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=330",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=328",
"results": [
{
"id": "jvasp-69977",
"created_at": "2022-09-04T14:35:51.561302Z",
"updated_at": "2022-09-04T14:35:51.561336Z",
"structure_string": "Be2 V1 Ni1\n1.0\n-1.931063 1.931063 2.733015\n1.931063 -1.931063 2.733015\n1.931063 1.931063 -2.733015\nBe V Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 V\n0.499999 0.499999 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"V",
"Ni"
],
"chemical_system": "Be-Ni-V",
"density": 5.200038292728451,
"density_atomic": 0.09812170800866514,
"volume": 40.765698856839705,
"volume_molar": 6.137419417391495,
"formula_full": "Be2 V1 Ni1",
"formula_reduced": "Be2VNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2323597,
"spacegroup": 216
},
{
"id": "jvasp-98782",
"created_at": "2022-09-04T14:35:51.563034Z",
"updated_at": "2022-09-04T14:35:51.563054Z",
"structure_string": "Ba6 Nb2 Ir1 Cl2 O12\n1.0\n5.983886 -0.000000 -0.000000\n-2.991943 5.182197 0.000000\n-0.000000 0.000000 15.015355\nBa Nb Ir Cl O\n6 2 1 2 12\ndirect\n0.333334 0.666667 0.366378 Ba\n0.333334 0.666667 0.790653 Ba\n0.666668 0.333333 0.633622 Ba\n0.666668 0.333333 0.928517 Ba\n0.333334 0.666667 0.071483 Ba\n0.666668 0.333333 0.209347 Ba\n0.000000 0.000000 0.813913 Nb\n0.000000 0.000000 0.186087 Nb\n0.000000 0.000000 0.000000 Ir\n0.666668 0.333333 0.419673 Cl\n0.333334 0.666667 0.580328 Cl\n0.689207 0.844603 0.917129 O\n0.844604 0.155397 0.082872 O\n0.310795 0.155397 0.082872 O\n0.163971 0.836030 0.242406 O\n0.844604 0.689206 0.082872 O\n0.155397 0.310794 0.917129 O\n0.836030 0.672059 0.757594 O\n0.163971 0.327942 0.242406 O\n0.327942 0.163971 0.757594 O\n0.672060 0.836030 0.242406 O\n0.836030 0.163971 0.757594 O\n0.155398 0.844603 0.917129 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Ba",
"Nb",
"Ir",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-Ir-Nb-O",
"density": 5.224219834136885,
"density_atomic": 0.04939636623122574,
"volume": 465.6212947393007,
"volume_molar": 12.19146512075442,
"formula_full": "Ba6 Nb2 Ir1 Cl2 O12",
"formula_reduced": "Ba6Nb2Ir(ClO6)2",
"formula_anonymous": "AB2C2D6E12",
"energy_above_hull": 2.2763185154347827,
"spacegroup": 164
},
{
"id": "jvasp-87180",
"created_at": "2022-09-04T14:35:51.564642Z",
"updated_at": "2022-09-04T14:35:51.564669Z",
"structure_string": "Tb4 Sb4 Rh4\n1.0\n4.578438 -0.000000 0.000000\n0.000000 7.177275 0.000000\n0.000000 0.000000 7.846304\nTb Sb Rh\n4 4 4\ndirect\n0.250000 0.509510 0.799412 Tb\n0.750000 0.490489 0.200588 Tb\n0.250000 0.009510 0.700588 Tb\n0.750000 0.990489 0.299412 Tb\n0.250000 0.192959 0.091116 Sb\n0.750000 0.307041 0.591116 Sb\n0.250000 0.692958 0.408883 Sb\n0.750000 0.807041 0.908883 Sb\n0.750000 0.199321 0.918360 Rh\n0.250000 0.300679 0.418360 Rh\n0.750000 0.699320 0.581639 Rh\n0.250000 0.800679 0.081639 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Sb",
"Rh"
],
"chemical_system": "Rh-Sb-Tb",
"density": 9.881782100766738,
"density_atomic": 0.04654137302104391,
"volume": 257.83510930316004,
"volume_molar": 12.93932767578013,
"formula_full": "Tb4 Sb4 Rh4",
"formula_reduced": "TbSbRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4271691666666666,
"spacegroup": 62
},
{
"id": "jvasp-64606",
"created_at": "2022-09-04T14:35:51.565477Z",
"updated_at": "2022-09-04T14:35:51.565503Z",
"structure_string": "Ba4 Nb1 In1\n1.0\n0.000000 4.972326 4.972326\n4.972326 0.000000 4.972326\n4.972326 4.972326 -0.000000\nBa Nb In\n4 1 1\ndirect\n0.125303 0.624899 0.624899 Ba\n0.624899 0.624899 0.624899 Ba\n0.624899 0.125303 0.624899 Ba\n0.624899 0.624899 0.125303 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"In"
],
"chemical_system": "Ba-In-Nb",
