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=572",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=570",
"results": [
{
"id": "jvasp-89895",
"created_at": "2022-09-04T14:35:59.586806Z",
"updated_at": "2022-09-04T14:35:59.586839Z",
"structure_string": "Nd2 Fe2 Se2 O3\n1.0\n4.018824 -0.000000 0.000000\n-0.000000 4.018824 0.000000\n-2.009413 -2.009413 9.352161\nNd Fe Se O\n2 2 2 3\ndirect\n0.314445 0.314445 0.628890 Nd\n0.685555 0.685555 0.371110 Nd\n-0.000000 0.499999 -0.000000 Fe\n0.499999 -0.000000 -0.000000 Fe\n0.902110 0.902110 0.804220 Se\n0.097890 0.097890 0.195780 Se\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.499999 0.499999 -0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Nd",
"Fe",
"Se",
"O"
],
"chemical_system": "Fe-Nd-O-Se",
"density": 6.663123200460125,
"density_atomic": 0.05958439862026506,
"volume": 151.0462505018728,
"volume_molar": 10.106908686583317,
"formula_full": "Nd2 Fe2 Se2 O3",
"formula_reduced": "Nd2Fe2Se2O3",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 2.425076803703704,
"spacegroup": 139
},
{
"id": "jvasp-52785",
"created_at": "2022-09-04T14:35:59.591207Z",
"updated_at": "2022-09-04T14:35:59.591235Z",
"structure_string": "Mn2 Sn2 O6\n1.0\n4.773086 0.004984 3.081063\n1.680897 4.467321 3.081063\n0.007193 0.004984 5.681130\nMn Sn O\n2 2 6\ndirect\n0.365750 0.365749 0.365749 Mn\n0.865751 0.865748 0.865749 Mn\n0.146967 0.146966 0.146966 Sn\n0.646968 0.646965 0.646966 Sn\n0.036590 0.763590 0.437104 O\n0.437104 0.036588 0.763591 O\n0.763592 0.437103 0.036589 O\n0.263591 0.536588 0.937104 O\n0.536591 0.937103 0.263590 O\n0.937105 0.263589 0.536589 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"O"
],
"chemical_system": "Mn-O-Sn",
"density": 6.086313185277771,
"density_atomic": 0.08268273329839869,
"volume": 120.94423588913538,
"volume_molar": 7.283432126350171,
"formula_full": "Mn2 Sn2 O6",
"formula_reduced": "MnSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.208595888275862,
"spacegroup": 161
},
{
"id": "jvasp-38515",
"created_at": "2022-09-04T14:35:59.594191Z",
"updated_at": "2022-09-04T14:35:59.594216Z",
"structure_string": "K1 Ag1 O3\n1.0\n4.128437 -0.000000 0.000000\n0.000000 4.128437 0.000000\n-0.000000 0.000000 4.128437\nK Ag O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Ag",
"O"
],
"chemical_system": "Ag-K-O",
"density": 4.600956194051259,
"density_atomic": 0.07105800650257639,
"volume": 70.36504746046755,
"volume_molar": 8.474964407820323,
"formula_full": "K1 Ag1 O3",
"formula_reduced": "KAgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2273911519999998,
"spacegroup": 221
},
{
"id": "jvasp-69912",
"created_at": "2022-09-04T14:35:59.594749Z",
"updated_at": "2022-09-04T14:35:59.594773Z",
"structure_string": "Mn1 Be2 Re1\n1.0\n-1.962975 1.962975 2.775203\n1.962975 -1.962975 2.775203\n1.962975 1.962975 -2.775203\nMn Be Re\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Re"
],
"chemical_system": "Be-Mn-Re",
"density": 10.061171480470296,
"density_atomic": 0.09351380029087965,
