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=-nelements&page=960",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=958",
"results": [
{
"id": "jvasp-88239",
"created_at": "2022-09-04T14:36:16.718149Z",
"updated_at": "2022-09-04T14:36:16.718175Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.304823 0.003159 0.037436\n0.003159 6.304823 0.037436\n0.065888 0.065888 11.027715\nSr H O\n2 32 20\ndirect\n0.000815 -0.001361 0.251267 Sr\n-0.001361 0.000815 0.751268 Sr\n0.282500 0.390475 0.645515 H\n0.140144 0.313688 0.533060 H\n0.393010 0.724876 0.649167 H\n0.454266 0.970005 0.631834 H\n0.614368 0.277728 0.645910 H\n0.689052 0.137485 0.531670 H\n0.137485 0.689051 0.031670 H\n0.970005 0.454265 0.131834 H\n0.724876 0.393010 0.149166 H\n0.549107 0.973803 0.131837 H\n0.611493 0.729019 0.149520 H\n0.390475 0.282500 0.145515 H\n0.313688 0.140144 0.033060 H\n0.973803 0.549107 0.631838 H\n0.729019 0.611493 0.649521 H\n0.277727 0.614367 0.145910 H\n0.608923 0.717022 0.857001 H\n0.685712 0.859384 0.969455 H\n0.025725 0.450301 0.370679 H\n0.270517 0.387913 0.353010 H\n0.717021 0.608923 0.357000 H\n0.606484 0.274540 0.353363 H\n0.545207 0.029419 0.370723 H\n0.385117 0.721698 0.356650 H\n0.859384 0.685711 0.469455 H\n0.310410 0.861942 0.470882 H\n0.721698 0.385117 0.856650 H\n0.861942 0.310410 0.970882 H\n0.029419 0.545207 0.870723 H\n0.274540 0.606484 0.853363 H\n0.450301 0.025725 0.870679 H\n0.387913 0.270517 0.853011 H\n0.326775 0.125936 0.876724 O\n0.134400 0.676054 0.122557 O\n0.676054 0.134400 0.622557 O\n0.331575 0.869432 0.626389 O\n0.138897 0.329212 0.623561 O\n0.873591 0.672633 0.625795 O\n0.670186 0.860627 0.878955 O\n0.869432 0.331574 0.126388 O\n0.129988 0.667903 0.876168 O\n0.497705 0.495146 0.819110 O\n0.323418 0.865023 0.379994 O\n0.667903 0.129988 0.376168 O\n0.860627 0.670186 0.378955 O\n0.125936 0.326775 0.376724 O\n0.501725 0.504359 0.183425 O\n0.504359 0.501725 0.683425 O\n0.495146 0.497705 0.319110 O\n0.672633 0.873591 0.125794 O\n0.865023 0.323419 0.879995 O\n0.329212 0.138896 0.123560 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 1.9982801999214794,
"density_atomic": 0.12319507250073118,
"volume": 438.3292196989413,
"volume_molar": 4.8882967782370175,
"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.0282796781481487,
"spacegroup": 15
},
{
"id": "jvasp-67238",
"created_at": "2022-09-04T14:36:16.720844Z",
"updated_at": "2022-09-04T14:36:16.720860Z",
"structure_string": "Mn1 Be1 Ga1\n1.0\n-1.400241 1.400241 4.367783\n1.400241 -1.400241 4.367783\n1.400241 1.400241 -4.367783\nMn Be Ga\n1 1 1\ndirect\n0.650225 0.650225 0.000000 Mn\n0.012792 0.012792 0.000000 Be\n0.336983 0.336983 0.000000 Ga\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-Mn",
"density": 6.479879131437184,
"density_atomic": 0.08757792070985171,
"volume": 34.25520925461442,
"volume_molar": 6.876323063151424,
"formula_full": "Mn1 Be1 Ga1",
"formula_reduced": "MnBeGa",
"formula_anonymous": "ABC",
"energy_above_hull": 1.690755222126437,
"spacegroup": 107
},
{
"id": "jvasp-65180",
"created_at": "2022-09-04T14:36:15.952852Z",
"updated_at": "2022-09-04T14:36:15.952883Z",
"structure_string": "Be1 Ge4 Pt1\n1.0\n-0.000000 3.813377 3.813377\n3.813377 0.000000 3.813377\n3.813377 3.813377 0.000000\nBe Ge Pt\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.124713 0.625096 0.625096 Ge\n0.625096 0.625096 0.625096 Ge\n0.625096 0.124713 0.625096 Ge\n0.625096 0.625096 0.124713 Ge\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Ge",
