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=680",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=678",
"results": [
{
"id": "jvasp-108713",
"created_at": "2022-09-04T14:38:28.635867Z",
"updated_at": "2022-09-04T14:38:28.635896Z",
"structure_string": "Al1 Co2 Ni1\n1.0\n3.254341 0.019314 -2.919173\n-0.635747 3.191698 -2.919173\n-0.015750 -0.019314 4.371734\nAl Co Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.750000 0.250000 0.500000 Co\n0.249999 0.750001 0.500000 Co\n0.499999 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Co",
"Ni"
],
"chemical_system": "Al-Co-Ni",
"density": 7.494672371631768,
"density_atomic": 0.08869741059093564,
"volume": 45.097145151707245,
"volume_molar": 6.789533899443314,
"formula_full": "Al1 Co2 Ni1",
"formula_reduced": "AlCo2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.25411675,
"spacegroup": 139
},
{
"id": "jvasp-86453",
"created_at": "2022-09-04T14:35:47.905512Z",
"updated_at": "2022-09-04T14:35:47.905543Z",
"structure_string": "Cu2 Rh4 O8\n1.0\n5.330429 -0.238212 -2.885410\n-3.382200 5.027265 -0.288337\n-0.160262 0.238212 6.059156\nCu Rh O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.750001 0.250000 Cu\n0.750000 0.375001 0.125000 Rh\n0.750001 0.375000 0.625000 Rh\n0.250000 0.375000 0.625000 Rh\n0.250001 0.875001 0.625000 Rh\n0.226886 0.613410 0.386523 O\n0.773115 0.159637 0.386523 O\n0.726886 0.136523 0.863410 O\n0.773115 0.613478 0.386591 O\n0.226886 0.613478 0.840364 O\n0.273115 0.136591 0.863478 O\n0.273115 0.136523 0.409637 O\n0.726886 0.590364 0.863478 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cu",
"Rh",
"O"
],
"chemical_system": "Cu-O-Rh",
"density": 7.013889167905143,
"density_atomic": 0.08869545973306674,
"volume": 157.84347972414457,
"volume_molar": 6.789683235335746,
"formula_full": "Cu2 Rh4 O8",
"formula_reduced": "Cu(RhO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.32547435,
"spacegroup": 227
},
{
"id": "jvasp-78730",
"created_at": "2022-09-04T14:36:40.963692Z",
"updated_at": "2022-09-04T14:36:40.963725Z",
"structure_string": "Fe1\n1.0\n-1.412580 -1.412580 1.412580\n-1.412580 1.412580 -1.412580\n1.412580 -1.412580 -1.412580\nFe\n1\ndirect\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 8.224968481703941,
"density_atomic": 0.08869534955770755,
"volume": 11.274548270982047,
"volume_molar": 6.789691669326851,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy_above_hull": 0.0122899999999992,
"spacegroup": 229
},
{
"id": "jvasp-99405",
"created_at": "2022-09-04T14:36:44.732306Z",
"updated_at": "2022-09-04T14:36:44.732325Z",
"structure_string": "La1 Mn2 Cd1 O6\n1.0\n4.699746 0.000335 2.681263\n1.557393 4.434202 2.681263\n0.000473 0.000335 5.410803\nLa Mn Cd O\n1 2 1 6\ndirect\n0.499999 0.500001 0.499999 La\n0.249515 0.249516 0.249515 Mn\n0.750484 0.750486 0.750483 Mn\n0.000000 0.000000 0.000000 Cd\n0.579083 0.420917 -0.000001 O\n-0.000001 0.579083 0.420917 O\n0.420916 0.000001 0.579082 O\n0.500000 0.942038 0.057961 O\n0.057961 0.500001 0.942037 O\n0.942038 0.057964 0.499999 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Mn",
"Cd",
"O"
],
"chemical_system": "Cd-La-Mn-O",
"density": 6.733434710141175,
"density_atomic": 0.08869350571534594,
