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&page=4435",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4433",
"results": [
{
"id": "jvasp-37736",
"created_at": "2022-09-04T14:38:18.774643Z",
"updated_at": "2022-09-04T14:38:18.774662Z",
"structure_string": "K3 In1\n1.0\n-2.869603 2.869603 5.554818\n2.869603 -2.869603 5.554818\n2.869603 2.869603 -5.554818\nK In\n3 1\ndirect\n0.750000 0.250000 0.499999 K\n0.250000 0.750000 0.499999 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"In"
],
"chemical_system": "In-K",
"density": 2.1065652426972403,
"density_atomic": 0.021861830886659665,
"volume": 182.9672922061091,
"volume_molar": 27.546369703531,
"formula_full": "K3 In1",
"formula_reduced": "K3In",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0022524999999999,
"spacegroup": 139
},
{
"id": "jvasp-112006",
"created_at": "2022-09-04T14:38:43.074627Z",
"updated_at": "2022-09-04T14:38:43.074654Z",
"structure_string": "Sn1 H12 C7 O4\n1.0\n4.983171 -0.093957 0.551576\n0.236720 5.624354 1.189726\n-0.171535 0.162292 7.852219\nSn H C O\n1 12 7 4\ndirect\n0.004209 0.799053 0.760903 Sn\n0.070545 0.666529 0.450856 H\n0.033594 0.407972 0.626812 H\n0.039682 0.893586 0.077441 H\n0.966331 0.166132 0.921610 H\n0.299795 0.039826 -0.079786 H\n0.742263 0.584439 0.557416 H\n0.766588 0.314067 0.352968 H\n0.347610 0.009482 0.256285 H\n0.622535 0.094240 0.103739 H\n0.361177 0.500899 0.241988 H\n0.148284 0.369856 0.123121 H\n0.844882 0.013862 0.362065 H\n0.357715 0.390215 0.144577 C\n0.499976 0.145579 0.212422 C\n0.674443 0.140711 0.363463 C\n0.523918 0.071039 0.543610 C\n-0.043621 0.588265 0.574348 C\n0.086961 0.000581 -0.055114 C\n0.501277 0.521355 0.974182 C\n0.749129 0.564402 0.979529 O\n0.654237 0.040969 0.680478 O\n0.272021 0.045901 0.549996 O\n0.381914 0.574906 0.833562 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.1062827644619078,
"density_atomic": 0.1091603465202711,
"volume": 219.8600569259204,
"volume_molar": 5.51678420962294,
"formula_full": "Sn1 H12 C7 O4",
"formula_reduced": "SnH12C7O4",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 4.4014627375,
"spacegroup": 1
},
{
"id": "jvasp-118697",
"created_at": "2022-09-04T14:38:46.645853Z",
"updated_at": "2022-09-04T14:38:46.645880Z",
"structure_string": "Mg1 S1 O1\n1.0\n2.931518 -0.000000 -0.000000\n-0.000000 2.931518 0.000000\n-0.000000 0.000000 6.640530\nMg S O\n1 1 1\ndirect\n0.000000 0.000000 0.428119 Mg\n0.000000 0.000000 -0.048546 S\n0.000000 0.000000 0.719108 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"S",
"O"
],
"chemical_system": "Mg-O-S",
"density": 2.105795513500253,
"density_atomic": 0.05256944370876678,
"volume": 57.06737200073705,
"volume_molar": 11.455591566390712,
"formula_full": "Mg1 S1 O1",
"formula_reduced": "MgSO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8692875166666669,
"spacegroup": 99
},
{
"id": "jvasp-36553",
"created_at": "2022-09-04T14:37:28.324395Z",
"updated_at": "2022-09-04T14:37:28.324415Z",
"structure_string": "Cr2 N4\n1.0\n-3.981318 -3.981318 -0.000000\n-3.981318 0.000000 -3.981318\n0.000000 -3.981318 -3.981318\nCr N\n2 4\ndirect\n0.750000 0.750000 0.750000 Cr\n0.000000 0.000000 0.000000 Cr\n0.375000 0.875000 0.875000 N\n0.875000 0.375000 0.875000 N\n0.875000 0.875000 0.375000 N\n0.875000 0.875000 0.875000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 2.1052809063447158,
"density_atomic": 0.04753797222228462,
"volume": 126.21489137030017,
"volume_molar": 12.668064030667614,