"volume": 42.7744352978682,
"volume_molar": 6.439841757331871,
"formula_full": "Mn1 Be2 Re1",
"formula_reduced": "MnBe2Re",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6794743603448263,
"spacegroup": 216
},
{
"id": "jvasp-96874",
"created_at": "2022-09-04T14:35:59.599837Z",
"updated_at": "2022-09-04T14:35:59.599867Z",
"structure_string": "Cu2 H24 N4 Cl8 O4\n1.0\n7.478141 0.000000 0.000000\n-0.000000 7.478141 0.000000\n0.000000 0.000000 7.861199\nCu H N Cl O\n2 24 4 8 4\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.075750 0.415290 0.174041 H\n0.924250 0.584710 0.174041 H\n0.575750 0.084710 0.674041 H\n0.424250 0.915290 0.674041 H\n0.924250 0.584710 0.825959 H\n0.424250 0.915290 0.325959 H\n0.575750 0.084710 0.325959 H\n0.415290 0.075750 0.174041 H\n0.584710 0.924250 0.174041 H\n0.084710 0.575750 0.674041 H\n0.915290 0.424250 0.674041 H\n0.075750 0.415290 0.825959 H\n0.415290 0.075750 0.825959 H\n0.915290 0.424250 0.325959 H\n0.084710 0.575750 0.325959 H\n0.077199 0.077199 0.322294 H\n0.922801 0.922801 0.322294 H\n0.422801 0.577199 0.822295 H\n0.577199 0.422801 0.822295 H\n0.922801 0.922801 0.677706 H\n0.077199 0.077199 0.677706 H\n0.577199 0.422801 0.177706 H\n0.422801 0.577199 0.177706 H\n0.584710 0.924250 0.825959 H\n0.500000 0.000000 0.250000 N\n0.000000 0.500000 0.750000 N\n0.500000 0.000000 0.750000 N\n0.000000 0.500000 0.250000 N\n0.280615 0.719384 0.500000 Cl\n0.719384 0.280615 0.500000 Cl\n0.219384 0.219384 0.000000 Cl\n0.780615 0.780615 0.000000 Cl\n0.279832 0.720168 0.000000 Cl\n0.720168 0.279832 0.000000 Cl\n0.220168 0.220168 0.500000 Cl\n0.779832 0.779832 0.500000 Cl\n0.500000 0.500000 0.748302 O\n0.500000 0.500000 0.251698 O\n0.000000 0.000000 0.751698 O\n0.000000 0.000000 0.248302 O\n",
"nsites": 42,
"nelements": 5,
"elements": [
"Cu",
"H",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-N-O",
"density": 2.096099832787508,
"density_atomic": 0.0955373522979661,
"volume": 439.6186307216109,
"volume_molar": 6.303441130771431,
"formula_full": "Cu2 H24 N4 Cl8 O4",
"formula_reduced": "CuH12N2(Cl2O)2",
"formula_anonymous": "AB2C2D4E12",
"energy_above_hull": 2.7422247723809523,
"spacegroup": 136
},
{
"id": "jvasp-71564",
"created_at": "2022-09-04T14:35:59.605288Z",
"updated_at": "2022-09-04T14:35:59.605304Z",
"structure_string": "Na2 Be1 Ge1\n1.0\n3.283024 0.000000 -0.000000\n0.000000 3.283024 0.000000\n0.000000 0.000000 8.216092\nNa Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.944282 Na\n0.499999 0.499999 0.304353 Na\n0.000000 0.000000 0.577471 Be\n0.499999 0.499999 0.673892 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Na",
"density": 2.393284413948713,
"density_atomic": 0.04516963513852665,
"volume": 88.5550655375622,
"volume_molar": 13.332276741955617,
"formula_full": "Na2 Be1 Ge1",
"formula_reduced": "Na2BeGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3673475125,
"spacegroup": 99
},
{
"id": "jvasp-92191",
"created_at": "2022-09-04T14:35:59.608615Z",
"updated_at": "2022-09-04T14:35:59.608649Z",
