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=created_at&page=4419",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4417",
"results": [
{
"id": "jvasp-106961",
"created_at": "2022-09-04T14:38:49.045383Z",
"updated_at": "2022-09-04T14:38:49.045411Z",
"structure_string": "Li1 Nd1 Au2\n1.0\n4.312034 0.000000 2.489554\n1.437345 4.065425 2.489554\n-0.000000 -0.000000 4.979108\nLi Nd Au\n1 1 2\ndirect\n0.499999 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.749999 0.749999 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Nd",
"Au"
],
"chemical_system": "Au-Li-Nd",
"density": 10.370470496328211,
"density_atomic": 0.045826882562701,
"volume": 87.28501212202559,
"volume_molar": 13.14106573092861,
"formula_full": "Li1 Nd1 Au2",
"formula_reduced": "LiNdAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6080416600000002,
"spacegroup": 225
},
{
"id": "jvasp-113256",
"created_at": "2022-09-04T14:38:49.049209Z",
"updated_at": "2022-09-04T14:38:49.049223Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.988858 -0.000203 0.000054\n0.000490 11.390505 -0.003978\n-0.000064 0.002208 5.973821\nLi Mn P O\n4 4 4 16\ndirect\n0.992073 0.065314 0.220390 Li\n0.492177 0.434674 0.720459 Li\n0.992178 0.565321 0.279598 Li\n0.492071 0.934681 0.779549 Li\n0.987109 0.328996 0.965980 Mn\n0.487112 0.671002 0.034062 Mn\n0.487013 0.170999 0.465902 Mn\n0.987011 0.829000 0.534054 Mn\n0.497727 0.914969 0.263172 P\n0.997822 0.585026 0.763219 P\n0.497819 0.414976 0.236833 P\n0.997727 0.085033 0.736771 P\n0.390996 0.354540 0.019505 O\n0.890908 0.145460 0.519430 O\n0.411762 0.844282 0.051922 O\n0.911832 0.655711 0.551967 O\n0.411831 0.344292 0.448087 O\n0.911761 0.155721 0.948020 O\n0.807810 0.918531 0.277714 O\n0.883374 0.458748 0.741341 O\n0.807904 0.418534 0.222299 O\n0.307809 0.081467 0.722235 O\n0.883273 0.958755 0.758675 O\n0.383377 0.541256 0.258711 O\n0.891006 0.645459 0.980554 O\n0.383280 0.041248 0.241270 O\n0.307906 0.581463 0.777748 O\n0.390901 0.854540 0.480509 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.069010363811319,
"density_atomic": 0.08248246807424792,
"volume": 339.466078716211,
"volume_molar": 7.301116104550937,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.548150963054187,
"spacegroup": 33
},
{
"id": "jvasp-118923",
"created_at": "2022-09-04T14:38:49.049510Z",
"updated_at": "2022-09-04T14:38:49.049521Z",
"structure_string": "Au1 C1\n1.0\n3.553168 -0.000000 -0.000000\n-1.776584 3.077134 0.000000\n-0.000000 0.000000 2.980267\nAu C\n1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.333334 0.666667 0.000000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Au",
"C"
],
"chemical_system": "Au-C",
"density": 10.649539330030738,
"density_atomic": 0.06137799120799516,
"volume": 32.584969964599914,
"volume_molar": 9.811563789359644,
"formula_full": "Au1 C1",
"formula_reduced": "AuC",
"formula_anonymous": "AB",
"energy_above_hull": 3.137328785,
"spacegroup": 187
},
{
"id": "jvasp-118019",
"created_at": "2022-09-04T14:38:49.051295Z",
"updated_at": "2022-09-04T14:38:49.051330Z",
"structure_string": "Mg1 H1 Cl1\n1.0\n5.682190 -1.363197 0.000000\n-4.116200 4.147005 0.000000\n0.000000 0.000000 4.326283\nMg H Cl\n1 1 1\ndirect\n0.644276 0.689144 0.000000 Mg\n0.052556 0.281225 0.000000 H\n0.303166 0.029628 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"H",
"Cl"
],
"chemical_system": "Cl-H-Mg",
"density": 1.2991529767233774,
"density_atomic": 0.03862533236861742,
"volume": 77.66923456786772,