"density": 5.112752549649116,
"density_atomic": 0.024402957930816226,
"volume": 245.87183311999888,
"volume_molar": 24.67791313279772,
"formula_full": "Ba4 Nb1 In1",
"formula_reduced": "Ba4NbIn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8785555416666665,
"spacegroup": 216
},
{
"id": "jvasp-74431",
"created_at": "2022-09-04T14:35:51.570602Z",
"updated_at": "2022-09-04T14:35:51.570629Z",
"structure_string": "Be2 Hg1 Ir1\n1.0\n-1.746145 1.746145 4.296911\n1.746145 -1.746145 4.296911\n1.746145 1.746145 -4.296911\nBe Hg Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 Hg\n0.750001 0.250000 0.500001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Ir"
],
"chemical_system": "Be-Hg-Ir",
"density": 13.017744090829401,
"density_atomic": 0.0763278504897444,
"volume": 52.40551088933717,
"volume_molar": 7.88983407938253,
"formula_full": "Be2 Hg1 Ir1",
"formula_reduced": "Be2HgIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.700999475,
"spacegroup": 119
},
{
"id": "jvasp-97465",
"created_at": "2022-09-04T14:35:51.571330Z",
"updated_at": "2022-09-04T14:35:51.571352Z",
"structure_string": "Hg8 C4 N8 Cl8\n1.0\n7.820753 -0.026848 0.000000\n-2.299422 7.976796 0.000000\n0.000000 0.000000 9.036940\nHg C N Cl\n8 4 8 8\ndirect\n0.500000 0.500000 0.500000 Hg\n0.769011 0.891842 0.180223 Hg\n0.230989 0.108158 0.819777 Hg\n0.000000 0.500000 0.000000 Hg\n0.269011 0.891842 0.319777 Hg\n0.730989 0.108158 0.680223 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.500000 0.500000 Hg\n0.931383 0.137462 0.408862 C\n0.068617 0.862538 0.591138 C\n0.431383 0.137462 0.091138 C\n0.568617 0.862538 0.908862 C\n0.401960 0.233414 0.993443 N\n0.098040 0.766586 0.493443 N\n0.465063 0.038526 0.176844 N\n0.534937 0.961475 0.823156 N\n0.965063 0.038526 0.323156 N\n0.034937 0.961475 0.676844 N\n0.901959 0.233414 0.506557 N\n0.598040 0.766586 0.006557 N\n0.920217 0.196744 0.981141 Cl\n0.748152 0.511763 0.247826 Cl\n0.079783 0.803256 0.018859 Cl\n0.579783 0.803256 0.481141 Cl\n0.248152 0.511763 0.252174 Cl\n0.420217 0.196744 0.518859 Cl\n0.251848 0.488238 0.752174 Cl\n0.751848 0.488238 0.747826 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Hg",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-Hg-N",
"density": 6.039541367937392,
"density_atomic": 0.04971524244355202,
"volume": 563.2075521263308,
"volume_molar": 12.113268414285006,
"formula_full": "Hg8 C4 N8 Cl8",
"formula_reduced": "Hg2C(NCl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.1549691192857137,
"spacegroup": 14
},
{
"id": "jvasp-94298",
"created_at": "2022-09-04T14:35:51.571569Z",
"updated_at": "2022-09-04T14:35:51.571605Z",
"structure_string": "Tb2 Co4\n1.0\n-3.545167 -3.545167 -0.000000\n-3.545167 -0.000000 -3.545167\n0.000000 -3.545167 -3.545167\nTb Co\n2 4\ndirect\n0.750001 0.750001 0.750001 Tb\n0.000000 0.000000 0.000000 Tb\n0.875001 0.375000 0.375000 Co\n0.375000 0.875001 0.375000 Co\n0.375000 0.375000 0.875001 Co\n0.375000 0.375000 0.375000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tb",
"Co"
],
"chemical_system": "Co-Tb",
"density": 10.315543840403214,
"density_atomic": 0.06733039473395454,
"volume": 89.11280000225835,
"volume_molar": 8.9441637521888,
"formula_full": "Tb2 Co4",
"formula_reduced": "TbCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2894667333333336,
"spacegroup": 227
},
{
"id": "jvasp-66038",
"created_at": "2022-09-04T14:35:51.574840Z",
"updated_at": "2022-09-04T14:35:51.574877Z",
"structure_string": "Ba4 Ta1 Rh1\n1.0\n0.000000 4.763603 4.763603\n4.763603 -0.000000 4.763603\n4.763603 4.763603 -0.000000\nBa Ta Rh\n4 1 1\ndirect\n0.126099 0.624633 0.624633 Ba\n0.624633 0.624633 0.624633 Ba\n0.624633 0.126099 0.624633 Ba\n0.624633 0.624633 0.126099 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Rh"