"structure_string": "Hf1 Mg3 O4\n1.0\n4.396949 -0.000000 0.000000\n0.000000 4.396949 0.000000\n0.000000 -0.000000 4.396949\nHf Mg O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"O"
],
"chemical_system": "Hf-Mg-O",
"density": 6.161125874142181,
"density_atomic": 0.09410998455176799,
"volume": 85.00692076513266,
"volume_molar": 6.399045530272448,
"formula_full": "Hf1 Mg3 O4",
"formula_reduced": "HfMg3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.51131676875,
"spacegroup": 221
},
{
"id": "jvasp-74117",
"created_at": "2022-09-04T14:35:59.609252Z",
"updated_at": "2022-09-04T14:35:59.609270Z",
"structure_string": "K1 Be1 Ni2\n1.0\n2.934303 0.000000 0.000000\n-0.000000 2.934303 0.000000\n-0.000000 0.000000 7.257797\nK Be Ni\n1 1 2\ndirect\n0.500000 0.500000 0.750529 K\n0.000000 0.000000 0.380282 Be\n0.000000 0.000000 0.085455 Ni\n0.500000 0.500000 0.283733 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Ni"
],
"chemical_system": "Be-K-Ni",
"density": 4.397696267676664,
"density_atomic": 0.06400962150623757,
"volume": 62.49060541016026,
"volume_molar": 9.408180548940067,
"formula_full": "K1 Be1 Ni2",
"formula_reduced": "KBeNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.824779725,
"spacegroup": 99
},
{
"id": "jvasp-71237",
"created_at": "2022-09-04T14:35:59.612765Z",
"updated_at": "2022-09-04T14:35:59.612799Z",
"structure_string": "Be1 P1 Pb2\n1.0\n3.266196 0.000000 0.000000\n0.000000 3.266196 0.000000\n-0.000000 0.000000 8.595787\nBe P Pb\n1 1 2\ndirect\n0.000000 0.000000 0.625776 Be\n0.500001 0.500001 0.624766 P\n0.000000 0.000000 0.958051 Pb\n0.500001 0.500001 0.291406 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"P",
"Pb"
],
"chemical_system": "Be-P-Pb",
"density": 8.228181356257739,
"density_atomic": 0.04362042180012124,
"volume": 91.7001678326018,
"volume_molar": 13.805782960088806,
"formula_full": "Be1 P1 Pb2",
"formula_reduced": "BePPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.38289331,
"spacegroup": 99
},
{
"id": "jvasp-97507",
"created_at": "2022-09-04T14:35:59.614177Z",
"updated_at": "2022-09-04T14:35:59.614201Z",
"structure_string": "H12 N4 O16\n1.0\n5.024245 0.000000 0.000000\n0.000000 9.219114 0.000000\n0.000000 0.000000 6.121268\nH N O\n12 4 16\ndirect\n0.704600 0.377220 0.624651 H\n0.204601 0.622780 0.375349 H\n0.204601 0.877220 0.875349 H\n0.704600 0.122780 0.124651 H\n0.596081 0.327620 0.118175 H\n0.398951 0.229808 -0.023226 H\n0.096082 0.672379 -0.118175 H\n0.898950 0.770191 0.023226 H\n0.096082 0.827620 0.381825 H\n0.898950 0.729808 0.523226 H\n0.596081 0.172379 0.618175 H\n0.398951 0.270192 0.476774 H\n0.537436 0.910069 0.708186 N\n0.037437 0.089931 0.291814 N\n0.037437 0.410069 0.791814 N\n0.537436 0.589930 0.208186 N\n0.019056 0.771017 0.896509 O\n0.519056 0.228982 0.103492 O\n0.024975 0.219170 0.344238 O\n0.524974 0.780830 0.655762 O\n0.524974 0.719169 0.155762 O\n0.024975 0.280830 0.844238 O\n0.213896 0.003970 0.351988 O\n0.713896 -0.003970 0.648012 O\n0.213896 0.496029 0.851988 O\n0.850658 0.034886 0.157393 O\n0.350658 0.965114 0.842607 O\n0.350658 0.534886 0.342607 O\n0.850658 0.465114 0.657393 O\n0.019056 0.728982 0.396509 O\n0.713896 0.503970 0.148012 O\n0.519056 0.271017 0.603492 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"H",