"volume": 112.7478265668529,
"volume_molar": 6.7898328196965565,
"formula_full": "La1 Mn2 Cd1 O6",
"formula_reduced": "LaMn2CdO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.522830023275862,
"spacegroup": 155
},
{
"id": "jvasp-22622",
"created_at": "2022-09-04T14:36:06.110281Z",
"updated_at": "2022-09-04T14:36:06.110306Z",
"structure_string": "Al1 Fe1 F5\n1.0\n3.277706 -0.000000 1.205347\n1.334605 4.716507 1.430018\n-0.017163 0.034658 5.105885\nAl Fe F\n1 1 5\ndirect\n0.500002 0.500000 0.500001 Al\n0.000000 0.000000 0.000000 Fe\n0.500002 0.805218 0.194783 F\n0.500001 0.194783 0.805218 F\n0.743039 0.256962 0.256963 F\n0.256964 0.743039 0.743038 F\n0.000001 0.500000 0.500000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Fe",
"F"
],
"chemical_system": "Al-F-Fe",
"density": 3.7412339200627036,
"density_atomic": 0.08869246597364433,
"volume": 78.9244038166681,
"volume_molar": 6.789912416900807,
"formula_full": "Al1 Fe1 F5",
"formula_reduced": "AlFeF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.327744244642857,
"spacegroup": 71
},
{
"id": "jvasp-118334",
"created_at": "2022-09-04T14:38:52.259442Z",
"updated_at": "2022-09-04T14:38:52.259466Z",
"structure_string": "Ti1 O1 F2\n1.0\n2.847545 0.000000 0.000000\n-0.000000 2.847545 -0.000000\n-0.000000 0.000000 5.562054\nTi O F\n1 1 2\ndirect\n0.500000 0.500000 0.265022 Ti\n0.000000 0.000000 0.207925 O\n0.000000 0.000000 0.589128 F\n0.500000 0.500000 0.947924 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 3.750507576008384,
"density_atomic": 0.08869182642173007,
"volume": 45.09998453498951,
"volume_molar": 6.789961378588249,
"formula_full": "Ti1 O1 F2",
"formula_reduced": "TiOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8771830995833334,
"spacegroup": 99
},
{
"id": "jvasp-16004",
"created_at": "2022-09-04T14:36:44.871595Z",
"updated_at": "2022-09-04T14:36:44.871613Z",
"structure_string": "Al1 O1\n1.0\n2.746334 0.000000 1.585597\n0.915445 2.589270 1.585597\n-0.000000 -0.000000 3.171194\nAl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.164983778700138,
"density_atomic": 0.08869037506331069,
"volume": 22.5503612829726,
"volume_molar": 6.79007249174576,
"formula_full": "Al1 O1",
"formula_reduced": "AlO",
"formula_anonymous": "AB",
"energy_above_hull": 0.6557031500000003,
"spacegroup": 225
},
{
"id": "jvasp-35021",
"created_at": "2022-09-04T14:37:34.592664Z",
"updated_at": "2022-09-04T14:37:34.592691Z",
"structure_string": "Os3 N3\n1.0\n4.074676 0.000000 0.000000\n0.000000 4.074676 -0.000000\n0.000000 0.000000 4.074676\nOs N\n3 3\ndirect\n0.500001 0.500001 0.000000 Os\n0.500001 0.000000 0.500001 Os\n0.000000 0.500001 0.500001 Os\n0.000000 0.000000 0.500001 N\n0.000000 0.500001 0.000000 N\n0.500001 0.000000 0.000000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Os",
"N"
],
"chemical_system": "N-Os",
"density": 15.039205473836397,
"density_atomic": 0.0886894591552877,
"volume": 67.65178249079759,
"volume_molar": 6.790142613741442,
"formula_full": "Os3 N3",
"formula_reduced": "OsN",
"formula_anonymous": "AB",
"energy_above_hull": 3.978164125,
"spacegroup": 221
},
{
"id": "jvasp-105978",
"created_at": "2022-09-04T14:35:43.229113Z",
