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=-density_atomic&page=1148",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=1146",
"results": [
{
"id": "jvasp-100331",
"created_at": "2022-09-04T14:36:44.100290Z",
"updated_at": "2022-09-04T14:36:44.100317Z",
"structure_string": "Ti1 Bi2 O4 F2\n1.0\n3.738627 -0.025882 -7.283432\n-0.241338 3.730919 -7.283432\n0.024431 0.025882 8.186887\nTi Bi O F\n1 2 4 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666897 0.666898 0.000001 Bi\n0.333103 0.333103 0.000000 Bi\n0.750000 0.250000 0.500001 O\n0.250000 0.750000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500001 O\n0.871728 0.871729 0.000001 F\n0.128272 0.128272 0.000000 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ti",
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O-Ti",
"density": 8.15914100199921,
"density_atomic": 0.07787991655152741,
"volume": 115.5625275233232,
"volume_molar": 7.732597859186961,
"formula_full": "Ti1 Bi2 O4 F2",
"formula_reduced": "TiBi2(O2F)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.7087234998148149,
"spacegroup": 139
},
{
"id": "jvasp-12633",
"created_at": "2022-09-04T14:37:18.607119Z",
"updated_at": "2022-09-04T14:37:18.607140Z",
"structure_string": "K1 Fe1 S2 O8\n1.0\n4.674889 -0.044976 0.380713\n1.943416 4.252028 0.380713\n0.066553 0.042306 7.725372\nK Fe S O\n1 1 2 8\ndirect\n-0.000001 0.000001 0.500000 K\n0.000000 0.000000 0.000000 Fe\n0.623383 0.623383 0.193967 S\n0.376617 0.376618 0.806032 S\n0.249885 0.726494 0.820359 O\n0.273508 0.750115 0.179640 O\n0.750115 0.273507 0.179640 O\n0.726492 0.249886 0.820359 O\n0.243377 0.243379 0.955942 O\n0.756623 0.756622 0.044057 O\n0.317191 0.317192 0.634837 O\n0.682809 0.682808 0.365162 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Fe",
"S",
"O"
],
"chemical_system": "Fe-K-O-S",
"density": 3.0936627346120273,
"density_atomic": 0.07787885800736108,
"volume": 154.08546436140298,
"volume_molar": 7.7327029621194345,
"formula_full": "K1 Fe1 S2 O8",
"formula_reduced": "KFe(SO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.475673458333333,
"spacegroup": 12
},
{
"id": "jvasp-114720",
"created_at": "2022-09-04T14:38:42.859903Z",
"updated_at": "2022-09-04T14:38:42.859934Z",
"structure_string": "Ca1 Zr1 O2\n1.0\n3.128426 0.000000 0.000000\n-1.564213 2.709297 0.000000\n0.000000 -0.000000 6.059881\nCa Zr O\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Zr\n0.333335 0.666668 0.745842 O\n0.666669 0.333334 0.254159 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zr",
"O"
],
"chemical_system": "Ca-O-Zr",
"density": 5.279475893797841,
"density_atomic": 0.07787774948430048,
"volume": 51.362552545337316,
"volume_molar": 7.73281303052294,
"formula_full": "Ca1 Zr1 O2",
"formula_reduced": "CaZrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4785504799999998,
"spacegroup": 164
},
{
"id": "jvasp-99454",
"created_at": "2022-09-04T14:36:35.699190Z",
"updated_at": "2022-09-04T14:36:35.699213Z",
"structure_string": "Na1 Sb1 N2\n1.0\n3.097354 0.000008 0.841364\n1.434295 2.745138 0.841669\n0.019528 0.011678 6.048255\nNa Sb N\n1 1 2\ndirect\n0.500000 0.500001 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.267148 0.267075 0.198703 N\n0.732852 0.732927 0.801297 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sb",
"N"
],
"chemical_system": "N-Na-Sb",
"density": 5.5851522790392565,
"density_atomic": 0.07787440654673453,
"volume": 51.36475740074491,
"volume_molar": 7.7331449792634395,
"formula_full": "Na1 Sb1 N2",
"formula_reduced": "NaSbN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8082404,
"spacegroup": 166
},
{
"id": "jvasp-40547",
"created_at": "2022-09-04T14:37:55.752867Z",
