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=id&page=216",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=214",
"results": [
{
"id": "jvasp-103352",
"created_at": "2022-09-04T14:36:44.172876Z",
"updated_at": "2022-09-04T14:36:44.172901Z",
"structure_string": "Ce1 B2 Pd2 C1\n1.0\n3.635064 -0.002707 -4.752408\n-0.418891 3.610848 -4.752408\n0.002413 0.002707 5.983231\nCe B Pd C\n1 2 2 1\ndirect\n0.500000 0.500000 -0.000001 Ce\n0.137850 0.137850 -0.000000 B\n0.862149 0.862150 -0.000001 B\n0.749999 0.250000 0.499998 Pd\n0.249999 0.750001 0.500000 Pd\n0.000000 0.000000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ce",
"B",
"Pd",
"C"
],
"chemical_system": "B-C-Ce-Pd",
"density": 8.16509858291489,
"density_atomic": 0.07631579454223454,
"volume": 78.62068443354136,
"volume_molar": 7.891080471772116,
"formula_full": "Ce1 B2 Pd2 C1",
"formula_reduced": "CeB2Pd2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.7032753444444446,
"spacegroup": 139
},
{
"id": "jvasp-103355",
"created_at": "2022-09-04T14:36:44.792399Z",
"updated_at": "2022-09-04T14:36:44.792424Z",
"structure_string": "Dy1 H3\n1.0\n3.834661 0.000000 0.000000\n-1.917331 3.320914 -0.000000\n-0.000000 0.000000 4.270642\nDy H\n1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666666 0.004171 H\n0.666667 0.333333 0.995829 H\n0.000000 0.000000 0.500000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Dy",
"H"
],
"chemical_system": "Dy-H",
"density": 5.053960293508382,
"density_atomic": 0.07354992240627678,
"volume": 54.384829638632475,
"volume_molar": 8.187827482311617,
"formula_full": "Dy1 H3",
"formula_reduced": "DyH3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.172551625,
"spacegroup": 191
},
{
"id": "jvasp-103358",
"created_at": "2022-09-04T14:37:12.725262Z",
"updated_at": "2022-09-04T14:37:12.725282Z",
"structure_string": "Pb4 Br2 O2 F2\n1.0\n7.084853 0.032862 0.000000\n-4.690223 5.310181 -0.000000\n-0.000000 -0.000000 5.860352\nPb Br O F\n4 2 2 2\ndirect\n0.399671 0.600329 0.221049 Pb\n0.600329 0.399671 0.778950 Pb\n0.100329 0.899671 0.221049 Pb\n0.899670 0.100329 0.778950 Pb\n0.750000 0.250000 0.233882 Br\n0.250000 0.750000 0.766118 Br\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n0.250000 0.250000 0.500000 F\n0.750000 0.750000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Pb",
"Br",
"O",
"F"
],
"chemical_system": "Br-F-O-Pb",
"density": 7.940411368819362,
"density_atomic": 0.04517108640360234,
"volume": 221.38055105981493,
"volume_molar": 13.331848400085729,
"formula_full": "Pb4 Br2 O2 F2",
"formula_reduced": "Pb2BrOF",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2427399054999998,
"spacegroup": 67
},
{
"id": "jvasp-10336",
"created_at": "2022-09-04T14:37:27.918893Z",
"updated_at": "2022-09-04T14:37:27.918922Z",
"structure_string": "Cr2 Ge4 O12\n1.0\n5.367420 0.079405 1.290025\n1.506298 6.404498 0.766927\n0.193896 0.011751 6.620950\nCr Ge O\n2 4 12\ndirect\n0.750001 0.909961 0.090040 Cr\n0.250001 0.090038 0.909961 Cr\n0.757357 0.387403 0.204661 Ge\n0.742644 0.795339 0.612598 Ge\n0.242644 0.612597 0.795340 Ge\n0.257357 0.204660 0.387403 Ge\n0.626352 0.971133 0.824744 O\n0.873649 0.175256 0.028867 O\n0.749058 0.636672 0.072696 O\n0.750943 0.927304 0.363329 O\n0.250943 0.363328 0.927305 O\n0.567724 0.599896 0.667390 O\n-0.067723 0.332610 0.400104 O\n0.126352 0.824743 0.971134 O\n0.067724 0.667390 0.599896 O\n0.432277 0.400103 0.332610 O\n0.249059 0.072695 0.636673 O\n0.373649 0.028866 0.175257 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cr",
