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=4349",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4347",
"results": [
{
"id": "jvasp-40377",
"created_at": "2022-09-04T14:37:48.213693Z",
"updated_at": "2022-09-04T14:37:48.213716Z",
"structure_string": "Dy1 Pa1 Tc2\n1.0\n0.000000 3.426093 3.426093\n3.426093 -0.000000 3.426093\n3.426093 3.426093 0.000000\nDy Pa Tc\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Dy\n0.750000 0.750000 0.750000 Pa\n0.000000 0.000000 0.000000 Tc\n0.500001 0.500001 0.500001 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Pa",
"Tc"
],
"chemical_system": "Dy-Pa-Tc",
"density": 12.171158025676196,
"density_atomic": 0.049731613871003354,
"volume": 80.43173524139844,
"volume_molar": 12.10928077986885,
"formula_full": "Dy1 Pa1 Tc2",
"formula_reduced": "DyPaTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.22350315,
"spacegroup": 225
},
{
"id": "jvasp-71836",
"created_at": "2022-09-04T14:35:48.617913Z",
"updated_at": "2022-09-04T14:35:48.617942Z",
"structure_string": "Be1 Cr2 Tc1\n1.0\n-1.645155 1.645155 4.240680\n1.645155 -1.645155 4.240680\n1.645155 1.645155 -4.240680\nBe Cr Tc\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.250000 0.749999 0.499999 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Tc"
],
"chemical_system": "Be-Cr-Tc",
"density": 7.631878279627552,
"density_atomic": 0.08712661764339404,
"volume": 45.91019493459334,
"volume_molar": 6.911941405379003,
"formula_full": "Be1 Cr2 Tc1",
"formula_reduced": "BeCr2Tc",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.2236506,
"spacegroup": 139
},
{
"id": "jvasp-112077",
"created_at": "2022-09-04T14:38:42.435091Z",
"updated_at": "2022-09-04T14:38:42.435116Z",
"structure_string": "Sn1 H10 C6 O6\n1.0\n4.876555 -0.044580 1.051379\n0.176154 5.295751 0.871082\n0.153592 -0.258331 8.275980\nSn H C O\n1 10 6 6\ndirect\n0.603698 0.697685 0.697275 Sn\n0.880299 0.032965 0.043654 H\n0.007345 0.850924 0.202065 H\n0.607942 0.515328 0.170246 H\n0.268076 0.603824 0.269531 H\n0.199007 0.140305 0.401620 H\n0.503040 0.070118 0.252629 H\n0.970963 0.343850 0.196190 H\n0.774135 0.136153 0.658696 H\n0.634376 0.295430 0.890874 H\n0.262169 0.351684 0.032954 H\n0.065325 0.995820 0.093709 C\n0.439179 0.469242 0.279394 C\n0.330268 0.206033 0.279277 C\n0.277607 0.884845 0.960909 C\n0.522656 0.525503 0.432828 C\n0.156448 0.234250 0.146428 C\n0.332285 0.550725 0.566066 O\n0.756294 0.017889 0.579227 O\n0.765965 0.382548 0.796966 O\n0.535530 0.902777 0.947067 O\n0.198152 0.768625 0.853263 O\n0.768735 0.573386 0.435362 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.3036235019483002,
"density_atomic": 0.10748631794041813,
"volume": 213.98072276277406,
"volume_molar": 5.6027044887128765,
"formula_full": "Sn1 H10 C6 O6",
"formula_reduced": "SnH10(CO)6",
"formula_anonymous": "AB6C6D10",
"energy_above_hull": 4.2239966391304336,
"spacegroup": 1
},
{
"id": "jvasp-35108",
"created_at": "2022-09-04T14:37:38.990359Z",
"updated_at": "2022-09-04T14:37:38.990376Z",