],
"chemical_system": "Ba-Rh-Ta",
"density": 6.399433820096007,
"density_atomic": 0.027753296435012884,
"volume": 216.19053484509848,
"volume_molar": 21.698830530281132,
"formula_full": "Ba4 Ta1 Rh1",
"formula_reduced": "Ba4TaRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.819239346666666,
"spacegroup": 216
},
{
"id": "jvasp-42740",
"created_at": "2022-09-04T14:35:51.576080Z",
"updated_at": "2022-09-04T14:35:51.576088Z",
"structure_string": "Li6 Cr2 O8\n1.0\n4.394782 0.609468 0.004276\n-0.610426 4.394600 0.004062\n-0.007107 -0.008753 8.533209\nLi Cr O\n6 2 8\ndirect\n0.000010 0.500005 0.187511 Li\n0.000002 0.500021 0.687512 Li\n0.499976 0.500020 0.937510 Li\n0.499993 -0.000012 0.187512 Li\n0.499977 -0.000005 0.687511 Li\n0.000014 -0.000019 0.437510 Li\n-0.000018 0.000013 0.937502 Cr\n0.500016 0.499976 0.437501 Cr\n0.724817 0.724788 0.322264 O\n0.775205 0.224790 0.052715 O\n0.224790 0.224817 0.822264 O\n0.724797 0.275198 0.552718 O\n0.275232 0.724762 0.552708 O\n0.775177 0.775207 0.822265 O\n0.224771 0.775224 0.052712 O\n0.275207 0.275177 0.322266 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.704967479611367,
"density_atomic": 0.09524974608550829,
"volume": 167.97945041907371,
"volume_molar": 6.322474345069393,
"formula_full": "Li6 Cr2 O8",
"formula_reduced": "Li3CrO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.124716425,
"spacegroup": 121
},
{
"id": "jvasp-67583",
"created_at": "2022-09-04T14:35:51.582502Z",
"updated_at": "2022-09-04T14:35:51.582532Z",
"structure_string": "Na1 Be1 In1\n1.0\n-1.656031 1.656031 5.735327\n1.656031 -1.656031 5.735327\n1.656031 1.656031 -5.735327\nNa Be In\n1 1 1\ndirect\n0.657012 0.657012 0.000000 Na\n0.978384 0.978384 0.000000 Be\n0.364605 0.364605 0.000000 In\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Be",
"In"
],
"chemical_system": "Be-In-Na",
"density": 3.8750657245742235,
"density_atomic": 0.04768328361149799,
"volume": 62.91513026750957,
"volume_molar": 12.629459013489303,
"formula_full": "Na1 Be1 In1",
"formula_reduced": "NaBeIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.358006275,
"spacegroup": 107
},
{
"id": "jvasp-92390",
"created_at": "2022-09-04T14:35:51.582522Z",
"updated_at": "2022-09-04T14:35:51.582550Z",
"structure_string": "Ni4 O4\n1.0\n4.165300 -0.000354 -0.000915\n0.000565 4.165300 -0.000915\n0.000534 0.000534 4.165989\nNi O\n4 4\ndirect\n0.500000 0.000000 0.500000 Ni\n-0.000001 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.499999 0.500000 -0.000001 Ni\n-0.000001 0.500000 -0.000001 O\n0.500000 0.000000 -0.000001 O\n0.499999 0.500000 0.499999 O\n-0.000000 -0.000000 0.500000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 6.863997360967519,
"density_atomic": 0.11068257796815693,
"volume": 72.27876461552583,
"volume_molar": 5.4409111809200486,
"formula_full": "Ni4 O4",
"formula_reduced": "NiO",
"formula_anonymous": "AB",
"energy_above_hull": 0.8298229499999998,
"spacegroup": 225
},
{
"id": "jvasp-73358",
"created_at": "2022-09-04T14:35:51.583972Z",
"updated_at": "2022-09-04T14:35:51.583990Z",
"structure_string": "Be2 Tc1 P1\n1.0\n3.032571 -0.000000 -0.000000\n0.000000 3.032571 -0.000000\n-0.000000 0.000000 4.779667\nBe Tc P\n2 1 1\ndirect\n0.000000 0.000000 0.031214 Be\n0.500000 0.500000 0.235919 Be\n0.500000 0.500000 0.739611 Tc\n0.000000 0.000000 0.493257 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tc",
"P"
],
"chemical_system": "Be-P-Tc",
"density": 5.5531742376973146,
"density_atomic": 0.0909997912103336,
"volume": 43.956144808668256,
"volume_molar": 6.617752282618588,
"formula_full": "Be2 Tc1 P1",
"formula_reduced": "Be2TcP",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9670673000000005,
"spacegroup": 99
}
]
}