"Ge",
"O"
],
"chemical_system": "Cr-Ge-O",
"density": 4.325118473178678,
"density_atomic": 0.07993188939414181,
"volume": 225.1917243097123,
"volume_molar": 7.5340903432233395,
"formula_full": "Cr2 Ge4 O12",
"formula_reduced": "Cr(GeO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.5513667,
"spacegroup": 15
},
{
"id": "jvasp-103360",
"created_at": "2022-09-04T14:37:14.086404Z",
"updated_at": "2022-09-04T14:37:14.086415Z",
"structure_string": "Eu1 Ni1 P1\n1.0\n3.940235 0.000000 0.000000\n-1.970117 3.412344 -0.000000\n-0.000000 -0.000000 3.936017\nEu Ni P\n1 1 1\ndirect\n0.666666 0.333333 0.500000 Eu\n0.333332 0.666666 0.000000 Ni\n0.000000 0.000000 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Eu",
"Ni",
"P"
],
"chemical_system": "Eu-Ni-P",
"density": 7.5817619390744015,
"density_atomic": 0.05668776813856713,
"volume": 52.921469631099676,
"volume_molar": 10.62335131148492,
"formula_full": "Eu1 Ni1 P1",
"formula_reduced": "EuNiP",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2228526333333334,
"spacegroup": 187
},
{
"id": "jvasp-103366",
"created_at": "2022-09-04T14:38:40.649895Z",
"updated_at": "2022-09-04T14:38:40.649931Z",
"structure_string": "Rb1 P2 Ru2\n1.0\n3.879579 -0.006363 -5.974835\n-0.345644 3.864156 -5.974835\n0.005829 0.006363 7.123886\nRb P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.337318 0.337318 0.000001 P\n0.662684 0.662684 0.000003 P\n0.750001 0.250000 0.500002 Ru\n0.250001 0.750001 0.500002 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"P",
"Ru"
],
"chemical_system": "P-Rb-Ru",
"density": 5.420915113939108,
"density_atomic": 0.04669577550967917,
"volume": 107.07606727644115,
"volume_molar": 12.896542983319172,
"formula_full": "Rb1 P2 Ru2",
"formula_reduced": "Rb(PRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.8601144,
"spacegroup": 139
},
{
"id": "jvasp-103367",
"created_at": "2022-09-04T14:36:45.602842Z",
"updated_at": "2022-09-04T14:36:45.602861Z",
"structure_string": "Nd1 Al2 Si2\n1.0\n4.250519 -0.000000 0.000000\n-2.125260 3.681058 -0.000000\n0.000000 -0.000000 6.847349\nNd Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.333333 0.666667 0.641763 Al\n0.666667 0.333333 0.358237 Al\n0.333333 0.666667 0.268986 Si\n0.666667 0.333333 0.731014 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Si"
],
"chemical_system": "Al-Nd-Si",
"density": 3.9426504705013095,
"density_atomic": 0.04666947531071576,
"volume": 107.13640911347362,
"volume_molar": 12.903810724045698,
"formula_full": "Nd1 Al2 Si2",
"formula_reduced": "Nd(AlSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.31778486,
"spacegroup": 164
},
{
"id": "jvasp-10337",
"created_at": "2022-09-04T14:37:28.589905Z",
"updated_at": "2022-09-04T14:37:28.589928Z",
"structure_string": "Ca2 V4 O10\n1.0\n3.759646 0.000000 0.000000\n-1.879822 5.557237 0.000000\n0.000000 0.000000 11.186433\nCa V O\n2 4 10\ndirect\n0.898827 0.797649 0.750000 Ca\n0.101176 0.202352 0.250000 Ca\n0.202715 0.405431 0.596354 V\n0.797288 0.594571 0.403645 V\n0.797288 0.594571 0.096355 V\n0.202715 0.405431 0.903646 V\n0.711603 0.423203 0.250000 O\n0.288401 0.576799 0.750000 O\n0.240679 0.481355 0.074665 O\n0.759325 0.518647 0.925335 O\n0.759325 0.518647 0.574665 O\n0.240679 0.481355 0.425334 O\n0.055643 0.111284 0.616895 O\n0.944359 0.888715 0.383105 O\n0.055643 0.111284 0.883105 O\n0.944359 0.888715 0.116896 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 3.1539325186451572,
