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=-nelements&page=962",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=960",
"results": [
{
"id": "jvasp-99514",
"created_at": "2022-09-04T14:36:37.762457Z",
"updated_at": "2022-09-04T14:36:37.762474Z",
"structure_string": "Ce2 Mg2 S6\n1.0\n6.354617 0.023529 1.900025\n-2.855430 5.676991 1.900025\n0.014868 0.024221 6.794679\nCe Mg S\n2 2 6\ndirect\n0.802068 0.802068 0.257408 Ce\n0.197932 0.197932 0.742590 Ce\n0.325906 0.674094 -0.000001 Mg\n0.674095 0.325906 -0.000001 Mg\n0.243687 0.935332 0.186251 S\n0.756314 0.064667 0.813747 S\n0.064668 0.756313 0.813747 S\n0.935333 0.243687 0.186251 S\n0.561235 0.561234 0.713490 S\n0.438766 0.438766 0.286508 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"S"
],
"chemical_system": "Ce-Mg-S",
"density": 3.5328793772775353,
"density_atomic": 0.04081771055004071,
"volume": 244.99169270506835,
"volume_molar": 14.753744585005867,
"formula_full": "Ce2 Mg2 S6",
"formula_reduced": "CeMgS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.19893491,
"spacegroup": 12
},
{
"id": "jvasp-15571",
"created_at": "2022-09-04T14:36:38.074150Z",
"updated_at": "2022-09-04T14:36:38.074158Z",
"structure_string": "Sm1 Co3 B2\n1.0\n2.527212 -4.377260 -0.000000\n2.527212 4.377260 -0.000000\n0.000000 0.000000 3.027677\nSm Co B\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Co",
"B"
],
"chemical_system": "B-Co-Sm",
"density": 8.646076790623196,
"density_atomic": 0.08957105600554367,
"volume": 66.98592455612729,
"volume_molar": 6.723311110262316,
"formula_full": "Sm1 Co3 B2",
"formula_reduced": "SmCo3B2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.685301123611111,
"spacegroup": 191
},
{
"id": "jvasp-100036",
"created_at": "2022-09-04T14:36:37.526932Z",
"updated_at": "2022-09-04T14:36:37.526959Z",
"structure_string": "Ba1 Cd3 Ga1\n1.0\n4.551755 0.084831 -5.039247\n-0.611787 4.511253 -5.039247\n-0.072721 -0.084831 6.790229\nBa Cd Ga\n1 3 1\ndirect\n0.003467 0.003467 -0.000000 Ba\n0.743990 0.243989 0.500000 Cd\n0.243989 0.743989 0.499999 Cd\n0.388327 0.388326 -0.000000 Cd\n0.620227 0.620227 -0.000001 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Ga"
],
"chemical_system": "Ba-Cd-Ga",
"density": 6.647843912548046,
"density_atomic": 0.03677705514016462,
"volume": 135.95433296505152,
"volume_molar": 16.374722600948967,
"formula_full": "Ba1 Cd3 Ga1",
"formula_reduced": "BaCd3Ga",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 107
},
{
"id": "jvasp-103324",
"created_at": "2022-09-04T14:36:37.532775Z",
"updated_at": "2022-09-04T14:36:37.532805Z",
"structure_string": "Tm2 Al1 Ru1\n1.0\n4.222239 0.000000 2.437711\n1.407413 3.980765 2.437711\n-0.000000 0.000000 4.875422\nTm Al Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.749999 0.750001 0.749999 Tm\n0.500000 0.500001 0.500000 Al\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-Tm",
"density": 9.441453233404628,
"density_atomic": 0.04881332883099945,
"volume": 81.94483137687088,
"volume_molar": 12.337082727649525,
"formula_full": "Tm2 Al1 Ru1",
"formula_reduced": "Tm2AlRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.10871295,
"spacegroup": 225
},
{
"id": "jvasp-32829",
"created_at": "2022-09-04T14:36:37.572015Z",
"updated_at": "2022-09-04T14:36:37.572044Z",
"structure_string": "Pb4 I4 Br4\n1.0\n4.454967 0.000000 0.000000\n-0.000000 8.731626 0.000000\n0.000000 0.000000 10.567566\nPb I Br\n4 4 4\ndirect\n0.750000 0.163592 0.844643 Pb\n0.250000 0.836409 0.155357 Pb\n0.250000 0.336408 0.344643 Pb\n0.750000 0.663592 0.655357 Pb\n0.250000 0.997998 0.670126 I\n0.750000 0.502003 0.170126 I\n0.750000 0.002002 0.329874 I\n0.250000 0.497998 0.829875 I\n0.750000 0.341652 0.553474 Br\n0.250000 0.658348 0.446526 Br\n0.750000 0.841652 0.946526 Br\n0.250000 0.158348 0.053475 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pb",
