103837 Li\n0.747153 0.002406 0.247948 Li\n0.747153 0.497595 0.247948 Li\n0.252847 0.502406 0.752052 Li\n0.252847 0.997595 0.752052 Li\n0.762573 0.250000 0.896163 Li\n0.200747 0.250000 0.314480 Fe\n0.799253 0.750000 0.685520 Fe\n0.725072 0.250000 0.570985 Si\n0.274927 0.750000 0.429015 Si\n0.292113 0.250000 0.038067 B\n0.707887 0.750000 0.961933 B\n0.519672 0.750000 0.823580 O\n0.818937 0.051555 0.699150 O\n0.818937 0.448445 0.699150 O\n0.396214 0.250000 0.522610 O\n0.130754 0.750000 0.595910 O\n0.869246 0.250000 0.404089 O\n0.636263 0.750000 0.113766 O\n0.181063 0.551555 0.300850 O\n0.181063 0.948446 0.300850 O\n0.480328 0.250000 0.176420 O\n0.032405 0.250000 0.086751 O\n0.967595 0.750000 0.913248 O\n0.603786 0.750000 0.477390 O\n0.363737 0.250000 0.886234 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Si",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O-Si",
"density": 2.987607084927368,
"density_atomic": 0.10278298775924667,
"volume": 252.9601499900061,
"volume_molar": 5.859083191963575,
"formula_full": "Li6 Fe2 Si2 B2 O14",
"formula_reduced": "Li3FeSiBO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.6605285525641023,
"spacegroup": 11
},
{
"id": "jvasp-111117",
"created_at": "2022-09-04T14:38:37.047523Z",
"updated_at": "2022-09-04T14:38:37.047551Z",
"structure_string": "Mo1 S2\n1.0\n3.224750 -0.000000 0.000000\n-1.612376 2.792715 0.000000\n0.000000 0.000000 6.031039\nMo S\n1 2\ndirect\n0.000000 0.000000 0.500000 Mo\n0.333333 0.666668 0.239607 S\n0.666666 0.333334 0.760393 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mo",
"S"
],
"chemical_system": "Mo-S",
"density": 4.893777686610577,
"density_atomic": 0.05523399404092076,
"volume": 54.3143774425839,
"volume_molar": 10.902960875033635,
"formula_full": "Mo1 S2",
"formula_reduced": "MoS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.660355299999999,
"spacegroup": 164
},
{
"id": "jvasp-116765",
"created_at": "2022-09-04T14:38:52.841260Z",
"updated_at": "2022-09-04T14:38:52.841296Z",
"structure_string": "Sr2 La4 Mn4 O14\n1.0\n5.358649 -0.000211 -1.453666\n-0.000220 5.485541 0.000026\n-0.018072 0.000043 10.535704\nSr La Mn O\n2 4 4 14\ndirect\n0.676733 0.000087 0.364817 Sr\n0.188134 0.500021 0.364896 Sr\n0.505243 -0.000081 0.007019 La\n0.002622 0.499980 0.007304 La\n0.827923 0.499933 0.633846 La\n0.305276 0.000139 0.633805 La\n0.901437 -0.000026 0.806677 Mn\n0.096075 -0.000025 0.197086 Mn\n0.405073 0.500010 0.806681 Mn\n0.601252 0.500035 0.197072 Mn\n0.335808 0.249855 0.171093 O\n0.849307 0.750115 0.198582 O\n0.643072 0.250011 0.786303 O\n0.162717 0.749872 0.825822 O\n0.163061 0.249902 0.826099 O\n0.642719 0.750171 0.785995 O\n0.255478 0.499593 0.606248 O\n0.948448 -0.000355 0.995388 O\n0.232147 -0.000001 0.407024 O\n0.674833 0.499979 0.407045 O\n0.335623 0.749907 0.171203 O\n0.850471 0.000323 0.606227 O\n0.547082 0.500399 0.995369 O\n0.849469 0.250148 0.198394 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 6.300934766148031,
"density_atomic": 0.07753093802275901,
"volume": 309.5538453688624,
"volume_molar": 7.767403456710682,
"formula_full": "Sr2 La4 Mn4 O14",
"formula_reduced": "SrLa2Mn2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.660260441063219,
"spacegroup": 40
},
{
"id": "jvasp-42468",
"created_at": "2022-09-04T14:36:43.905593Z",
"updated_at": "2022-09-04T14:36:43.905620Z",
"structure_string": "Sm1 Fe2 O4\n1.0\n3.540291 0.000202 0.001078\n1.769716 3.066014 0.017694\n1.767856 0.976356 8.137747\nSm Fe O\n1 2 4\ndirect\n-0.003223 -0.003175 0.009620 Sm\n0.209736 0.209880 0.370622 Fe\n0.789799 0.789441 0.631058 Fe\n0.130914 0.130687 0.607524 O\n0.287116 0.287219 0.138549 O\n0.710397 0.710435 0.868745 O\n0.875269 0.875513 0.373883 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sm",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sm",
"density": 6.134052696838029,
"density_atomic": 0.07930771503199949,
"volume": 88.26379624196213,
"volume_molar": 7.593385785443642,
"formula_full": "Sm1 Fe2 O4",
"formula_reduced": "Sm(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.660071982142857,
"spacegroup": 160
}
]
}