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=updated_at&page=518",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=516",
"results": [
{
"id": "jvasp-69126",
"created_at": "2022-09-04T14:35:57.827674Z",
"updated_at": "2022-09-04T14:35:57.827698Z",
"structure_string": "Ba2 Sc1 Bi1\n1.0\n0.000000 4.271555 4.271555\n4.271555 0.000000 4.271555\n4.271555 4.271555 -0.000000\nBa Sc Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Sc\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Bi"
],
"chemical_system": "Ba-Bi-Sc",
"density": 5.6309321321236805,
"density_atomic": 0.025660906113144488,
"volume": 155.87914091432057,
"volume_molar": 23.46815320334784,
"formula_full": "Ba2 Sc1 Bi1",
"formula_reduced": "Ba2ScBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7180778724999999,
"spacegroup": 225
},
{
"id": "jvasp-92275",
"created_at": "2022-09-04T14:35:57.832109Z",
"updated_at": "2022-09-04T14:35:57.832121Z",
"structure_string": "K1 Mo1 O3\n1.0\n0.000177 -3.940785 -0.000750\n-3.940900 -0.000178 -0.000330\n0.000456 0.001097 -3.940821\nK Mo O\n1 1 3\ndirect\n0.988022 -0.000006 0.997997 K\n0.487988 0.500004 0.497996 Mo\n0.488002 -0.000003 0.498016 O\n0.987994 0.500010 0.497982 O\n0.487986 0.499987 0.998006 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Mo",
"O"
],
"chemical_system": "K-Mo-O",
"density": 4.966173715653721,
"density_atomic": 0.08169681228775173,
"volume": 61.201898335874446,
"volume_molar": 7.371328931156913,
"formula_full": "K1 Mo1 O3",
"formula_reduced": "KMoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.15856288,
"spacegroup": 221
},
{
"id": "jvasp-90718",
"created_at": "2022-09-04T14:35:57.833831Z",
"updated_at": "2022-09-04T14:35:57.833855Z",
"structure_string": "Fe1 Cu2 Ge1 Se4\n1.0\n5.635050 0.000000 -0.000000\n0.000000 5.635050 0.000000\n-2.817525 -2.817525 5.587933\nFe Cu Ge Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.749999 0.249999 0.500000 Cu\n0.249999 0.749999 0.500000 Cu\n0.500000 0.500000 0.000000 Ge\n0.885917 0.885917 0.255872 Se\n0.369954 0.369954 0.255872 Se\n0.114082 0.630044 0.744127 Se\n0.630044 0.114082 0.744127 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Fe",
"Cu",
"Ge",
"Se"
],
"chemical_system": "Cu-Fe-Ge-Se",
"density": 5.347558154149401,
"density_atomic": 0.045086160107525544,
"volume": 177.4380426481403,
"volume_molar": 13.3569608625748,
"formula_full": "Fe1 Cu2 Ge1 Se4",
"formula_reduced": "FeCu2GeSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.2769094770833331,
"spacegroup": 121
},
{
"id": "jvasp-71331",
"created_at": "2022-09-04T14:35:57.835087Z",
"updated_at": "2022-09-04T14:35:57.835122Z",
"structure_string": "Be1 In2 Cl1\n1.0\n3.086377 0.000000 0.000000\n0.000000 3.086377 0.000000\n-0.000000 0.000000 9.348685\nBe In Cl\n1 2 1\ndirect\n0.000000 0.000000 0.525038 Be\n0.000000 0.000000 0.011992 In\n0.500000 0.500000 0.308790 In\n0.500000 0.500000 0.654181 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"Cl"
],
"chemical_system": "Be-Cl-In",
"density": 5.111066497045942,
"density_atomic": 0.044917080130749014,
"volume": 89.05298359457939,
"volume_molar": 13.407240057613196,
"formula_full": "Be1 In2 Cl1",
"formula_reduced": "BeIn2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2480725268749999,
"spacegroup": 99
},
{
"id": "jvasp-48118",
"created_at": "2022-09-04T14:35:57.836409Z",
"updated_at": "2022-09-04T14:35:57.836435Z",
"structure_string": "Fe4 O4 F4\n1.0\n0.000000 4.622832 0.022939\n3.058633 0.000000 0.000000\n0.000000 -0.061978 -9.292739\nFe O F\n4 4 4\ndirect\n0.979337 0.000000 0.010212 Fe\n0.972779 0.000000 0.513986 Fe\n0.479704 0.500000 0.718306 Fe\n0.553933 0.500000 0.265288 Fe\n0.794142 0.500000 0.599906 O\n0.811056 0.500000 0.098575 O\n0.720397 0.000000 0.358732 O\n0.282264 0.000000 0.641264 O\n0.685171 0.000000 0.844204 F\n0.317948 0.000000 0.153990 F\n0.196956 0.500000 0.897644 F\n0.206311 0.500000 0.397894 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.592347767665945,
