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=4176",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4174",
"results": [
{
"id": "jvasp-65435",
"created_at": "2022-09-04T14:35:56.233919Z",
"updated_at": "2022-09-04T14:35:56.233943Z",
"structure_string": "Ba1 Hf2 Cl1\n1.0\n3.311936 -0.000000 0.000000\n0.000000 5.759823 0.000000\n0.000000 0.000000 6.467427\nBa Hf Cl\n1 2 1\ndirect\n0.500001 0.500000 0.500000 Ba\n0.000000 0.734879 0.000000 Hf\n0.000000 0.265121 0.000000 Hf\n0.500001 0.000000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Cl"
],
"chemical_system": "Ba-Cl-Hf",
"density": 7.130264687608445,
"density_atomic": 0.03242181940476778,
"volume": 123.37370553028809,
"volume_molar": 18.574345519654635,
"formula_full": "Ba1 Hf2 Cl1",
"formula_reduced": "BaHf2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7851365093750005,
"spacegroup": 47
},
{
"id": "jvasp-68237",
"created_at": "2022-09-04T14:35:56.232592Z",
"updated_at": "2022-09-04T14:35:56.232611Z",
"structure_string": "Be1 Cd1 Fe2\n1.0\n-2.083446 2.083446 2.955338\n2.083446 -2.083446 2.955338\n2.083446 2.083446 -2.955338\nBe Cd Fe\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Cd\n0.000000 0.000000 0.000000 Fe\n0.250000 0.750001 0.500001 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Fe"
],
"chemical_system": "Be-Cd-Fe",
"density": 7.543697819368551,
"density_atomic": 0.07795219428619328,
"volume": 51.31350100696872,
"volume_molar": 7.7254281488091845,
"formula_full": "Be1 Cd1 Fe2",
"formula_reduced": "BeCdFe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7807642124999998,
"spacegroup": 216
},
{
"id": "jvasp-105802",
"created_at": "2022-09-04T14:35:56.229310Z",
"updated_at": "2022-09-04T14:35:56.229330Z",
"structure_string": "Li1 Zr1 Pd2\n1.0\n3.931420 0.000000 2.269806\n1.310473 3.706577 2.269806\n0.000000 0.000000 4.539613\nLi Zr Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Pd\n0.749999 0.750001 0.750001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zr",
"Pd"
],
"chemical_system": "Li-Pd-Zr",
"density": 7.806838018389117,
"density_atomic": 0.06046703744763682,
"volume": 66.15174430306621,
"volume_molar": 9.959377892814821,
"formula_full": "Li1 Zr1 Pd2",
"formula_reduced": "LiZrPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9267814750000003,
"spacegroup": 225
},
{
"id": "jvasp-89888",
"created_at": "2022-09-04T14:35:56.220255Z",
"updated_at": "2022-09-04T14:35:56.220286Z",
"structure_string": "Li8 P8\n1.0\n4.942302 0.000000 0.000000\n0.000000 5.577266 -0.465842\n0.000000 -0.013276 9.072785\nLi P\n8 8\ndirect\n0.389348 0.112301 0.329316 Li\n0.889348 0.387699 0.170684 Li\n0.610651 0.887699 0.670684 Li\n0.110652 0.612301 0.829315 Li\n0.658925 0.806031 0.030739 Li\n0.158926 0.693970 0.469261 Li\n0.341074 0.193969 0.969261 Li\n0.841074 0.306030 0.530738 Li\n0.897202 0.979671 0.293757 P\n0.397202 0.520329 0.206243 P\n0.102798 0.020329 0.706243 P\n0.602798 0.479671 0.793757 P\n0.157284 0.808237 0.109808 P\n0.657284 0.691764 0.390192 P\n0.842715 0.191763 0.890192 P\n0.342716 0.308236 0.609807 P\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Li",
"P"
],
"chemical_system": "Li-P",
"density": 2.014230855620193,
"density_atomic": 0.06398553544855115,