"Pt"
],
"chemical_system": "Be-Ge-Pt",
"density": 7.406163823513098,
"density_atomic": 0.05409934739547495,
"volume": 110.90706799361243,
"volume_molar": 11.131632912273748,
"formula_full": "Be1 Ge4 Pt1",
"formula_reduced": "BeGe4Pt",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5381068833333331,
"spacegroup": 216
},
{
"id": "jvasp-1795",
"created_at": "2022-09-04T14:36:15.967616Z",
"updated_at": "2022-09-04T14:36:15.967652Z",
"structure_string": "Rb1 Y1 O2\n1.0\n3.380060 0.002559 5.915462\n1.572821 2.991830 5.915462\n0.004232 0.002559 6.813038\nRb Y O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500000 0.500000 Y\n0.774427 0.774428 0.774427 O\n0.225572 0.225573 0.225573 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Y",
"O"
],
"chemical_system": "O-Rb-Y",
"density": 4.983293534299063,
"density_atomic": 0.058166863110493086,
"volume": 68.76767606328791,
"volume_molar": 10.353215624780061,
"formula_full": "Rb1 Y1 O2",
"formula_reduced": "RbYO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9489981125,
"spacegroup": 166
},
{
"id": "jvasp-74201",
"created_at": "2022-09-04T14:36:15.968769Z",
"updated_at": "2022-09-04T14:36:15.968794Z",
"structure_string": "Ca2 Ta1 Be1\n1.0\n5.473370 0.000000 -0.000000\n0.000000 5.473370 0.000000\n0.000000 0.000000 3.097689\nCa Ta Be\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.500000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ta",
"Be"
],
"chemical_system": "Be-Ca-Ta",
"density": 4.833392663506746,
"density_atomic": 0.04310350263887355,
"volume": 92.7998829587584,
"volume_molar": 13.971348942229211,
"formula_full": "Ca2 Ta1 Be1",
"formula_reduced": "Ca2TaBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.131934035,
"spacegroup": 123
},
{
"id": "jvasp-71886",
"created_at": "2022-09-04T14:36:15.969580Z",
"updated_at": "2022-09-04T14:36:15.969605Z",
"structure_string": "Be1 Zn1 Fe2\n1.0\n-1.748093 1.748093 3.656135\n1.748093 -1.748093 3.656135\n1.748093 1.748093 -3.656135\nBe Zn Fe\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Be\n0.250000 0.749999 0.499999 Zn\n0.000000 0.000000 0.000000 Fe\n0.499999 0.499999 0.000000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Fe"
],
"chemical_system": "Be-Fe-Zn",
"density": 6.91528817257899,
"density_atomic": 0.08950529105903035,
"volume": 44.69009544208876,
"volume_molar": 6.728251133252323,
"formula_full": "Be1 Zn1 Fe2",
"formula_reduced": "BeZnFe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7791343749999995,
"spacegroup": 139
},
{
"id": "jvasp-91980",
"created_at": "2022-09-04T14:36:15.971973Z",
"updated_at": "2022-09-04T14:36:15.972010Z",
"structure_string": "V4 C2 N2\n1.0\n4.780912 -0.000024 3.380628\n2.371757 2.927646 6.787748\n-0.018677 0.000026 5.097424\nV C N\n4 2 2\ndirect\n0.993667 0.003268 0.010567 V\n0.507781 0.003238 0.982338 V\n0.257786 0.503187 0.982390 V\n0.743651 0.503239 0.010596 V\n0.750723 0.003233 0.496474 C\n0.500724 0.503223 0.496489 C\n0.250704 0.003217 0.496494 N\n0.000727 0.503254 0.496439 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"C",
"N"
],
"chemical_system": "C-N-V",
"density": 5.938124001820339,
"density_atomic": 0.11183770684580983,
"volume": 71.53222491435349,
"volume_molar": 5.384714091377696,
"formula_full": "V4 C2 N2",
"formula_reduced": "V2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.7615179125,
"spacegroup": 141
},
{
"id": "jvasp-64083",
"created_at": "2022-09-04T14:36:15.986250Z",