"structure_string": "Al3 B1 N4\n1.0\n4.221559 -0.000000 -0.000000\n-0.000000 4.221559 0.000000\n-0.000000 0.000000 4.221559\nAl B N\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 B\n0.772289 0.772289 0.227711 N\n0.772289 0.227711 0.772289 N\n0.227711 0.772289 0.772289 N\n0.227711 0.227711 0.227711 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"B",
"N"
],
"chemical_system": "Al-B-N",
"density": 3.261769513771827,
"density_atomic": 0.10633381536803294,
"volume": 75.23476866047858,
"volume_molar": 5.663429586492984,
"formula_full": "Al3 B1 N4",
"formula_reduced": "Al3BN4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.224169247916667,
"spacegroup": 215
},
{
"id": "jvasp-105378",
"created_at": "2022-09-04T14:36:54.657072Z",
"updated_at": "2022-09-04T14:36:54.657094Z",
"structure_string": "Ti4 Al2 C1 N1\n1.0\n3.036361 0.000000 0.000000\n-1.518180 2.629565 0.000000\n0.000000 -0.000000 13.606276\nTi Al C N\n4 2 1 1\ndirect\n0.666667 0.333334 0.415865 Ti\n0.333334 0.666668 0.584136 Ti\n0.333334 0.666668 0.914687 Ti\n0.666667 0.333334 0.085313 Ti\n0.666667 0.333334 0.748139 Al\n0.333334 0.666668 0.251861 Al\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 N\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"Al",
"C",
"N"
],
"chemical_system": "Al-C-N-Ti",
"density": 4.14915745174509,
"density_atomic": 0.07363993484490762,
"volume": 108.63670665717895,
"volume_molar": 8.177819239904508,
"formula_full": "Ti4 Al2 C1 N1",
"formula_reduced": "Ti4Al2CN",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 4.224552772916667,
"spacegroup": 164
},
{
"id": "jvasp-85365",
"created_at": "2022-09-04T14:35:45.707367Z",
"updated_at": "2022-09-04T14:35:45.707395Z",
"structure_string": "Fe11 Co5\n1.0\n5.681023 -0.000002 -0.000002\n-0.000002 5.681022 -0.000001\n-0.000002 -0.000001 5.667377\nFe Co\n11 5\ndirect\n0.249779 0.249779 0.249943 Fe\n0.249779 0.750221 0.750058 Fe\n0.750221 0.249779 0.249944 Fe\n0.750221 0.249779 0.750057 Fe\n0.500000 0.500000 0.000000 Fe\n0.249779 0.750221 0.249944 Fe\n0.249779 0.249779 0.750056 Fe\n0.750221 0.750221 0.249944 Fe\n0.500000 0.500000 0.500001 Fe\n0.000000 0.000000 0.500000 Fe\n0.750221 0.750221 0.750058 Fe\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Fe",
"Co"
],
"chemical_system": "Co-Fe",
"density": 8.251999885079622,
"density_atomic": 0.08747518319210874,
"volume": 182.90901963430676,
"volume_molar": 6.884399140696244,
"formula_full": "Fe11 Co5",
"formula_reduced": "Fe11Co5",
"formula_anonymous": "A5B11",
"energy_above_hull": 4.2254896875000005,
"spacegroup": 123
},
{
"id": "jvasp-71804",
"created_at": "2022-09-04T14:36:05.999139Z",
"updated_at": "2022-09-04T14:36:05.999156Z",
"structure_string": "Be1 Mo1 Ir2\n1.0\n-1.842913 1.842913 4.044182\n1.842913 -1.842913 4.044182\n1.842913 1.842913 -4.044182\nBe Mo Ir\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Be\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 Ir\n0.250000 0.749999 0.499999 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Mo",
"Ir"
],
"chemical_system": "Be-Ir-Mo",
"density": 14.791099201256785,
"density_atomic": 0.0728047376015811,
"volume": 54.94147952142516,
