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=3465",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=3463",
"results": [
{
"id": "jvasp-40498",
"created_at": "2022-09-04T14:38:36.496577Z",
"updated_at": "2022-09-04T14:38:36.496600Z",
"structure_string": "Sc2 Cu1 Au1\n1.0\n0.000000 3.323094 3.323094\n3.323094 -0.000000 3.323094\n3.323094 3.323094 -0.000000\nSc Cu Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.749998 0.749998 0.749998 Cu\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"Au"
],
"chemical_system": "Au-Cu-Sc",
"density": 7.928399996343654,
"density_atomic": 0.0545007045740277,
"volume": 73.39354658372984,
"volume_molar": 11.049656710070956,
"formula_full": "Sc2 Cu1 Au1",
"formula_reduced": "Sc2CuAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.15170213,
"spacegroup": 225
},
{
"id": "jvasp-35854",
"created_at": "2022-09-04T14:37:33.185670Z",
"updated_at": "2022-09-04T14:37:33.185687Z",
"structure_string": "Dy2 Te4\n1.0\n4.446141 0.000000 0.000000\n0.000000 4.446141 -0.000000\n0.000000 -0.000000 8.850983\nDy Te\n2 4\ndirect\n0.500000 0.000000 0.728923 Dy\n0.000000 0.500000 0.271077 Dy\n0.500000 0.000000 0.371272 Te\n0.000000 0.500000 0.628727 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Dy",
"Te"
],
"chemical_system": "Dy-Te",
"density": 7.928400845268334,
"density_atomic": 0.034292036802783483,
"volume": 174.96773476905227,
"volume_molar": 17.56133878729298,
"formula_full": "Dy2 Te4",
"formula_reduced": "DyTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5606340111111112,
"spacegroup": 129
},
{
"id": "jvasp-68957",
"created_at": "2022-09-04T14:36:14.936721Z",
"updated_at": "2022-09-04T14:36:14.936744Z",
"structure_string": "Ba1 Ge1 Bi2\n1.0\n4.311028 0.000000 0.000000\n0.000000 4.310123 0.000000\n0.000000 0.000000 7.077496\nBa Ge Bi\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.786687 Bi\n0.000000 0.000000 0.213313 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Bi"
],
"chemical_system": "Ba-Bi-Ge",
"density": 7.92882199914308,
"density_atomic": 0.03041654289319574,
"volume": 131.50738445343868,
"volume_molar": 19.798899503951084,
"formula_full": "Ba1 Ge1 Bi2",
"formula_reduced": "BaGeBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5251676300000001,
"spacegroup": 123
},
{
"id": "jvasp-69273",
"created_at": "2022-09-04T14:36:13.035520Z",
"updated_at": "2022-09-04T14:36:13.035545Z",
"structure_string": "Ba1 Ge1 Bi2\n1.0\n4.311103 0.000000 0.000000\n0.000000 4.311103 -0.000000\n0.000000 0.000000 7.075736\nBa Ge Bi\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.786637 Bi\n0.000000 0.000000 0.213364 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Bi"
],
"chemical_system": "Ba-Bi-Ge",
"density": 7.92885342507111,
"density_atomic": 0.030416663449324758,
"volume": 131.50686322528907,
"volume_molar": 19.79882103121896,
"formula_full": "Ba1 Ge1 Bi2",
"formula_reduced": "BaGeBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.52510763,
"spacegroup": 123
},
{
"id": "jvasp-66935",
"created_at": "2022-09-04T14:36:15.856854Z",
"updated_at": "2022-09-04T14:36:15.856885Z",
"structure_string": "Ti1 Be2 Tl1\n1.0\n-2.154827 2.154827 3.047602\n2.154827 -2.154827 3.047602\n2.154827 2.154827 -3.047602\nTi Be Tl\n1 2 1\ndirect\n0.250000 0.750000 0.500001 Ti\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500001 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Tl"
],