"updated_at": "2022-09-04T14:36:15.986277Z",
"structure_string": "Ba4 Ta1 Hg1\n1.0\n0.000000 4.929690 4.929690\n4.929690 -0.000000 4.929690\n4.929690 4.929690 -0.000000\nBa Ta Hg\n4 1 1\ndirect\n0.124462 0.625179 0.625179 Ba\n0.625179 0.625179 0.625179 Ba\n0.625179 0.124462 0.625179 Ba\n0.625179 0.625179 0.124462 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Hg"
],
"chemical_system": "Ba-Hg-Ta",
"density": 6.451163562951108,
"density_atomic": 0.025041620244567468,
"volume": 239.6011097285784,
"volume_molar": 24.048526817295077,
"formula_full": "Ba4 Ta1 Hg1",
"formula_reduced": "Ba4TaHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9194962799999996,
"spacegroup": 216
},
{
"id": "jvasp-65126",
"created_at": "2022-09-04T14:36:16.001571Z",
"updated_at": "2022-09-04T14:36:16.001598Z",
"structure_string": "Na4 Be1 Sn1\n1.0\n-0.000000 4.262128 4.262128\n4.262128 -0.000000 4.262128\n4.262128 4.262128 -0.000000\nNa Be Sn\n4 1 1\ndirect\n0.125246 0.624918 0.624918 Na\n0.624918 0.624918 0.624918 Na\n0.624918 0.125246 0.624918 Na\n0.624918 0.624918 0.125246 Na\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Be",
"Sn"
],
"chemical_system": "Be-Na-Sn",
"density": 2.3557686936439324,
"density_atomic": 0.03874733074507259,
"volume": 154.8493763215678,
"volume_molar": 15.542079013444873,
"formula_full": "Na4 Be1 Sn1",
"formula_reduced": "Na4BeSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-69261",
"created_at": "2022-09-04T14:36:16.004458Z",
"updated_at": "2022-09-04T14:36:16.004490Z",
"structure_string": "Ba1 Zr2 Pd1\n1.0\n-2.140000 2.140000 5.559142\n2.140000 -2.140000 5.559142\n2.140000 2.140000 -5.559142\nBa Zr Pd\n1 2 1\ndirect\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Pd"
],
"chemical_system": "Ba-Pd-Zr",
"density": 6.949637344633793,
"density_atomic": 0.03927938557214457,
"volume": 101.83458681280001,
"volume_molar": 15.331555400578036,
"formula_full": "Ba1 Zr2 Pd1",
"formula_reduced": "BaZr2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5721726675,
"spacegroup": 139
},
{
"id": "jvasp-86293",
"created_at": "2022-09-04T14:36:16.012457Z",
"updated_at": "2022-09-04T14:36:16.012476Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.217850 0.117115 11.095191\n2.133584 3.640301 11.095191\n0.197969 0.117115 11.868208\nCa Si Br\n3 1 2\ndirect\n0.451224 0.451226 0.451225 Ca\n0.571094 0.571096 0.571094 Ca\n0.000860 0.000860 0.000860 Ca\n0.285851 0.285853 0.285852 Si\n0.841990 0.841994 0.841991 Br\n0.727977 0.727980 0.727978 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 3.0308824877618656,
"density_atomic": 0.035541912308304655,
"volume": 168.81477698649465,
"volume_molar": 16.943772489677993,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1136830116666666,
"spacegroup": 160
},
{
"id": "jvasp-75017",
"created_at": "2022-09-04T14:36:16.013146Z",
"updated_at": "2022-09-04T14:36:16.013174Z",
"structure_string": "Be2 Re1 Ru1\n1.0\n-1.983997 1.983997 3.025196\n1.983997 -1.983997 3.025196\n1.983997 1.983997 -3.025196\nBe Re Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500001 0.500001 0.000000 Re\n0.750001 0.250000 0.500001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Re",
"Ru"
],
"chemical_system": "Be-Re-Ru",
"density": 10.643447223517638,
"density_atomic": 0.0839777936580784,
"volume": 47.63163957708017,
"volume_molar": 7.171110954069092,
"formula_full": "Be2 Re1 Ru1",
"formula_reduced": "Be2ReRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.776875175,
"spacegroup": 119
}
]
}