"volume": 250.05651492695753,
"volume_molar": 9.411722067782371,
"formula_full": "Li8 P8",
"formula_reduced": "LiP",
"formula_anonymous": "AB",
"energy_above_hull": 0.92532775,
"spacegroup": 14
},
{
"id": "jvasp-89386",
"created_at": "2022-09-04T14:35:56.220147Z",
"updated_at": "2022-09-04T14:35:56.220164Z",
"structure_string": "C8 O8\n1.0\n6.891383 -0.092563 0.415311\n0.385444 6.881219 0.415311\n-0.099219 -0.092563 6.903174\nC O\n8 8\ndirect\n0.531734 0.531735 0.531734 C\n0.731914 0.036978 0.542484 C\n0.036977 0.542485 0.731915 C\n0.542484 0.731915 0.036978 C\n0.031735 0.031735 0.031735 C\n0.231915 0.042485 0.536977 C\n0.536977 0.231915 0.042484 C\n0.042484 0.536978 0.231915 C\n0.424966 0.302789 0.942376 O\n0.942376 0.424968 0.302789 O\n0.442376 0.802790 0.924966 O\n0.440554 0.440555 0.440554 O\n0.302788 0.942377 0.424967 O\n0.924966 0.442377 0.802788 O\n0.802788 0.924968 0.442376 O\n0.940553 0.940555 0.940554 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"C",
"O"
],
"chemical_system": "C-O",
"density": 1.1339518256909795,
"density_atomic": 0.04875967962791961,
"volume": 328.1399738901988,
"volume_molar": 12.350656948434386,
"formula_full": "C8 O8",
"formula_reduced": "CO",
"formula_anonymous": "AB",
"energy_above_hull": 2.6293667499999995,
"spacegroup": 161
},
{
"id": "jvasp-64588",
"created_at": "2022-09-04T14:35:56.218784Z",
"updated_at": "2022-09-04T14:35:56.218807Z",
"structure_string": "Ba4 Zn1 In1\n1.0\n0.000000 5.062657 5.062657\n5.062657 -0.000000 5.062657\n5.062657 5.062657 0.000000\nBa Zn In\n4 1 1\ndirect\n0.126201 0.624600 0.624600 Ba\n0.624600 0.624600 0.624600 Ba\n0.624600 0.126201 0.624600 Ba\n0.624600 0.624600 0.126201 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"In"
],
"chemical_system": "Ba-In-Zn",
"density": 4.667987889217862,
"density_atomic": 0.02311988881511641,
"volume": 259.51681895965856,
"volume_molar": 26.047446889375014,
"formula_full": "Ba4 Zn1 In1",
"formula_reduced": "Ba4ZnIn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-68337",
"created_at": "2022-09-04T14:35:56.217492Z",
"updated_at": "2022-09-04T14:35:56.217514Z",
"structure_string": "Na1 Be1 Tl2\n1.0\n-2.160466 2.160466 4.993366\n2.160466 -2.160466 4.993366\n2.160466 2.160466 -4.993366\nNa Be Tl\n1 1 2\ndirect\n0.750001 0.250000 0.500001 Na\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750001 0.500001 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Tl"
],
"chemical_system": "Be-Na-Tl",
"density": 7.850755178919424,
"density_atomic": 0.042905377562707625,
"volume": 93.22840695560522,
"volume_molar": 14.035864737930442,
"formula_full": "Na1 Be1 Tl2",
"formula_reduced": "NaBeTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.057755075,
"spacegroup": 119
},
{
"id": "jvasp-63072",
"created_at": "2022-09-04T14:35:56.211187Z",
"updated_at": "2022-09-04T14:35:56.211220Z",
"structure_string": "Er1 Si2 Au2\n1.0\n-2.149487 2.149487 5.032968\n2.149487 -2.149487 5.032968\n2.149487 2.149487 -5.032968\nEr Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.613622 0.613622 0.000000 Si\n0.386378 0.386378 0.000000 Si\n0.750001 0.250000 0.500001 Au\n0.250000 0.750001 0.500001 Au\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"Si",
"Au"
],