"volume_molar": 15.591168776305242,
"formula_full": "Mg1 H1 Cl1",
"formula_reduced": "MgHCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2941743724999999,
"spacegroup": 38
},
{
"id": "jvasp-116514",
"created_at": "2022-09-04T14:38:49.051666Z",
"updated_at": "2022-09-04T14:38:49.051676Z",
"structure_string": "Li4 Mn4 F12\n1.0\n6.321220 -0.026237 0.000000\n-1.941855 6.015622 0.000000\n-0.000000 -0.000000 6.390945\nLi Mn F\n4 4 12\ndirect\n0.499997 0.500002 0.750001 Li\n0.000072 0.999927 0.250000 Li\n0.500002 0.499997 0.250000 Li\n0.999927 0.000072 0.750001 Li\n0.500000 -0.000000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.806986 0.551404 0.250000 F\n0.551403 0.806986 0.750001 F\n0.136375 0.863624 -0.000014 F\n0.863624 0.136375 0.499987 F\n0.863624 0.136375 0.000014 F\n0.192996 0.448663 0.250000 F\n0.193013 0.448596 0.750001 F\n0.448596 0.193013 0.250000 F\n0.551336 0.807003 0.250000 F\n0.448663 0.192996 0.750001 F\n0.136375 0.863624 0.500014 F\n0.807003 0.551336 0.750001 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.2533638876980793,
"density_atomic": 0.08240731076680632,
"volume": 242.69691382837846,
"volume_molar": 7.307774885460428,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.425083617775862,
"spacegroup": 65
},
{
"id": "jvasp-119932",
"created_at": "2022-09-04T14:38:49.052174Z",
"updated_at": "2022-09-04T14:38:49.052193Z",
"structure_string": "Ba1 Ca1 Br2\n1.0\n4.212349 0.000000 -0.000000\n0.000000 4.212349 0.000000\n-0.000000 0.000000 7.942599\nBa Ca Br\n1 1 2\ndirect\n0.500001 0.500001 0.809150 Ba\n0.000000 0.000000 0.392423 Ca\n0.000000 0.000000 0.007015 Br\n0.500001 0.500001 0.291412 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Br"
],
"chemical_system": "Ba-Br-Ca",
"density": 3.9732151022833286,
"density_atomic": 0.02838237034038042,
"volume": 140.93255609131012,
"volume_molar": 21.217892261211627,
"formula_full": "Ba1 Ca1 Br2",
"formula_reduced": "BaCaBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-113441",
"created_at": "2022-09-04T14:38:49.061947Z",
"updated_at": "2022-09-04T14:38:49.061970Z",
"structure_string": "Li1 B1 O1\n1.0\n-0.000000 2.468197 2.468197\n2.468197 0.000000 2.468197\n2.468197 2.468197 0.000000\nLi B O\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 B\n0.250000 0.250000 0.250000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"B",
"O"
],
"chemical_system": "B-Li-O",
"density": 1.8636803811504121,
"density_atomic": 0.09975893377000758,
"volume": 30.072494629066963,
"volume_molar": 6.036693188686175,
"formula_full": "Li1 B1 O1",
"formula_reduced": "LiBO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.275248694444445,
"spacegroup": 216
},
{
"id": "jvasp-118932",
"created_at": "2022-09-04T14:38:49.080242Z",
"updated_at": "2022-09-04T14:38:49.080270Z",
"structure_string": "Li1 Ga1 Au1\n1.0\n2.774594 0.000000 -0.000000\n-0.000000 2.774594 0.000000\n-0.000000 0.000000 7.649257\nLi Ga Au\n1 1 1\ndirect\n0.000000 0.000000 -0.096859 Li\n0.000000 0.000000 0.570446 Ga\n0.000000 0.000000 0.226333 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Au"
],
"chemical_system": "Au-Ga-Li",
"density": 7.716059587175812,
"density_atomic": 0.05094518181838628,
"volume": 58.88682487569983,
"volume_molar": 11.820824943697795,
"formula_full": "Li1 Ga1 Au1",
"formula_reduced": "LiGaAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1838479283333333,
"spacegroup": 99
},
{
"id": "jvasp-119935",
"created_at": "2022-09-04T14:38:49.081044Z",