"chemical_system": "Be-Ti-Tl",
"density": 7.928871420136564,
"density_atomic": 0.07066704524920538,
"volume": 56.603470343129686,
"volume_molar": 8.521851647770312,
"formula_full": "Ti1 Be2 Tl1",
"formula_reduced": "TiBe2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8367032833333337,
"spacegroup": 225
},
{
"id": "jvasp-20364",
"created_at": "2022-09-04T14:37:31.950775Z",
"updated_at": "2022-09-04T14:37:31.950808Z",
"structure_string": "Ni6 N2\n1.0\n2.310396 -4.001724 0.000000\n2.310396 4.001724 0.000000\n0.000000 -0.000000 4.305634\nNi N\n6 2\ndirect\n0.329542 0.329542 0.499999 Ni\n0.670459 0.670459 0.000000 Ni\n0.329542 0.000000 0.000000 Ni\n0.000001 0.670458 0.499999 Ni\n0.670458 0.000001 0.499999 Ni\n0.000000 0.329542 0.000000 Ni\n0.666668 0.333334 0.749999 N\n0.333334 0.666668 0.250000 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"N"
],
"chemical_system": "N-Ni",
"density": 7.929222776052353,
"density_atomic": 0.10048224405003589,
"volume": 79.61605630559305,
"volume_molar": 5.993238722854587,
"formula_full": "Ni6 N2",
"formula_reduced": "Ni3N",
"formula_anonymous": "AB3",
"energy_above_hull": 2.0587026125,
"spacegroup": 182
},
{
"id": "jvasp-12355",
"created_at": "2022-09-04T14:38:13.758712Z",
"updated_at": "2022-09-04T14:38:13.758739Z",
"structure_string": "Zr4 Fe6 Ge2\n1.0\n2.503764 -4.336645 -0.000000\n2.503764 4.336645 0.000000\n0.000000 0.000000 8.150895\nZr Fe Ge\n4 6 2\ndirect\n0.666666 0.333332 0.065702 Zr\n0.333332 0.666666 0.565703 Zr\n0.666666 0.333332 0.434298 Zr\n0.333332 0.666666 0.934298 Zr\n0.826431 0.173567 0.750000 Fe\n0.173568 0.347137 0.250000 Fe\n0.652862 0.826431 0.250000 Fe\n0.347137 0.173568 0.750000 Fe\n0.826431 0.652862 0.750000 Fe\n0.173567 0.826431 0.250000 Fe\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Zr",
"density": 7.9295705002628365,
"density_atomic": 0.06779515984993079,
"volume": 177.00378650279487,
"volume_molar": 8.882847644773491,
"formula_full": "Zr4 Fe6 Ge2",
"formula_reduced": "Zr2Fe3Ge",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.571403575,
"spacegroup": 194
},
{
"id": "jvasp-20556",
"created_at": "2022-09-04T14:37:33.175758Z",
"updated_at": "2022-09-04T14:37:33.175777Z",
"structure_string": "Ni6 N2\n1.0\n2.310366 -4.001671 -0.000000\n2.310366 4.001671 -0.000000\n-0.000000 -0.000000 4.305558\nNi N\n6 2\ndirect\n0.329544 0.329544 0.500000 Ni\n0.670457 0.670457 0.000000 Ni\n0.329544 0.000000 0.000000 Ni\n0.000001 0.670457 0.500000 Ni\n0.670457 0.000001 0.500000 Ni\n0.000000 0.329544 0.000000 Ni\n0.666668 0.333334 0.750000 N\n0.333334 0.666668 0.250000 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"N"
],
"chemical_system": "N-Ni",
"density": 7.9295707235151065,
"density_atomic": 0.10048665337776655,
"volume": 79.61256277413317,
"volume_molar": 5.992975741127075,
"formula_full": "Ni6 N2",
"formula_reduced": "Ni3N",
"formula_anonymous": "AB3",
"energy_above_hull": 2.0587026125,
"spacegroup": 182
},
{
"id": "jvasp-47737",
"created_at": "2022-09-04T14:38:34.229470Z",
"updated_at": "2022-09-04T14:38:34.229496Z",
"structure_string": "Bi4 O4 F4\n1.0\n0.000000 5.798048 0.015803\n5.850257 0.000000 0.000000\n0.000000 -0.682755 -6.026717\nBi O F\n4 4 4\ndirect\n0.756526 0.542363 0.302008 Bi\n0.756526 0.957638 0.802009 Bi\n0.243474 0.042362 0.197992 Bi\n0.243474 0.457638 0.697993 Bi\n0.928349 0.822369 0.124236 O\n0.928348 0.677631 0.624236 O\n0.071651 0.322369 0.375765 O\n0.071651 0.177631 0.875765 O\n0.560339 0.244799 0.022758 F\n0.560338 0.255202 0.522758 F\n0.439661 0.744799 0.477243 F\n0.439661 0.755202 0.977243 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"O",
