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=585",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=583",
"results": [
{
"id": "jvasp-8555",
"created_at": "2022-09-04T14:36:50.820270Z",
"updated_at": "2022-09-04T14:36:50.820298Z",
"structure_string": "Na1 Cl1\n1.0\n3.458077 -0.000000 0.000000\n-0.000000 3.458077 -0.000000\n0.000000 -0.000000 3.458077\nNa Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Cl"
],
"chemical_system": "Cl-Na",
"density": 2.3467990620323067,
"density_atomic": 0.04836442374648027,
"volume": 41.352710216991895,
"volume_molar": 12.451592086710768,
"formula_full": "Na1 Cl1",
"formula_reduced": "NaCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.0746449999999999,
"spacegroup": 221
},
{
"id": "jvasp-85547",
"created_at": "2022-09-04T14:36:15.212749Z",
"updated_at": "2022-09-04T14:36:15.212791Z",
"structure_string": "Ca1 U1 O4\n1.0\n2.170763 5.709830 18.683684\n-1.031672 2.964282 6.732968\n-1.910962 -4.506654 -8.741142\nCa U O\n1 1 4\ndirect\n0.000000 0.499999 0.000000 Ca\n0.000000 0.000000 0.000000 U\n0.224216 0.215271 0.000000 O\n0.775784 0.784729 0.000001 O\n0.725495 0.460781 0.000000 O\n0.274505 0.539219 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"U",
"O"
],
"chemical_system": "Ca-O-U",
"density": 7.342528143016469,
"density_atomic": 0.07755128050218447,
"volume": 77.36816157189037,
"volume_molar": 7.765365988805779,
"formula_full": "Ca1 U1 O4",
"formula_reduced": "CaUO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.22301507,
"spacegroup": 166
},
{
"id": "jvasp-85546",
"created_at": "2022-09-04T14:36:08.300919Z",
"updated_at": "2022-09-04T14:36:08.300943Z",
"structure_string": "Li3 Ni3 O6\n1.0\n2.787670 1.609462 6.825048\n-2.787670 1.609462 6.825048\n0.000000 -3.218924 6.825048\nLi Ni O\n3 3 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.166667 0.166667 0.166667 Li\n0.833333 0.833333 0.833333 Li\n0.000000 0.000000 0.000000 Ni\n0.666667 0.666667 0.666667 Ni\n0.333333 0.333333 0.333333 Ni\n0.918892 0.918892 0.918892 O\n0.081109 0.081109 0.081109 O\n0.585559 0.585559 0.585559 O\n0.747776 0.747776 0.747776 O\n0.252224 0.252224 0.252224 O\n0.414442 0.414442 0.414442 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 2.647212634441067,
"density_atomic": 0.06531338565882797,
"volume": 183.72956598335583,
"volume_molar": 9.220377567712305,
"formula_full": "Li3 Ni3 O6",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4668248499999998,
"spacegroup": 191
},
{
"id": "jvasp-85544",
"created_at": "2022-09-04T14:36:02.972265Z",
"updated_at": "2022-09-04T14:36:02.972289Z",
"structure_string": "Pr3 Ga10 Ni1\n1.0\n4.297703 -0.000000 0.000000\n-0.000000 4.294864 0.000000\n0.000000 0.000000 15.283020\nPr Ga Ni\n3 10 1\ndirect\n0.500000 0.000000 0.500000 Pr\n0.000000 0.000000 0.248564 Pr\n0.000000 0.000000 0.751436 Pr\n0.500000 0.499999 0.183290 Ga\n0.500000 0.499999 0.816710 Ga\n0.500000 0.499999 0.342358 Ga\n0.500000 0.499999 0.657642 Ga\n0.000000 0.499999 0.419245 Ga\n0.000000 0.499999 0.580755 Ga\n0.000000 0.499999 0.084838 Ga\n0.000000 0.499999 0.915162 Ga\n0.500000 0.000000 0.084489 Ga\n0.500000 0.000000 0.915511 Ga\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pr",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Pr",
"density": 6.938053045712121,
"density_atomic": 0.04962871592355899,
"volume": 282.09474574283985,
"volume_molar": 12.134387617998517,
"formula_full": "Pr3 Ga10 Ni1",
"formula_reduced": "Pr3Ga10Ni",
"formula_anonymous": "AB3C10",
"energy_above_hull": 0.1115796571428573,
"spacegroup": 47
},
{
"id": "jvasp-85542",
"created_at": "2022-09-04T14:35:54.741620Z",
"updated_at": "2022-09-04T14:35:54.741646Z",
"structure_string": "Cu1 H4 O2 F2\n1.0\n3.111306 3.680802 -1.088031\n-3.111306 3.680802 1.088031\n0.037275 0.000000 3.332279\nCu H O F\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.445642 0.229819 0.208343 H\n0.770181 0.554358 0.208343 H\n0.554359 0.770180 0.791658 H\n0.229819 0.445641 0.791658 H\n0.260553 0.260553 -0.000000 O\n0.739446 0.739446 -0.000000 O\n0.237445 0.762554 0.526630 F\n0.762555 0.237444 0.473371 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cu",