"density_atomic": 0.09133061853373103,
"volume": 131.39076678395705,
"volume_molar": 6.593780767811015,
"formula_full": "Fe4 O4 F4",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0955730941666666,
"spacegroup": 6
},
{
"id": "jvasp-74487",
"created_at": "2022-09-04T14:35:57.837456Z",
"updated_at": "2022-09-04T14:35:57.837479Z",
"structure_string": "Sc1 Be2 Te1\n1.0\n-1.890224 1.890224 4.528843\n1.890224 -1.890224 4.528843\n1.890224 1.890224 -4.528843\nSc Be Te\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Te"
],
"chemical_system": "Be-Sc-Te",
"density": 4.889373858339438,
"density_atomic": 0.0617996746176604,
"volume": 64.72525987793674,
"volume_molar": 9.744615642812889,
"formula_full": "Sc1 Be2 Te1",
"formula_reduced": "ScBe2Te",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.801466304166667,
"spacegroup": 119
},
{
"id": "jvasp-43562",
"created_at": "2022-09-04T14:35:57.839783Z",
"updated_at": "2022-09-04T14:35:57.839804Z",
"structure_string": "Li8 Fe4 O8 F4\n1.0\n5.067367 0.000000 0.119139\n-2.533683 4.231604 -0.059570\n-1.473171 0.000000 9.449930\nLi Fe O F\n8 4 8 4\ndirect\n0.183957 0.865372 0.503002 Li\n0.000000 0.500000 -0.000000 Li\n0.074132 0.148264 0.250000 Li\n0.681417 0.865372 -0.003002 Li\n0.500001 0.500000 0.500000 Li\n0.318584 0.134627 0.003002 Li\n0.925869 0.851735 0.750000 Li\n0.816044 0.134627 0.496998 Li\n0.574782 0.149563 0.750000 Fe\n0.750969 0.501934 0.250000 Fe\n0.249032 0.498065 0.750000 Fe\n0.425219 0.850436 0.250000 Fe\n0.054732 0.813361 0.141441 O\n0.304826 0.829161 0.863552 O\n0.524338 0.829161 0.636448 O\n0.241371 0.186638 0.641441 O\n0.758630 0.813361 0.358559 O\n0.475663 0.170839 0.363552 O\n0.695175 0.170839 0.136448 O\n0.945269 0.186638 0.858559 O\n0.355656 0.503387 0.115877 F\n0.147731 0.503387 0.384123 F\n0.644345 0.496612 0.884123 F\n0.852270 0.496612 0.615877 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.9427442450149313,
"density_atomic": 0.11800663099691602,
"volume": 203.3784016817429,
"volume_molar": 5.1032223436303195,
"formula_full": "Li8 Fe4 O8 F4",
"formula_reduced": "Li2FeO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.4066287970833335,
"spacegroup": 15
},
{
"id": "jvasp-71215",
"created_at": "2022-09-04T14:35:57.840557Z",
"updated_at": "2022-09-04T14:35:57.840575Z",
"structure_string": "Be1 Ga1 Sb2\n1.0\n3.638494 -0.000000 -0.000000\n-0.000000 3.638494 0.000000\n0.000000 0.000000 7.059102\nBe Ga Sb\n1 1 2\ndirect\n0.000000 -0.000000 0.525270 Be\n0.500000 0.500000 0.729338 Ga\n0.000000 -0.000000 0.893587 Sb\n0.500000 0.500000 0.351804 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Sb"
],
"chemical_system": "Be-Ga-Sb",
"density": 5.726064342118118,
"density_atomic": 0.04280230997926202,
"volume": 93.45290013408211,
"volume_molar": 14.069662975941634,
"formula_full": "Be1 Ga1 Sb2",
"formula_reduced": "BeGaSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.22775015625,
"spacegroup": 99
},
{
"id": "jvasp-92165",
"created_at": "2022-09-04T14:35:57.851324Z",
"updated_at": "2022-09-04T14:35:57.851334Z",
"structure_string": "Nd4 Bi2 N2\n1.0\n4.733068 -0.000000 -0.000000\n-0.000000 4.733068 0.000000\n-0.000000 0.000000 9.385960\nNd Bi N\n4 2 2\ndirect\n0.750000 0.250000 0.000000 Nd\n0.250000 0.750000 0.000000 Nd\n0.750000 0.750000 0.674908 Nd\n0.250000 0.250000 0.325092 Nd\n0.750000 0.750000 0.306603 Bi\n0.250000 0.250000 0.693397 Bi\n0.750000 0.750000 0.918065 N\n0.250000 0.250000 0.081935 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"Bi",
"N"
],
"chemical_system": "Bi-N-Nd",
"density": 8.07859814583378,