"formula_full": "Cr2 N4",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.492014633333332,
"spacegroup": 227
},
{
"id": "jvasp-118404",
"created_at": "2022-09-04T14:38:33.421040Z",
"updated_at": "2022-09-04T14:38:33.421065Z",
"structure_string": "H2 F2\n1.0\n2.938571 0.049391 0.221030\n-0.026356 -3.632066 -0.755762\n0.772228 -2.924700 -3.509973\nH F\n2 2\ndirect\n0.985799 0.047403 0.237534 H\n0.922844 0.484658 0.300509 H\n0.758308 0.541853 0.465042 F\n0.151005 0.430714 0.074073 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"F"
],
"chemical_system": "F-H",
"density": 2.1045815473925575,
"density_atomic": 0.12670067884946098,
"volume": 31.570470153144072,
"volume_molar": 4.7530453780403095,
"formula_full": "H2 F2",
"formula_reduced": "HF",
"formula_anonymous": "AB",
"energy_above_hull": 0.0465701412499999,
"spacegroup": 8
},
{
"id": "jvasp-65057",
"created_at": "2022-09-04T14:35:48.732635Z",
"updated_at": "2022-09-04T14:35:48.732654Z",
"structure_string": "Mg4 Ti1 Be1\n1.0\n-0.000000 3.932258 3.932258\n3.932258 0.000000 3.932258\n3.932258 3.932258 0.000000\nMg Ti Be\n4 1 1\ndirect\n0.126180 0.624607 0.624607 Mg\n0.624607 0.624607 0.624607 Mg\n0.624607 0.126180 0.624607 Mg\n0.624607 0.624607 0.126180 Mg\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Be"
],
"chemical_system": "Be-Mg-Ti",
"density": 2.1042310327618297,
"density_atomic": 0.049339556423723556,
"volume": 121.60628175236424,
"volume_molar": 12.205502433549283,
"formula_full": "Mg4 Ti1 Be1",
"formula_reduced": "Mg4TiBe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5206917722222223,
"spacegroup": 216
},
{
"id": "jvasp-35909",
"created_at": "2022-09-04T14:37:35.145687Z",
"updated_at": "2022-09-04T14:37:35.145702Z",
"structure_string": "K2 Mg2 P2\n1.0\n4.441728 0.000000 0.000000\n0.000000 4.441728 0.000000\n0.000000 0.000000 7.551876\nK Mg P\n2 2 2\ndirect\n0.500000 0.000000 0.362084 K\n0.000000 0.500000 0.637916 K\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.811623 P\n0.000000 0.500000 0.188378 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Mg",
"P"
],
"chemical_system": "K-Mg-P",
"density": 2.10371438357723,
"density_atomic": 0.040271006130017495,
"volume": 148.99056608192555,
"volume_molar": 14.95403601429062,
"formula_full": "K2 Mg2 P2",
"formula_reduced": "KMgP",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0933475166666666,
"spacegroup": 129
},
{
"id": "jvasp-13792",
"created_at": "2022-09-04T14:38:06.430530Z",
"updated_at": "2022-09-04T14:38:06.430546Z",
"structure_string": "S8 Cl8\n1.0\n4.577579 0.000000 1.019962\n2.288789 8.516182 0.509981\n-0.032886 -0.000000 10.929631\nS Cl\n8 8\ndirect\n0.381581 0.355771 0.867534 S\n0.604887 0.644228 0.132466 S\n0.487352 0.144228 0.367534 S\n-0.000884 0.855771 0.632466 S\n0.527470 0.539043 0.816273 S\n0.882787 0.460956 0.183727 S\n0.816514 0.960956 0.316273 S\n0.093744 0.039044 0.683727 S\n0.631252 0.230747 0.000052 Cl\n0.862053 0.769253 -0.000053 Cl\n0.612000 0.269253 0.500052 Cl\n0.381305 0.730747 0.499947 Cl\n0.918466 0.467977 0.670059 Cl\n0.056502 0.532023 0.329941 Cl\n0.136443 0.032023 0.170059 Cl\n0.338525 0.967977 0.829941 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"S",
"Cl"
],
"chemical_system": "Cl-S",
"density": 2.1036878804433305,
"density_atomic": 0.03752689515540692,
"volume": 426.3608788774176,
"volume_molar": 16.047532669731996,
"formula_full": "S8 Cl8",
"formula_reduced": "SCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.58377203375,
"spacegroup": 43
},
{
"id": "jvasp-10123",