"H",
"O",
"F"
],
"chemical_system": "Cu-F-H-O",
"density": 2.9814763961024258,
"density_atomic": 0.1174601153216821,
"volume": 76.62175348076369,
"volume_molar": 5.1269664971019875,
"formula_full": "Cu1 H4 O2 F2",
"formula_reduced": "CuH4(OF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.7552031127777776,
"spacegroup": 12
},
{
"id": "jvasp-8554",
"created_at": "2022-09-04T14:36:50.617014Z",
"updated_at": "2022-09-04T14:36:50.617032Z",
"structure_string": "In2 Cu2 Se4\n1.0\n5.345814 0.000000 -2.381762\n-1.061165 5.239433 -2.381762\n0.003910 0.004781 7.198939\nIn Cu Se\n2 2 4\ndirect\n0.500000 0.500000 0.000000 In\n0.750000 0.250000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.344428 0.375000 0.250000 Se\n0.905572 0.875000 0.250000 Se\n0.125000 0.655572 0.750000 Se\n0.625000 0.094427 0.750000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"Cu",
"Se"
],
"chemical_system": "Cu-In-Se",
"density": 5.5354956499825745,
"density_atomic": 0.03965164443396986,
"volume": 201.7570800454959,
"volume_molar": 15.187619192007045,
"formula_full": "In2 Cu2 Se4",
"formula_reduced": "InCuSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3592842883333332,
"spacegroup": 122
},
{
"id": "jvasp-85534",
"created_at": "2022-09-04T14:35:46.694978Z",
"updated_at": "2022-09-04T14:35:46.695005Z",
"structure_string": "Pb4 Se1 Br6\n1.0\n4.256782 0.000057 1.001664\n1.175193 8.154535 4.553146\n-0.068603 -0.168781 9.838541\nPb Se Br\n4 1 6\ndirect\n0.004763 -0.005843 -0.008378 Pb\n0.257282 0.499335 0.981038 Pb\n0.495642 0.533861 0.470032 Pb\n0.765441 0.010708 0.453529 Pb\n0.968955 0.747067 0.310186 Se\n0.359720 0.119184 0.156534 Br\n0.632567 0.819819 0.910330 Br\n0.120845 0.176384 0.576974 Br\n0.888207 0.401980 0.816746 Br\n0.301946 0.762737 0.628534 Br\n0.682066 0.401050 0.229834 Br\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Pb",
"Se",
"Br"
],
"chemical_system": "Br-Pb-Se",
"density": 6.67386188053753,
"density_atomic": 0.03187034253452526,
"volume": 345.14847112432693,
"volume_molar": 18.895751601904475,
"formula_full": "Pb4 Se1 Br6",
"formula_reduced": "Pb4SeBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.1276228433333333,
"spacegroup": 8
},
{
"id": "jvasp-85533",
"created_at": "2022-09-04T14:35:41.379957Z",
"updated_at": "2022-09-04T14:35:41.379980Z",
"structure_string": "Ba6 Pb10\n1.0\n7.273578 0.013468 0.000000\n-1.483169 7.120768 -0.000000\n-0.000000 0.000000 11.458990\nBa Pb\n6 10\ndirect\n0.865035 0.865035 0.750000 Ba\n0.706882 0.293118 0.500000 Ba\n0.293118 0.706882 0.500000 Ba\n0.293118 0.706882 0.000000 Ba\n0.134966 0.134966 0.250000 Ba\n0.706882 0.293118 0.000000 Ba\n0.416335 0.013059 0.750000 Pb\n0.986941 0.583666 0.250000 Pb\n0.196630 0.196630 0.553978 Pb\n0.196630 0.196630 0.946022 Pb\n0.536790 0.536790 0.250000 Pb\n0.803371 0.803371 0.446022 Pb\n0.463210 0.463211 0.750000 Pb\n0.583665 0.986942 0.250000 Pb\n0.013059 0.416335 0.750000 Pb\n0.803371 0.803371 0.053978 Pb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ba",
"Pb"
],
"chemical_system": "Ba-Pb",
"density": 8.09940686613057,
"density_atomic": 0.026948291855876355,
"volume": 593.7296540192782,
"volume_molar": 22.347022186813703,
"formula_full": "Ba6 Pb10",
"formula_reduced": "Ba3Pb5",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.2457789549999999,
"spacegroup": 63
},
{
"id": "jvasp-85532",
"created_at": "2022-09-04T14:36:17.402604Z",
"updated_at": "2022-09-04T14:36:17.402632Z",