"updated_at": "2022-09-04T14:37:55.752895Z",
"structure_string": "Li1 V1 Rh2\n1.0\n0.000006 2.950398 2.950395\n2.950402 0.000005 2.950396\n2.950404 2.950400 0.000004\nLi V Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.750000 0.750000 V\n0.000001 0.000001 0.999999 Rh\n0.500000 0.500000 0.500001 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"V",
"Rh"
],
"chemical_system": "Li-Rh-V",
"density": 8.524664589682756,
"density_atomic": 0.07787333416803686,
"volume": 51.36546473493364,
"volume_molar": 7.733251470914662,
"formula_full": "Li1 V1 Rh2",
"formula_reduced": "LiVRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5959150500000003,
"spacegroup": 225
},
{
"id": "jvasp-10926",
"created_at": "2022-09-04T14:37:19.725513Z",
"updated_at": "2022-09-04T14:37:19.725523Z",
"structure_string": "Cr4 O10\n1.0\n3.563138 0.000000 0.000000\n0.000000 4.551040 0.000000\n0.000000 0.000000 11.086914\nCr O\n4 10\ndirect\n0.000000 0.880889 0.849112 Cr\n0.500000 0.119126 0.650898 Cr\n0.500000 0.119111 0.349112 Cr\n0.000000 0.880874 0.150898 Cr\n0.500000 0.993603 0.817655 O\n0.000000 0.006411 0.682354 O\n0.000000 0.006397 0.317655 O\n0.500000 0.993589 0.182354 O\n0.000000 0.534917 0.146871 O\n0.500000 0.465072 0.353135 O\n0.500000 0.465083 0.646871 O\n0.500000 0.010887 0.500005 O\n0.000000 -0.010887 0.000005 O\n0.000000 0.534928 0.853134 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 3.3987361430419254,
"density_atomic": 0.07787069690286068,
"volume": 179.7852151941598,
"volume_molar": 7.733513374758009,
"formula_full": "Cr4 O10",
"formula_reduced": "Cr2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.2606403285714283,
"spacegroup": 59
},
{
"id": "jvasp-90428",
"created_at": "2022-09-04T14:35:42.012030Z",
"updated_at": "2022-09-04T14:35:42.012061Z",
"structure_string": "Ni1 N6 Cl2\n1.0\n-3.866160 -3.866160 -0.000000\n-3.866160 -0.000000 -3.866160\n-0.000000 -3.866160 -3.866160\nNi N Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.761478 0.238522 0.238522 N\n0.761478 0.238522 0.761478 N\n0.761478 0.761478 0.238522 N\n0.238522 0.761478 0.761478 N\n0.238522 0.761478 0.238522 N\n0.238522 0.238522 0.761478 N\n0.250000 0.250000 0.250000 Cl\n0.750000 0.750000 0.750000 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ni",
"N",
"Cl"
],
"chemical_system": "Cl-N-Ni",
"density": 3.0694558306937796,
"density_atomic": 0.07787051449209663,
"volume": 115.57648050358577,
"volume_molar": 7.733531490422102,
"formula_full": "Ni1 N6 Cl2",
"formula_reduced": "Ni(N3Cl)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.530424448333333,
"spacegroup": 225
},
{
"id": "jvasp-113080",
"created_at": "2022-09-04T14:38:46.332672Z",
"updated_at": "2022-09-04T14:38:46.332698Z",
"structure_string": "Mn8 Nb3 Al1\n1.0\n4.756686 -0.000000 0.000000\n-2.378343 4.119411 0.000000\n-0.000000 -0.000000 7.864684\nMn Nb Al\n8 3 1\ndirect\n0.333334 0.666667 0.500862 Mn\n0.333334 0.666667 0.010937 Mn\n0.504086 0.008173 0.748137 Mn\n0.504087 0.495914 0.748137 Mn\n0.991828 0.495914 0.748137 Mn\n0.159866 0.319732 0.251516 Mn\n0.159866 0.840134 0.251516 Mn\n0.680269 0.840134 0.251516 Mn\n0.666667 0.333333 0.442512 Nb\n0.666667 0.333333 0.064636 Nb\n0.000000 0.000000 0.921740 Nb\n0.000000 0.000000 0.560301 Al\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"Al"
],
"chemical_system": "Al-Mn-Nb",
"density": 8.029786435041306,
"density_atomic": 0.07786824033092625,
"volume": 154.10647459095162,
"volume_molar": 7.733757350117283,
"formula_full": "Mn8 Nb3 Al1",
"formula_reduced": "Mn8Nb3Al",
"formula_anonymous": "AB3C8",
"energy_above_hull": 5.278395744252873,
"spacegroup": 156
},
{
"id": "jvasp-13148",
"created_at": "2022-09-04T14:36:49.893863Z",