"F"
],
"chemical_system": "Bi-F-O",
"density": 7.929698725546424,
"density_atomic": 0.058718887138032486,
"volume": 204.36354612428522,
"volume_molar": 10.255883674776651,
"formula_full": "Bi4 O4 F4",
"formula_reduced": "BiOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2860626941666668,
"spacegroup": 14
},
{
"id": "jvasp-93382",
"created_at": "2022-09-04T14:36:19.693753Z",
"updated_at": "2022-09-04T14:36:19.693785Z",
"structure_string": "V2 Fe2 Sb2\n1.0\n-2.275552 -3.940705 0.000000\n-2.275552 3.940705 -0.000000\n0.000000 -0.000000 -5.336717\nV Fe Sb\n2 2 2\ndirect\n0.666680 0.333320 0.250000 V\n0.333320 0.666680 0.750000 V\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.666677 0.333322 0.750000 Sb\n0.333322 0.666677 0.250000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"V",
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb-V",
"density": 7.930285263864205,
"density_atomic": 0.06268828550310054,
"volume": 95.71166210476824,
"volume_molar": 9.606485026141204,
"formula_full": "V2 Fe2 Sb2",
"formula_reduced": "VFeSb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.892015266666667,
"spacegroup": 194
},
{
"id": "jvasp-21469",
"created_at": "2022-09-04T14:37:52.569368Z",
"updated_at": "2022-09-04T14:37:52.569388Z",
"structure_string": "Te8 Rh3\n1.0\n6.529676 -0.008151 -0.090561\n-0.091712 6.529037 -0.090562\n-0.008047 -0.008150 6.530299\nTe Rh\n8 3\ndirect\n0.368828 0.368828 0.368828 Te\n0.631173 0.631173 0.631173 Te\n0.129778 0.627375 0.876614 Te\n0.876614 0.129778 0.627375 Te\n0.627375 0.876614 0.129779 Te\n0.870223 0.372626 0.123387 Te\n0.123387 0.870222 0.372626 Te\n0.372625 0.123387 0.870222 Te\n0.500001 0.500000 0.000000 Rh\n-0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Te",
"Rh"
],
"chemical_system": "Rh-Te",
"density": 7.93033751542147,
"density_atomic": 0.03951313856544755,
"volume": 278.388414572033,
"volume_molar": 15.240856531872891,
"formula_full": "Te8 Rh3",
"formula_reduced": "Te8Rh3",
"formula_anonymous": "A3B8",
"energy_above_hull": 1.727958284848485,
"spacegroup": 148
},
{
"id": "jvasp-21232",
"created_at": "2022-09-04T14:37:07.540651Z",
"updated_at": "2022-09-04T14:37:07.540674Z",
"structure_string": "Nd4 Rh4 O12\n1.0\n5.379336 0.000000 0.000000\n-0.000000 5.879534 0.000000\n0.000000 0.000000 7.815947\nNd Rh O\n4 4 12\ndirect\n0.474288 0.577652 0.750000 Nd\n0.974288 0.922347 0.250000 Nd\n0.025713 0.077653 0.750000 Nd\n0.525713 0.422347 0.250000 Nd\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.888347 0.464555 0.750000 O\n0.388347 0.035445 0.250000 O\n0.816572 0.195709 0.053238 O\n0.316571 0.304290 0.946762 O\n0.683429 0.695709 0.446762 O\n0.316571 0.304290 0.553238 O\n0.183429 0.804290 0.946762 O\n0.683429 0.695709 0.053238 O\n0.111654 0.535444 0.250000 O\n0.816572 0.195709 0.446762 O\n0.183429 0.804290 0.553238 O\n0.611654 0.964555 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"Rh",
"O"
],
"chemical_system": "Nd-O-Rh",
"density": 7.930350192179835,
"density_atomic": 0.08090527009186321,
"volume": 247.2026850326458,
"volume_molar": 7.443446827582692,
"formula_full": "Nd4 Rh4 O12",
"formula_reduced": "NdRhO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.040235,
"spacegroup": 62
}
]
}