"updated_at": "2022-09-04T14:38:49.081064Z",
"structure_string": "Ba1 Cd1 Br1\n1.0\n0.000000 3.973727 3.973727\n3.973727 -0.000000 3.973727\n3.973727 3.973727 0.000000\nBa Cd Br\n1 1 1\ndirect\n0.250001 0.250001 0.250001 Ba\n0.500001 0.500001 0.500001 Cd\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Br"
],
"chemical_system": "Ba-Br-Cd",
"density": 4.361818202619273,
"density_atomic": 0.023905463983455635,
"volume": 125.49432222174077,
"volume_molar": 25.191482433337296,
"formula_full": "Ba1 Cd1 Br1",
"formula_reduced": "BaCdBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-113446",
"created_at": "2022-09-04T14:38:49.082714Z",
"updated_at": "2022-09-04T14:38:49.082733Z",
"structure_string": "B2 O1\n1.0\n3.877193 0.000000 0.543590\n0.000000 2.730948 0.000000\n0.670640 0.000000 2.793477\nB O\n2 1\ndirect\n0.098707 0.000000 -0.015833 B\n-0.165370 0.000000 0.615842 B\n0.466662 0.000000 -0.200010 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 2.1856347913076353,
"density_atomic": 0.1049578194944078,
"volume": 28.582910872684824,
"volume_molar": 5.737677086861415,
"formula_full": "B2 O1",
"formula_reduced": "B2O",
"formula_anonymous": "AB2",
"energy_above_hull": 3.061349555555556,
"spacegroup": 65
},
{
"id": "jvasp-115744",
"created_at": "2022-09-04T14:38:49.088049Z",
"updated_at": "2022-09-04T14:38:49.088072Z",
"structure_string": "Si1 Ge1 C1\n1.0\n3.182190 -0.222104 0.000000\n-1.876976 6.148178 0.000000\n0.000000 0.000000 2.513888\nSi Ge C\n1 1 1\ndirect\n0.970914 0.727854 0.000000 Si\n-0.164765 0.234902 0.000000 Ge\n0.193850 0.037245 0.000000 C\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Si",
"Ge",
"C"
],
"chemical_system": "C-Ge-Si",
"density": 3.889089916552463,
"density_atomic": 0.062324205305489974,
"volume": 48.13539114209512,
"volume_molar": 9.6626033665118,
"formula_full": "Si1 Ge1 C1",
"formula_reduced": "SiGeC",
"formula_anonymous": "ABC",
"energy_above_hull": 3.269424849999999,
"spacegroup": 6
},
{
"id": "jvasp-120744",
"created_at": "2022-09-04T14:38:49.088078Z",
"updated_at": "2022-09-04T14:38:49.088088Z",
"structure_string": "Li4 Cr3 Co1 P4 O16\n1.0\n6.150023 -0.000000 0.000000\n0.000000 4.716065 0.035811\n-0.000000 0.004678 10.066731\nLi Cr Co P O\n4 3 1 4 16\ndirect\n0.255755 0.991452 0.004039 Li\n0.744245 0.991452 0.004039 Li\n0.741248 0.501505 0.493146 Li\n0.258751 0.501505 0.493146 Li\n0.500000 0.538429 0.782914 Cr\n-0.000000 0.457464 0.218891 Cr\n-0.000000 0.048601 0.717089 Cr\n0.500000 0.967629 0.278447 Co\n0.500000 0.084740 0.595559 P\n0.500000 0.418753 0.092437 P\n-0.000000 0.580165 0.906095 P\n-0.000000 0.916444 0.405783 P\n0.700615 0.219175 0.668089 O\n-0.000000 0.244687 0.398665 O\n-0.000000 0.253251 0.899687 O\n0.297133 0.283311 0.161957 O\n0.702866 0.283311 0.161957 O\n0.500000 0.294947 0.947836 O\n-0.000000 0.693534 0.051435 O\n0.201958 0.778323 0.338639 O\n0.201993 0.717735 0.837150 O\n0.500000 0.743892 0.090290 O\n0.500000 0.757213 0.602460 O\n0.798042 0.778323 0.338639 O\n0.299385 0.219175 0.668089 O\n-0.000000 0.809365 0.553359 O\n0.798006 0.717735 0.837150 O\n0.500000 0.207896 0.453004 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Co",
"P",
"O"
],
"chemical_system": "Co-Cr-Li-O-P",
"density": 3.540743701357682,
"density_atomic": 0.09589911028288808,
"volume": 291.9735117187654,
"volume_molar": 6.279662806292553,
"formula_full": "Li4 Cr3 Co1 P4 O16",
"formula_reduced": "Li4Cr3Co(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 3.1734332535714285,
"spacegroup": 6
}
]
}