"structure_string": "Fe3 Pb4 Cl1 O8\n1.0\n3.925689 0.000022 -0.000217\n0.000029 3.925761 0.000080\n0.000784 -0.000849 15.108706\nFe Pb Cl O\n3 4 1 8\ndirect\n0.500062 0.500013 0.871737 Fe\n0.499969 0.499933 0.366124 Fe\n0.499983 0.500032 0.618931 Fe\n0.000283 0.999704 0.736160 Pb\n0.999942 0.999949 0.242723 Pb\n0.000165 0.999638 0.501675 Pb\n0.000043 0.000060 -0.004852 Pb\n0.499973 0.500030 0.118989 Cl\n0.499867 0.000080 0.618931 O\n0.499908 0.500161 0.747057 O\n0.000036 0.500065 0.900228 O\n0.499902 0.500136 0.490807 O\n0.499936 0.999960 0.337667 O\n-0.000049 0.500204 0.618931 O\n0.999952 0.499981 0.337666 O\n0.500025 0.000048 0.900228 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Fe",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-Fe-O-Pb",
"density": 8.271016583192743,
"density_atomic": 0.06871522347900048,
"volume": 232.84505514108724,
"volume_molar": 8.763910608309931,
"formula_full": "Fe3 Pb4 Cl1 O8",
"formula_reduced": "Fe3Pb4ClO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.3105607404687496,
"spacegroup": 123
},
{
"id": "jvasp-85528",
"created_at": "2022-09-04T14:36:12.693639Z",
"updated_at": "2022-09-04T14:36:12.693659Z",
"structure_string": "Li2 Eu1 Ge1 S4\n1.0\n4.954417 -0.431748 -2.519661\n-3.387117 5.299358 -1.399216\n0.121480 -0.189843 6.438596\nLi Eu Ge S\n2 1 1 4\ndirect\n0.499991 0.201699 0.701681 Li\n0.499994 0.701696 0.201688 Li\n0.000031 -0.059087 -0.059089 Eu\n0.000007 0.477062 0.477056 Ge\n-0.000016 0.654126 0.179911 S\n-0.000022 0.179917 0.654126 S\n0.464100 0.904335 0.904349 S\n0.535917 0.440255 0.440279 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Eu",
"Ge",
"S"
],
"chemical_system": "Eu-Ge-Li-S",
"density": 3.8449063010150573,
"density_atomic": 0.050508127067180726,
"volume": 158.39035150440682,
"volume_molar": 11.923112397317695,
"formula_full": "Li2 Eu1 Ge1 S4",
"formula_reduced": "Li2EuGeS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.48253449375,
"spacegroup": 42
},
{
"id": "jvasp-85527",
"created_at": "2022-09-04T14:36:05.808767Z",
"updated_at": "2022-09-04T14:36:05.808792Z",
"structure_string": "Eu4 Ge2 Se8\n1.0\n6.857868 0.005824 -2.141365\n-0.006084 6.968685 0.001139\n-0.162874 -0.001790 7.723105\nEu Ge Se\n4 2 8\ndirect\n0.315692 0.727043 0.950065 Eu\n0.265419 0.714679 0.432733 Eu\n0.684286 0.227105 0.049937 Eu\n0.734564 0.214693 0.567262 Eu\n0.194369 0.180756 0.237381 Ge\n0.805627 0.680753 0.762587 Ge\n0.445702 0.436637 0.744338 Se\n-0.030547 0.392363 0.373042 Se\n0.554266 0.936678 0.255644 Se\n0.015494 0.325085 0.914520 Se\n0.462178 0.444704 0.260016 Se\n0.030577 0.892383 0.626980 Se\n-0.015484 0.825067 0.085489 Se\n0.537865 -0.055342 0.740011 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Eu",
"Ge",
"Se"
],
"chemical_system": "Eu-Ge-Se",
"density": 6.271599076490118,
"density_atomic": 0.03818256968344246,
"volume": 366.65945000739373,
"volume_molar": 15.771962992347916,
"formula_full": "Eu4 Ge2 Se8",
"formula_reduced": "Eu2GeSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.340268488095238,
"spacegroup": 4
},
{
"id": "jvasp-85525",
"created_at": "2022-09-04T14:36:01.058579Z",
"updated_at": "2022-09-04T14:36:01.058603Z",
"structure_string": "Ge8 Te8\n1.0\n4.072399 0.000000 0.000000\n0.000000 13.388502 0.000000\n0.000000 0.000000 10.785060\nGe Te\n8 8\ndirect\n0.500141 0.743177 0.894222 Ge\n0.499860 0.256823 0.105778 Ge\n0.000141 0.743177 0.105778 Ge\n0.000141 0.756823 0.605778 Ge\n-0.000141 0.256823 0.894222 Ge\n0.499860 0.243177 0.605778 Ge\n0.500141 0.756823 0.394222 Ge\n-0.000141 0.243177 0.394222 Ge\n0.499881 0.375277 0.327429 Te\n0.000120 0.624722 0.327429 Te\n0.500120 0.875277 0.172571 Te\n-0.000120 0.124723 0.172571 Te\n0.500120 0.624722 0.672571 Te\n-0.000120 0.375277 0.672571 Te\n0.000120 0.875277 0.827429 Te\n0.499881 0.124723 0.827429 Te\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ge",
"Te"
],
"chemical_system": "Ge-Te",
"density": 4.523608855594996,
"density_atomic": 0.027209158291040515,
"volume": 588.0373008550033,
"volume_molar": 22.13277123674561,
"formula_full": "Ge8 Te8",
"formula_reduced": "GeTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.5989818583333335,
"spacegroup": 72
}
]
}