"volume_molar": 8.271633081016994,
"formula_full": "Be1 Mo1 Ir2",
"formula_reduced": "BeMoIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.22582105,
"spacegroup": 119
},
{
"id": "jvasp-72261",
"created_at": "2022-09-04T14:35:57.993566Z",
"updated_at": "2022-09-04T14:35:57.993582Z",
"structure_string": "Y1 Be1 Os2\n1.0\n3.944279 0.000000 0.000000\n0.000000 3.944279 -0.000000\n0.000000 0.000000 4.109791\nY Be Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Be\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Be",
"Os"
],
"chemical_system": "Be-Os-Y",
"density": 12.424111316189286,
"density_atomic": 0.06256118984147405,
"volume": 63.93740288724908,
"volume_molar": 9.626001000396109,
"formula_full": "Y1 Be1 Os2",
"formula_reduced": "YBeOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.2270978875,
"spacegroup": 123
},
{
"id": "jvasp-121981",
"created_at": "2022-09-04T14:38:54.322153Z",
"updated_at": "2022-09-04T14:38:54.322181Z",
"structure_string": "V1 Mo6 Se8\n1.0\n6.674613 0.011081 -0.082480\n-0.083643 6.674098 -0.082480\n0.010925 0.011081 6.675114\nV Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 V\n0.227465 0.552466 0.422470 Mo\n0.772536 0.447534 0.577529 Mo\n0.422471 0.227464 0.552465 Mo\n0.577530 0.772536 0.447534 Mo\n0.552466 0.422471 0.227464 Mo\n0.447535 0.577529 0.772535 Mo\n0.124562 0.362049 0.759042 Se\n0.875439 0.637951 0.240957 Se\n0.224306 0.224305 0.224305 Se\n0.775695 0.775694 0.775694 Se\n0.362049 0.759043 0.124561 Se\n0.637952 0.240957 0.875438 Se\n0.759043 0.124561 0.362049 Se\n0.240958 0.875439 0.637951 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"V",
"Mo",
"Se"
],
"chemical_system": "Mo-Se-V",
"density": 7.026124223154972,
"density_atomic": 0.05044139364159254,
"volume": 297.3748129677255,
"volume_molar": 11.938886547802108,
"formula_full": "V1 Mo6 Se8",
"formula_reduced": "V(Mo3Se4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.227517102222222,
"spacegroup": 148
},
{
"id": "jvasp-111630",
"created_at": "2022-09-04T14:38:37.344529Z",
"updated_at": "2022-09-04T14:38:37.344549Z",
"structure_string": "Sm2 Co8 B8\n1.0\n7.026802 -0.000000 -0.000000\n0.000000 7.026802 -0.000000\n0.000000 0.000000 3.796892\nSm Co B\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.856874 0.384440 0.108100 Co\n0.884440 0.643126 0.608100 Co\n0.115560 0.356874 0.608100 Co\n0.143126 0.615560 0.108100 Co\n0.356874 0.884440 0.391900 Co\n0.615560 0.856874 0.891900 Co\n0.384440 0.143126 0.891900 Co\n0.643126 0.115560 0.391900 Co\n0.662071 0.204013 0.895181 B\n0.795987 0.662071 0.104818 B\n0.204013 0.337929 0.104818 B\n0.837929 0.295987 0.604818 B\n0.162071 0.704013 0.604818 B\n0.704013 0.837929 0.395182 B\n0.295987 0.162071 0.395182 B\n0.337929 0.795987 0.895181 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sm",
"Co",
"B"
],
"chemical_system": "B-Co-Sm",
"density": 7.605600532992963,
"density_atomic": 0.09601273222121467,
"volume": 187.47513567812808,
"volume_molar": 6.27223142252103,
"formula_full": "Sm2 Co8 B8",
"formula_reduced": "Sm(CoB)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.22794253425926,