"updated_at": "2022-09-04T14:36:49.893873Z",
"structure_string": "Sr4 Ti3 O10\n1.0\n3.891049 -0.000000 -0.534911\n-0.073535 3.890354 -0.534911\n0.000383 0.000391 14.422360\nSr Ti O\n4 3 10\ndirect\n0.702421 0.702421 0.404843 Sr\n0.431467 0.431467 0.862936 Sr\n0.568531 0.568532 0.137064 Sr\n0.297577 0.297578 0.595157 Sr\n0.140203 0.140203 0.280406 Ti\n0.859795 0.859796 0.719594 Ti\n0.000000 0.000000 0.000000 Ti\n0.861073 0.361073 0.722146 O\n0.138925 0.638926 0.277854 O\n0.930476 0.930477 0.860956 O\n0.069522 0.069522 0.139044 O\n-0.000001 0.499999 -0.000000 O\n0.500000 0.000000 0.000000 O\n0.209648 0.209648 0.419296 O\n0.790350 0.790351 0.580704 O\n0.638926 0.138926 0.277854 O\n0.361072 0.861073 0.722146 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Sr",
"Ti",
"O"
],
"chemical_system": "O-Sr-Ti",
"density": 4.9748645315275715,
"density_atomic": 0.07786701619530552,
"volume": 218.32093780710326,
"volume_molar": 7.733878931350481,
"formula_full": "Sr4 Ti3 O10",
"formula_reduced": "Sr4Ti3O10",
"formula_anonymous": "A3B4C10",
"energy_above_hull": 2.257041484705882,
"spacegroup": 139
},
{
"id": "jvasp-111375",
"created_at": "2022-09-04T14:38:26.121175Z",
"updated_at": "2022-09-04T14:38:26.121196Z",
"structure_string": "Cr1 Ru1\n1.0\n2.663660 -0.000000 0.000000\n-1.331830 2.306797 0.000000\n-0.000000 0.000000 4.180315\nCr Ru\n1 1\ndirect\n0.666667 0.333334 -0.000000 Cr\n0.333334 0.666667 0.499999 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Ru"
],
"chemical_system": "Cr-Ru",
"density": 9.895344965931368,
"density_atomic": 0.07786330255254367,
"volume": 25.686041234256162,
"volume_molar": 7.734247793992737,
"formula_full": "Cr1 Ru1",
"formula_reduced": "CrRu",
"formula_anonymous": "AB",
"energy_above_hull": 3.1449989500000006,
"spacegroup": 187
},
{
"id": "jvasp-45858",
"created_at": "2022-09-04T14:38:07.611214Z",
"updated_at": "2022-09-04T14:38:07.611250Z",
"structure_string": "Li4 V4 F14\n1.0\n5.299817 0.036181 0.119089\n0.967528 6.788836 -0.007169\n2.617109 2.399392 7.909272\nLi V F\n4 4 14\ndirect\n0.142213 0.433091 0.261901 Li\n0.594868 0.256163 0.336075 Li\n0.405134 0.743837 0.663924 Li\n0.857788 0.566909 0.738099 Li\n0.295386 -0.003361 0.180113 V\n0.778697 0.771892 0.300437 V\n0.221304 0.228108 0.699563 V\n0.704615 0.003360 0.819887 V\n0.307303 0.094710 0.928058 F\n0.105336 0.943432 0.724621 F\n0.230046 0.506261 0.718033 F\n0.778640 0.673867 0.534819 F\n0.605915 0.135856 0.602882 F\n0.394086 0.864144 0.397118 F\n0.692698 0.905290 0.071942 F\n0.769955 0.493739 0.281967 F\n0.894665 0.056568 0.275378 F\n0.825747 0.277127 0.804040 F\n0.174254 0.722874 0.195959 F\n0.408146 0.261378 0.167827 F\n0.221361 0.326134 0.465181 F\n0.591855 0.738622 0.832173 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.92387523655109,
"density_atomic": 0.07786327415164696,
"volume": 282.5465566366073,
"volume_molar": 7.7342506150861885,
"formula_full": "Li4 V4 F14",
"formula_reduced": "Li2V2F7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 0.7336745797727274,
"spacegroup": 2
},
{
"id": "jvasp-64910",
"created_at": "2022-09-04T14:35:55.881153Z",
"updated_at": "2022-09-04T14:35:55.881178Z",
"structure_string": "Mg1 Be2 Mo1\n1.0\n-1.770828 1.770828 4.095611\n1.770828 -1.770828 4.095611\n1.770828 1.770828 -4.095611\nMg Be Mo\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Mo"
],
"chemical_system": "Be-Mg-Mo",
"density": 4.469342218017457,
"density_atomic": 0.07786253490198446,
"volume": 51.372588948398764,
"volume_molar": 7.734324046321944,
"formula_full": "Mg1 Be2 Mo1",
"formula_reduced": "MgBe2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2902417875,
"spacegroup": 119
}
]
}