"I",
"Br"
],
"chemical_system": "Br-I-Pb",
"density": 6.689655131398063,
"density_atomic": 0.029192188882795633,
"volume": 411.06886668139435,
"volume_molar": 20.629288143408594,
"formula_full": "Pb4 I4 Br4",
"formula_reduced": "PbIBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-104031",
"created_at": "2022-09-04T14:36:37.588127Z",
"updated_at": "2022-09-04T14:36:37.588150Z",
"structure_string": "H16 C28 O4\n1.0\n7.638702 0.000000 -1.661408\n0.000000 3.767264 0.000000\n-0.040374 0.000000 15.575730\nH C O\n16 28 4\ndirect\n0.570486 0.255176 0.998396 H\n0.957277 0.178793 0.284453 H\n0.042723 0.678792 0.215547 H\n0.957277 0.321207 0.784453 H\n0.655849 0.941418 0.243516 H\n0.344151 0.058581 0.756484 H\n0.344151 0.441419 0.256484 H\n0.655850 0.558581 0.743516 H\n0.042723 0.821206 0.715547 H\n0.540945 0.030981 0.648552 H\n0.540945 0.469019 0.148552 H\n0.459056 0.530980 0.851448 H\n0.570485 0.244823 0.498396 H\n0.429515 0.755176 0.501604 H\n0.429515 0.744823 0.001604 H\n0.459055 0.969018 0.351447 H\n0.934382 0.157982 0.913859 C\n0.065618 0.842017 0.086141 C\n0.065618 0.657982 0.586141 C\n0.934382 0.342017 0.413859 C\n0.823926 0.140995 0.974537 C\n0.176074 0.859004 0.025463 C\n0.115529 0.016462 0.936710 C\n0.823926 0.359004 0.474537 C\n0.884471 0.983537 0.063290 C\n0.884471 0.516462 0.563290 C\n0.115529 0.483537 0.436710 C\n0.871436 0.191509 0.330899 C\n0.176075 0.640995 0.525463 C\n0.128565 0.808490 0.669101 C\n0.591941 0.074633 0.368373 C\n0.871436 0.308491 0.830899 C\n0.653347 0.273980 0.950836 C\n0.346653 0.726019 0.049164 C\n0.346654 0.773979 0.549164 C\n0.653347 0.226020 0.450836 C\n0.128564 0.691508 0.169101 C\n0.408059 0.574633 0.131627 C\n0.591941 0.425366 0.868373 C\n0.701392 0.441839 0.808243 C\n0.298608 0.558160 0.191757 C\n0.298608 0.941838 0.691757 C\n0.701392 0.058161 0.308243 C\n0.408059 0.925366 0.631627 C\n0.786942 0.527924 0.616445 O\n0.213059 0.027924 0.883555 O\n0.786941 0.972075 0.116445 O\n0.213059 0.472075 0.383554 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5436043069151264,
"density_atomic": 0.10714998627973314,
"volume": 447.97019268567976,
"volume_molar": 5.620290742994762,
"formula_full": "H16 C28 O4",
"formula_reduced": "H4C7O",
"formula_anonymous": "AB4C7",
"energy_above_hull": 5.5759494583333336,
"spacegroup": 14
},
{
"id": "jvasp-101111",
"created_at": "2022-09-04T14:36:37.601899Z",
"updated_at": "2022-09-04T14:36:37.601928Z",
"structure_string": "Sr1 Pb3 S4\n1.0\n4.209426 0.006130 13.442073\n2.060603 3.670589 13.442073\n0.010453 0.006130 14.085755\nSr Pb S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.249706 0.249706 0.249706 Pb\n0.499999 0.500000 0.500000 Pb\n0.750293 0.750294 0.750294 Pb\n0.125165 0.125165 0.125165 S\n0.374486 0.374487 0.374487 S\n0.625513 0.625513 0.625513 S\n0.874834 0.874835 0.874835 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Pb",
"S"
],
"chemical_system": "Pb-S-Sr",
"density": 6.4154049185443585,
"density_atomic": 0.03690545108202867,
"volume": 216.7701454784724,
"volume_molar": 16.31775410796298,
"formula_full": "Sr1 Pb3 S4",
"formula_reduced": "SrPb3S4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.99519859625,
"spacegroup": 166
},
{
"id": "jvasp-8060",
"created_at": "2022-09-04T14:36:37.612429Z",
"updated_at": "2022-09-04T14:36:37.612450Z",
"structure_string": "Na1 Cu1 O2\n1.0\n2.687678 -0.000000 0.704048\n1.343886 3.219093 0.351846\n0.018570 -0.048031 5.411186\nNa Cu O\n1 1 2\ndirect\n0.500001 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Cu\n0.339005 0.093500 0.228489 O\n0.660997 0.906499 0.771512 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O",