"created_at": "2022-09-04T14:38:19.130817Z",
"updated_at": "2022-09-04T14:38:19.130850Z",
"structure_string": "K8 P8\n1.0\n6.067697 0.000000 0.000000\n0.000000 6.492230 0.000000\n0.000000 0.000000 11.233107\nK P\n8 8\ndirect\n0.397929 0.382278 0.914945 K\n0.897929 0.117722 0.085055 K\n0.602072 0.882278 0.585056 K\n0.102071 0.617722 0.414945 K\n0.668209 0.661483 0.221623 K\n0.168209 0.838517 0.778378 K\n0.331791 0.161483 0.278377 K\n0.831792 0.338517 0.721623 K\n0.169182 0.685424 0.105092 P\n0.669182 0.814576 0.894909 P\n0.830819 0.185424 0.394909 P\n0.330819 0.314576 0.605092 P\n0.904487 0.577098 0.972085 P\n0.404487 0.922902 0.027916 P\n0.095514 0.077098 0.527916 P\n0.595514 0.422902 0.472084 P\n",
"nsites": 16,
"nelements": 2,
"elements": [
"K",
"P"
],
"chemical_system": "K-P",
"density": 2.103615216775293,
"density_atomic": 0.036157825481649475,
"volume": 442.50448656322516,
"volume_molar": 16.65515190634544,
"formula_full": "K8 P8",
"formula_reduced": "KP",
"formula_anonymous": "AB",
"energy_above_hull": 0.4438835000000001,
"spacegroup": 19
},
{
"id": "jvasp-102946",
"created_at": "2022-09-04T14:36:40.305603Z",
"updated_at": "2022-09-04T14:36:40.305623Z",
"structure_string": "K3 Ge1\n1.0\n5.164507 0.000000 2.981729\n1.721502 4.869144 2.981729\n0.000000 0.000000 5.963458\nK Ge\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750001 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Ge"
],
"chemical_system": "Ge-K",
"density": 2.10316921430107,
"density_atomic": 0.026673520358810526,
"volume": 149.9614578875323,
"volume_molar": 22.577225199338294,
"formula_full": "K3 Ge1",
"formula_reduced": "K3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101911",
"created_at": "2022-09-04T14:36:45.598336Z",
"updated_at": "2022-09-04T14:36:45.598359Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.984118 0.162177 0.063894\n2.102378 4.238428 1.060668\n-0.097805 -0.072352 7.411483\nZn H C O\n1 6 5 4\ndirect\n0.859134 0.420269 0.262069 Zn\n0.351703 0.768420 0.609554 H\n0.006945 0.072168 0.656451 H\n0.918156 0.575620 0.824132 H\n0.429951 0.151763 0.747417 H\n0.123836 0.708212 0.941838 H\n0.614742 0.282857 0.886040 H\n0.956181 0.802260 0.478724 C\n0.118605 0.822371 0.644154 C\n0.128094 0.596891 0.825853 C\n0.403472 0.265226 0.865325 C\n0.404265 0.036180 0.039079 C\n-0.006119 0.524313 0.473292 O\n0.787375 0.049852 0.353770 O\n0.234167 0.128875 0.163050 O\n0.595533 0.739933 0.051750 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.1023483537094223,
"density_atomic": 0.10361237026804282,
"volume": 154.42171584925978,
"volume_molar": 5.812183182781034,
"formula_full": "Zn1 H6 C5 O4",
"formula_reduced": "ZnH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.146430274999999,
"spacegroup": 1
},
{
"id": "jvasp-118656",
"created_at": "2022-09-04T14:38:47.277167Z",
"updated_at": "2022-09-04T14:38:47.277187Z",
"structure_string": "Na1 Al1 Si1\n1.0\n4.952223 0.000000 0.000000\n-2.476111 4.288751 -0.000000\n-0.000000 -0.000000 2.902974\nNa Al Si\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Na\n0.000000 0.000000 0.000000 Al\n0.666666 0.333334 0.000000 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Al",
"Si"
],
"chemical_system": "Al-Na-Si",
"density": 2.1022565439081506,
"density_atomic": 0.04865719660820849,
"volume": 61.655833239967194,
"volume_molar": 12.376670214872311,
"formula_full": "Na1 Al1 Si1",
"formula_reduced": "NaAlSi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3370768,
"spacegroup": 187
}
]
}