"density_atomic": 0.06845772833197697,
"volume": 233.72087257131952,
"volume_molar": 8.796874957340682,
"formula_full": "Ca2 V4 O10",
"formula_reduced": "CaV2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.61873829,
"spacegroup": 63
},
{
"id": "jvasp-103370",
"created_at": "2022-09-04T14:37:15.775691Z",
"updated_at": "2022-09-04T14:37:15.775724Z",
"structure_string": "Np2 S1 O2\n1.0\n3.856793 -0.000000 -0.000000\n-1.928396 3.340080 -0.000000\n0.000000 -0.000000 6.601730\nNp S O\n2 1 2\ndirect\n0.333332 0.666667 0.274836 Np\n0.666666 0.333333 0.725164 Np\n0.000000 0.000000 0.000000 S\n0.333332 0.666667 0.628308 O\n0.666666 0.333333 0.371692 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"S",
"O"
],
"chemical_system": "Np-O-S",
"density": 10.506109291352924,
"density_atomic": 0.05879346372524565,
"volume": 85.04346713379675,
"volume_molar": 10.242874595963157,
"formula_full": "Np2 S1 O2",
"formula_reduced": "Np2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.8968294,
"spacegroup": 164
},
{
"id": "jvasp-103371",
"created_at": "2022-09-04T14:36:36.762353Z",
"updated_at": "2022-09-04T14:36:36.762378Z",
"structure_string": "Ba2 Tb1 Ta1 O6\n1.0\n5.224975 -0.000000 3.016641\n1.741659 4.926153 3.016641\n-0.000000 -0.000000 6.033281\nTb Ba Ta O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Tb\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ta\n0.764527 0.235472 0.235473 O\n0.235473 0.764527 0.764527 O\n0.235473 0.764527 0.235472 O\n0.764527 0.235472 0.764528 O\n0.235472 0.235472 0.764527 O\n0.764527 0.764527 0.235473 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"Ba",
"Ta",
"O"
],
"chemical_system": "Ba-O-Ta-Tb",
"density": 7.597696781060093,
"density_atomic": 0.0643953241683947,
"volume": 155.29077816038097,
"volume_molar": 9.35182924811748,
"formula_full": "Ba2 Tb1 Ta1 O6",
"formula_reduced": "Ba2TbTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.307333054,
"spacegroup": 225
},
{
"id": "jvasp-103372",
"created_at": "2022-09-04T14:36:37.954647Z",
"updated_at": "2022-09-04T14:36:37.954672Z",
"structure_string": "Al1 Ni3 C1\n1.0\n3.778640 0.000000 0.000000\n0.000000 3.778640 0.000000\n0.000000 0.000000 3.778640\nAl Ni C\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Ni",
"C"
],
"chemical_system": "Al-C-Ni",
"density": 6.619532274627682,
"density_atomic": 0.09267518282778921,
"volume": 53.95187629994856,
"volume_molar": 6.498115866887964,
"formula_full": "Al1 Ni3 C1",
"formula_reduced": "AlNi3C",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.271076,
"spacegroup": 221
},
{
"id": "jvasp-103375",
"created_at": "2022-09-04T14:36:33.842362Z",
"updated_at": "2022-09-04T14:36:33.842389Z",
"structure_string": "Fe2 Si1 Ni1\n1.0\n3.453504 0.000000 1.993881\n1.151168 3.255994 1.993881\n0.000000 0.000000 3.987762\nFe Si Ni\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Fe\n0.750000 0.749999 0.750000 Si\n0.500000 0.499999 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Si",
"Ni"
],
"chemical_system": "Fe-Ni-Si",
"density": 7.349685747712569,
"density_atomic": 0.0892045899983051,
"volume": 44.84074194025218,
"volume_molar": 6.7509314936758535,
"formula_full": "Fe2 Si1 Ni1",
"formula_reduced": "Fe2SiNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6968605,
"spacegroup": 216
}
]
}