"density": 4.208058045231039,
"density_atomic": 0.08551604156430694,
"volume": 46.774849803964,
"volume_molar": 7.042118238683241,
"formula_full": "Na1 Cu1 O2",
"formula_reduced": "NaCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6342258749999999,
"spacegroup": 12
},
{
"id": "jvasp-99046",
"created_at": "2022-09-04T14:36:37.615682Z",
"updated_at": "2022-09-04T14:36:37.615712Z",
"structure_string": "La4 Al4 I2\n1.0\n4.397252 -0.000000 -0.000000\n-2.198625 3.808132 0.000000\n0.000000 0.000000 17.654641\nLa Al I\n4 4 2\ndirect\n0.000000 0.000000 0.379802 La\n0.000000 0.000000 0.879802 La\n0.000000 0.000000 0.620198 La\n0.000000 0.000000 0.120198 La\n0.666666 0.333333 0.492780 Al\n0.333332 0.666667 0.992780 Al\n0.333332 0.666667 0.507220 Al\n0.666666 0.333333 0.007220 Al\n0.333332 0.666667 0.250000 I\n0.666666 0.333333 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Al",
"I"
],
"chemical_system": "Al-I-La",
"density": 5.152704356353196,
"density_atomic": 0.033825775358216494,
"volume": 295.6325433519128,
"volume_molar": 17.80340789302021,
"formula_full": "La4 Al4 I2",
"formula_reduced": "La2Al2I",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.282814375,
"spacegroup": 194
},
{
"id": "jvasp-51112",
"created_at": "2022-09-04T14:36:37.663692Z",
"updated_at": "2022-09-04T14:36:37.663798Z",
"structure_string": "Ga2 W1 Se1\n1.0\n0.000000 3.280506 3.280506\n3.280506 -0.000000 3.280506\n3.280506 3.280506 0.000000\nGa W Se\n2 1 1\ndirect\n0.750001 0.750001 0.750001 Ga\n0.250000 0.250000 0.250000 Ga\n0.500001 0.500001 0.500001 W\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"W",
"Se"
],
"chemical_system": "Ga-Se-W",
"density": 9.459938797126487,
"density_atomic": 0.056650987740803474,
"volume": 70.60777154144759,
"volume_molar": 10.63024847431299,
"formula_full": "Ga2 W1 Se1",
"formula_reduced": "Ga2WSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.289359504166667,
"spacegroup": 225
},
{
"id": "jvasp-96773",
"created_at": "2022-09-04T14:36:37.678133Z",
"updated_at": "2022-09-04T14:36:37.678163Z",
"structure_string": "Mg4 Al1 Si6\n1.0\n3.629004 -0.000000 -0.796932\n-0.154140 6.643368 -0.701910\n-0.043234 0.674097 8.464321\nMg Al Si\n4 1 6\ndirect\n0.420018 0.594880 0.840036 Mg\n0.666145 0.990714 0.332290 Mg\n0.333855 0.009286 0.667710 Mg\n0.579982 0.405121 0.159965 Mg\n0.499999 -0.000000 0.000000 Al\n0.948650 0.247236 0.897300 Si\n0.051350 0.752765 0.102700 Si\n0.788528 0.715101 0.577057 Si\n0.211472 0.284899 0.422943 Si\n0.808858 0.345405 0.617716 Si\n0.191142 0.654596 0.382284 Si\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Si"
],
"chemical_system": "Al-Mg-Si",
"density": 2.3637138093063395,
"density_atomic": 0.05349265903873192,
"volume": 205.63569277861725,
"volume_molar": 11.257882610844987,
"formula_full": "Mg4 Al1 Si6",
"formula_reduced": "Mg4AlSi6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 1.906990012121212,
"spacegroup": 12
},
{
"id": "jvasp-100352",
"created_at": "2022-09-04T14:36:37.628404Z",
"updated_at": "2022-09-04T14:36:37.628442Z",
"structure_string": "Sm1 Dy1 Ni2\n1.0\n5.431179 -0.014425 0.000000\n-4.153529 3.499443 0.000000\n0.000000 0.000000 4.262868\nSm Dy Ni\n1 1 2\ndirect\n0.139971 0.860028 0.000000 Sm\n0.862819 0.137183 0.500000 Dy\n0.574284 0.425717 0.500000 Ni\n0.422927 0.577073 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Dy",
"Ni"
],
"chemical_system": "Dy-Ni-Sm",
"density": 8.845920854457324,
"density_atomic": 0.049526346790512724,
"volume": 80.76509290942171,
"volume_molar": 12.159468949875386,
"formula_full": "Sm1 Dy1 Ni2",
"formula_reduced": "SmDyNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.12912754375,
"spacegroup": 38
}
]
}