"chemical_system": "Au-Er-Si",
"density": 11.021380242478497,
"density_atomic": 0.053754669761822825,
"volume": 93.01517472163984,
"volume_molar": 11.203009499794177,
"formula_full": "Er1 Si2 Au2",
"formula_reduced": "Er(SiAu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7135244679999997,
"spacegroup": 139
},
{
"id": "jvasp-69390",
"created_at": "2022-09-04T14:35:56.208332Z",
"updated_at": "2022-09-04T14:35:56.208363Z",
"structure_string": "Be2 Zn1 Ga1\n1.0\n-1.818037 1.818037 3.711416\n1.818037 -1.818037 3.711416\n1.818037 1.818037 -3.711416\nBe Zn Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Zn\n0.500000 0.500000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Ga"
],
"chemical_system": "Be-Ga-Zn",
"density": 5.182974626999558,
"density_atomic": 0.08151826526800086,
"volume": 49.06875761952895,
"volume_molar": 7.387474132578146,
"formula_full": "Be2 Zn1 Ga1",
"formula_reduced": "Be2ZnGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.690377578125,
"spacegroup": 119
},
{
"id": "jvasp-71998",
"created_at": "2022-09-04T14:35:56.206520Z",
"updated_at": "2022-09-04T14:35:56.206552Z",
"structure_string": "Be1 Fe2 Ge1\n1.0\n-1.742209 1.742209 3.696404\n1.742209 -1.742209 3.696404\n1.742209 1.742209 -3.696404\nBe Fe Ge\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Fe\n0.250000 0.750000 0.500000 Fe\n0.499999 0.499999 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Ge"
],
"chemical_system": "Be-Fe-Ge",
"density": 7.153783363659041,
"density_atomic": 0.08912921112556581,
"volume": 44.87866491227858,
"volume_molar": 6.756640930565367,
"formula_full": "Be1 Fe2 Ge1",
"formula_reduced": "BeFe2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3669532625,
"spacegroup": 119
},
{
"id": "jvasp-91891",
"created_at": "2022-09-04T14:35:56.205015Z",
"updated_at": "2022-09-04T14:35:56.205043Z",
"structure_string": "Mg7 Fe1\n1.0\n6.206290 -0.000000 -0.000000\n-3.103146 5.374804 -0.000000\n-0.000000 -0.000000 4.902065\nMg Fe\n7 1\ndirect\n0.167215 0.833607 0.250000 Mg\n0.666392 0.332784 0.250000 Mg\n0.666391 0.833607 0.250000 Mg\n0.324738 0.175262 0.749999 Mg\n0.324737 0.649476 0.749999 Mg\n0.850523 0.175262 0.749999 Mg\n0.833332 0.666666 0.749999 Mg\n0.166667 0.333333 0.250000 Fe\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Fe"
],
"chemical_system": "Fe-Mg",
"density": 2.2948026334049207,
"density_atomic": 0.04892335420677539,
"volume": 163.52108578221893,
"volume_molar": 12.309337447606964,
"formula_full": "Mg7 Fe1",
"formula_reduced": "Mg7Fe",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-64941",
"created_at": "2022-09-04T14:35:56.203459Z",
"updated_at": "2022-09-04T14:35:56.203475Z",
"structure_string": "Be2 Sb1 Pt1\n1.0\n-1.874291 1.874291 4.194593\n1.874291 -1.874291 4.194593\n1.874291 1.874291 -4.194593\nBe Sb Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Sb\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Sb",
"Pt"
],
"chemical_system": "Be-Pt-Sb",
"density": 9.434075753414094,
"density_atomic": 0.06786348100317556,
"volume": 58.94186300011381,
"volume_molar": 8.873904891083033,
"formula_full": "Be2 Sb1 Pt1",
"formula_reduced": "Be2SbPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.034564925,
"spacegroup": 119
}
]
}