"spacegroup": 86
},
{
"id": "jvasp-27278",
"created_at": "2022-09-04T14:38:31.646082Z",
"updated_at": "2022-09-04T14:38:31.646108Z",
"structure_string": "Mg4 B8 Ru10\n1.0\n2.963895 0.000000 0.000000\n0.000000 8.417643 -0.000000\n0.000000 -0.000000 10.061681\nMg B Ru\n4 8 10\ndirect\n0.499999 0.648128 0.815524 Mg\n0.499999 0.351871 0.184476 Mg\n0.499999 0.148129 0.684476 Mg\n0.499999 0.851871 0.315524 Mg\n0.499999 0.539504 0.411225 B\n0.499999 0.039504 0.088775 B\n0.499999 0.960495 0.911225 B\n0.499999 0.460495 0.588775 B\n0.499999 0.352070 0.897259 B\n0.499999 0.147930 0.397259 B\n0.499999 0.852070 0.602741 B\n0.499999 0.647930 0.102741 B\n0.000000 0.156223 0.952077 Ru\n0.000000 0.395164 0.737704 Ru\n0.000000 0.604836 0.262296 Ru\n0.000000 0.895164 0.762296 Ru\n0.000000 0.104836 0.237704 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.656222 0.547923 Ru\n0.000000 0.343777 0.452077 Ru\n0.000000 0.843777 0.047923 Ru\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"B",
"Ru"
],
"chemical_system": "B-Mg-Ru",
"density": 7.90092501034231,
"density_atomic": 0.08763928376102893,
"volume": 251.02897988062824,
"volume_molar": 6.87150841672887,
"formula_full": "Mg4 B8 Ru10",
"formula_reduced": "Mg2B4Ru5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 4.228709175757577,
"spacegroup": 55
},
{
"id": "jvasp-61797",
"created_at": "2022-09-04T14:35:41.687354Z",
"updated_at": "2022-09-04T14:35:41.687383Z",
"structure_string": "H24 Au2 C8 N2\n1.0\n7.591195 0.000000 0.000000\n0.000000 7.591195 0.000000\n0.000000 -0.000000 5.438455\nH Au C N\n24 2 8 2\ndirect\n0.842467 0.119124 0.724672 H\n0.000000 0.278043 0.040889 H\n0.000000 0.721956 0.040889 H\n0.778043 0.500000 0.040889 H\n0.221956 0.500000 0.040889 H\n0.500000 0.221956 0.959112 H\n0.500000 0.778043 0.959112 H\n0.721956 0.000000 0.959112 H\n0.619124 0.342467 0.724672 H\n0.380875 0.657532 0.724672 H\n0.842467 0.880875 0.724672 H\n0.157532 0.119124 0.724672 H\n0.278043 0.000000 0.959112 H\n0.880875 0.842467 0.275329 H\n0.342467 0.619124 0.275329 H\n0.657532 0.380875 0.275329 H\n0.880875 0.157532 0.275329 H\n0.119124 0.842467 0.275329 H\n0.657532 0.619124 0.275329 H\n0.342467 0.380875 0.275329 H\n0.380875 0.342467 0.724672 H\n0.619124 0.657532 0.724672 H\n0.157532 0.880875 0.724672 H\n0.119124 0.157532 0.275329 H\n0.000000 0.500000 0.643794 Au\n0.500000 0.000000 0.356207 Au\n0.839023 0.000000 0.839278 C\n0.160976 0.000000 0.839278 C\n0.500000 0.660976 0.839278 C\n0.500000 0.339024 0.839278 C\n0.339024 0.500000 0.160723 C\n0.660976 0.500000 0.160723 C\n0.000000 0.839023 0.160723 C\n0.000000 0.160976 0.160723 C\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 36,
"nelements": 4,
"elements": [
"H",
"Au",
"C",
"N"
],
"chemical_system": "Au-C-H-N",
"density": 2.8729691105994988,
"density_atomic": 0.11487001195384908,
"volume": 313.3977213692952,
"volume_molar": 5.242569977636544,
"formula_full": "H24 Au2 C8 N2",
"formula_reduced": "H12AuC4N",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 4.228913934444445,
"spacegroup": 129
}
]
}