"updated_at": "2022-09-04T14:35:43.229139Z",
"structure_string": "Ti1 Be4 Nb1\n1.0\n3.960925 -0.000000 2.286841\n1.320308 3.734396 2.286841\n-0.000000 0.000000 4.573682\nTi Be Nb\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.625025 0.625024 0.124927 Be\n0.625025 0.124928 0.625023 Be\n0.124928 0.625024 0.625023 Be\n0.625025 0.625024 0.625022 Be\n0.250000 0.250000 0.249999 Nb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Nb"
],
"chemical_system": "Be-Nb-Ti",
"density": 4.3401296918348375,
"density_atomic": 0.08868870151661293,
"volume": 67.65236041792873,
"volume_molar": 6.790200619716988,
"formula_full": "Ti1 Be4 Nb1",
"formula_reduced": "TiBe4Nb",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.056987022222222,
"spacegroup": 216
},
{
"id": "jvasp-55758",
"created_at": "2022-09-04T14:36:52.001697Z",
"updated_at": "2022-09-04T14:36:52.001715Z",
"structure_string": "Co4 Se4 O12\n1.0\n5.062615 -0.000000 0.000000\n-0.000000 5.919114 0.000000\n0.000000 0.000000 7.525417\nCo Se O\n4 4 12\ndirect\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.017738 0.983110 0.750000 Se\n0.517737 0.516888 0.250000 Se\n0.482262 0.483111 0.750000 Se\n0.982261 0.016889 0.250000 Se\n0.826141 0.433426 0.750000 O\n0.326142 0.066574 0.250000 O\n0.863377 0.186143 0.073565 O\n0.363377 0.313856 0.926435 O\n0.636622 0.686143 0.426435 O\n0.363377 0.313856 0.573565 O\n0.136622 0.813856 0.926435 O\n0.636622 0.686143 0.073565 O\n0.673857 0.933426 0.750000 O\n0.863377 0.186143 0.426435 O\n0.136622 0.813856 0.573565 O\n0.173858 0.566573 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Co",
"Se",
"O"
],
"chemical_system": "Co-O-Se",
"density": 5.4752783077560085,
"density_atomic": 0.08868860411983033,
"volume": 225.50811570985252,
"volume_molar": 6.790208076635496,
"formula_full": "Co4 Se4 O12",
"formula_reduced": "CoSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.372084953333333,
"spacegroup": 62
},
{
"id": "jvasp-16884",
"created_at": "2022-09-04T14:37:37.460075Z",
"updated_at": "2022-09-04T14:37:37.460107Z",
"structure_string": "Sn1 O2\n1.0\n3.143804 0.000000 1.815076\n1.047934 2.964006 1.815076\n-0.000000 0.000000 3.630152\nSn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.749998 0.750001 0.750002 O\n0.249999 0.250000 0.250001 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sn",
"O"
],
"chemical_system": "O-Sn",
"density": 7.398239027229451,
"density_atomic": 0.08868739611787343,
"volume": 33.826678099926774,
"volume_molar": 6.790300565365612,
"formula_full": "Sn1 O2",
"formula_reduced": "SnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0314862333333334,
"spacegroup": 225
},
{
"id": "jvasp-882",
"created_at": "2022-09-04T14:37:53.396078Z",
"updated_at": "2022-09-04T14:37:53.396101Z",
"structure_string": "Fe1\n1.0\n2.306835 -0.000004 -0.815591\n-1.153420 1.997775 -0.815591\n-0.000002 -0.000004 2.446768\nFe\n1\ndirect\n0.000000 -0.000000 0.000000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 8.223912666814382,
"density_atomic": 0.08868396399788371,
"volume": 11.275995737221029,
"volume_molar": 6.7905633538705,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy_above_hull": 0.0121599999999997,
"spacegroup": 229
}
]
}