"N",
"O"
],
"chemical_system": "H-N-O",
"density": 1.8982065295928832,
"density_atomic": 0.11286222034236856,
"volume": 283.5315476066988,
"volume_molar": 5.335834029963066,
"formula_full": "H12 N4 O16",
"formula_reduced": "H3NO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.19556340625,
"spacegroup": 33
},
{
"id": "jvasp-21527",
"created_at": "2022-09-04T14:35:59.617067Z",
"updated_at": "2022-09-04T14:35:59.617103Z",
"structure_string": "Tl8 As8 S16\n1.0\n0.000000 6.151125 -0.048607\n11.504529 0.000000 0.000000\n0.000000 -3.304576 -12.008150\nTl As S\n8 8 16\ndirect\n0.838008 0.316165 0.942682 Tl\n0.161990 0.816165 0.557318 Tl\n0.161991 0.683835 0.057318 Tl\n0.838008 0.183835 0.442682 Tl\n0.271927 0.060302 0.898941 Tl\n0.728071 0.560302 0.601059 Tl\n0.728071 0.939698 0.101059 Tl\n0.271928 0.439698 0.398941 Tl\n0.226315 0.165789 0.192843 As\n0.773684 0.665789 0.307157 As\n0.455134 0.589291 0.861548 As\n0.773684 0.834211 0.807157 As\n0.544865 0.410710 0.138453 As\n0.455134 0.910710 0.361548 As\n0.226315 0.334211 0.692843 As\n0.544865 0.089291 0.638453 As\n0.192038 0.061335 0.649651 S\n0.807960 0.561335 0.850349 S\n0.807961 0.938665 0.350349 S\n0.715332 0.681441 0.125022 S\n0.715332 0.818559 0.625022 S\n0.284667 0.318559 0.874979 S\n0.586287 0.290934 0.668109 S\n0.413711 0.709066 0.331891 S\n0.737647 0.039444 0.822551 S\n0.262352 0.539444 0.677449 S\n0.262352 0.960557 0.177449 S\n0.737647 0.460556 0.322551 S\n0.413711 0.790934 0.831891 S\n0.192038 0.438665 0.149651 S\n0.586288 0.209066 0.168109 S\n0.284667 0.181441 0.374979 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Tl",
"As",
"S"
],
"chemical_system": "As-S-Tl",
"density": 5.3572339134701465,
"density_atomic": 0.037575699758308725,
"volume": 851.6142135962265,
"volume_molar": 16.026689585916195,
"formula_full": "Tl8 As8 S16",
"formula_reduced": "TlAsS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2859010875,
"spacegroup": 14
},
{
"id": "jvasp-107770",
"created_at": "2022-09-04T14:35:59.618617Z",
"updated_at": "2022-09-04T14:35:59.618635Z",
"structure_string": "Cd4 Te3 Se1\n1.0\n4.546712 0.004312 14.529158\n2.223859 3.965736 14.529158\n0.007354 0.004312 15.223961\nCd Te Se\n4 3 1\ndirect\n0.003597 0.003597 0.003597 Cd\n0.746299 0.746300 0.746300 Cd\n0.498885 0.498886 0.498886 Cd\n0.251317 0.251317 0.251318 Cd\n0.809878 0.809878 0.809879 Te\n0.562218 0.562218 0.562219 Te\n0.314610 0.314610 0.314611 Te\n0.063193 0.063193 0.063193 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Te",
"Se"
],
"chemical_system": "Cd-Se-Te",
"density": 5.527687121329948,
"density_atomic": 0.02921954253735287,
"volume": 273.78936510635583,
"volume_molar": 20.60997619076884,
"formula_full": "Cd4 Te3 Se1",
"formula_reduced": "Cd4Te3Se",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 160
}
]
}