"density_atomic": 0.038047471455961906,
"volume": 210.2636441756612,
"volume_molar": 15.827965774204825,
"formula_full": "Nd4 Bi2 N2",
"formula_reduced": "Nd2BiN",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0114351375,
"spacegroup": 129
},
{
"id": "jvasp-63504",
"created_at": "2022-09-04T14:35:57.852544Z",
"updated_at": "2022-09-04T14:35:57.852572Z",
"structure_string": "K1 Au1 F6\n1.0\n3.267770 -3.795391 -0.029738\n3.267775 3.795396 -0.029739\n-1.095692 -0.000001 4.887098\nK Au F\n1 1 6\ndirect\n0.500012 0.500000 0.500000 K\n0.000014 0.000002 0.000002 Au\n0.278607 0.927146 0.278596 F\n0.278608 0.278596 0.927146 F\n0.927157 0.278596 0.278595 F\n0.721415 0.721403 0.072854 F\n0.721416 0.072855 0.721403 F\n0.072866 0.721404 0.721404 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Au",
"F"
],
"chemical_system": "Au-F-K",
"density": 4.8048860380282825,
"density_atomic": 0.06612829696829496,
"volume": 120.97695490079806,
"volume_molar": 9.106753139109722,
"formula_full": "K1 Au1 F6",
"formula_reduced": "KAuF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-16154",
"created_at": "2022-09-04T14:35:57.856604Z",
"updated_at": "2022-09-04T14:35:57.856615Z",
"structure_string": "Yb2 Cu2 Sb2\n1.0\n2.226709 -3.856774 0.000000\n2.226709 3.856774 -0.000000\n0.000000 0.000000 7.886026\nYb Cu Sb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.750000 Cu\n0.666667 0.333333 0.250000 Cu\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.250000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Yb",
"density": 8.786295366263943,
"density_atomic": 0.044297110172455606,
"volume": 135.44901634984896,
"volume_molar": 13.594884037705533,
"formula_full": "Yb2 Cu2 Sb2",
"formula_reduced": "YbCuSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0033099999999999,
"spacegroup": 194
},
{
"id": "jvasp-96933",
"created_at": "2022-09-04T14:35:57.857119Z",
"updated_at": "2022-09-04T14:35:57.857153Z",
"structure_string": "La12 Ti4 S16 O10\n1.0\n4.021626 0.000000 0.000000\n0.000000 12.623390 -1.518235\n0.000000 -0.022854 16.444456\nLa Ti S O\n12 4 16 10\ndirect\n0.750001 0.320880 0.648066 La\n0.750001 0.269303 0.102815 La\n0.750001 0.998804 0.380405 La\n0.750001 0.384361 0.397516 La\n0.250000 0.068257 0.882619 La\n0.250000 0.001196 0.619596 La\n0.250000 0.730697 0.897185 La\n0.250000 0.679120 0.351935 La\n0.250000 0.395549 0.874030 La\n0.750001 0.931743 0.117381 La\n0.750001 0.604451 0.125970 La\n0.250000 0.615640 0.602484 La\n0.250000 0.153325 0.233534 Ti\n0.250000 0.441584 0.226562 Ti\n0.750001 0.558416 0.773439 Ti\n0.750001 0.846675 0.766467 Ti\n0.750001 0.030683 0.754283 S\n0.750001 0.912965 0.932372 S\n0.250000 0.969318 0.245718 S\n0.750001 0.775168 0.268774 S\n0.250000 0.885606 0.454928 S\n0.750001 0.804618 0.625638 S\n0.750001 0.114394 0.545073 S\n0.750001 0.235990 0.924308 S\n0.250000 0.195382 0.374362 S\n0.250000 0.391558 0.534405 S\n0.750001 0.608442 0.465595 S\n0.250000 0.224833 0.731227 S\n0.250000 0.087035 0.067628 S\n0.250000 0.764010 0.075693 S\n0.750001 0.569182 0.938537 S\n0.250000 0.430819 0.061464 S\n0.250000 0.287614 0.192439 O\n0.750001 0.414828 0.787222 O\n0.750001 0.149757 0.218211 O\n0.250000 0.585173 0.212778 O\n0.250000 0.850243 0.781790 O\n0.750001 0.544373 0.659655 O\n0.750001 0.712386 0.807561 O\n0.750001 0.432958 0.219203 O\n0.250000 0.455627 0.340345 O\n0.250000 0.567042 0.780798 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"La",
"Ti",
"S",
"O"
],
"chemical_system": "La-O-S-Ti",
"density": 5.035930509039959,
"density_atomic": 0.05031815372842857,
"volume": 834.6888128423319,
"volume_molar": 11.968127432699568,
"formula_full": "La12 Ti4 S16 O10",
"formula_reduced": "La6Ti2S8O5",
"formula_anonymous": "A2B5C6D8",
"energy_above_hull": 2.6554478174603173,
"spacegroup": 11
}
]
}