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=-nelements&page=130",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=128",
"results": [
{
"id": "jvasp-101906",
"created_at": "2022-09-04T14:37:08.770355Z",
"updated_at": "2022-09-04T14:37:08.770371Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n3.885842 0.207391 -0.089895\n1.446823 4.436020 0.287816\n-0.666265 0.015568 8.326923\nZn H C O\n1 6 5 4\ndirect\n0.966844 0.738697 0.754514 Zn\n-0.002822 0.366586 0.370063 H\n0.447870 0.351169 0.439564 H\n0.283491 0.907346 0.206283 H\n0.093058 0.456514 0.084884 H\n0.728406 0.907672 0.274477 H\n0.537846 0.448838 0.145649 H\n0.322547 -0.011763 0.537953 C\n0.287794 0.210376 0.395849 C\n0.435067 0.055957 0.245591 C\n0.383624 0.299530 0.109128 C\n0.511910 0.186592 0.950588 C\n0.064015 0.061696 0.627419 O\n0.610495 0.740121 0.564913 O\n0.739468 0.909473 0.950143 O\n0.407674 0.370628 0.823421 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.307160727125354,
"density_atomic": 0.1137063660763042,
"volume": 140.713317575051,
"volume_molar": 5.29622128277212,
"formula_full": "Zn1 H6 C5 O4",
"formula_reduced": "ZnH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.145520274999999,
"spacegroup": 1
},
{
"id": "jvasp-12616",
"created_at": "2022-09-04T14:37:07.664977Z",
"updated_at": "2022-09-04T14:37:07.664994Z",
"structure_string": "Ba2 Nd2 Co4 O11\n1.0\n3.830185 0.000000 0.000000\n0.000000 7.585376 0.000000\n0.000000 0.000000 7.984018\nBa Nd Co O\n2 2 4 11\ndirect\n0.500001 0.000000 0.752719 Ba\n0.500001 0.000000 0.247282 Ba\n0.500001 0.500000 0.268450 Nd\n0.500001 0.500000 0.731550 Nd\n0.000000 0.254162 0.000000 Co\n0.000000 0.745839 0.000000 Co\n0.000000 0.751921 0.500000 Co\n0.000000 0.248079 0.500000 Co\n0.000000 0.000000 0.000000 O\n0.500001 0.695221 0.000000 O\n0.500001 0.304780 0.000000 O\n0.500001 0.732916 0.500000 O\n0.000000 0.711579 0.235271 O\n0.000000 0.711579 0.764730 O\n0.000000 0.288421 0.235271 O\n0.000000 0.500000 0.500000 O\n0.000000 0.288421 0.764730 O\n0.500001 0.267085 0.500000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Co",
"O"
],
"chemical_system": "Ba-Co-Nd-O",
"density": 6.978704974278444,
"density_atomic": 0.08190967998749013,
"volume": 231.9628156635678,
"volume_molar": 7.352172247431253,
"formula_full": "Ba2 Nd2 Co4 O11",
"formula_reduced": "Ba2Nd2Co4O11",
"formula_anonymous": "A2B2C4D11",
"energy_above_hull": 2.7011519494736844,
"spacegroup": 47
},
{
"id": "jvasp-13834",
"created_at": "2022-09-04T14:37:19.381320Z",
"updated_at": "2022-09-04T14:37:19.381343Z",
"structure_string": "Ba2 Y1 Cu4 O8\n1.0\n3.946570 0.000000 0.000000\n0.000000 3.718767 -0.532730\n0.000000 0.194320 14.602415\nBa Y Cu O\n2 1 4 8\ndirect\n0.500000 0.358683 0.717366 Ba\n0.500000 0.641317 0.282635 Ba\n0.500000 0.000000 0.000000 Y\n0.000000 0.925495 0.850988 Cu\n0.000000 0.074506 0.149012 Cu\n0.000000 0.786541 0.573081 Cu\n0.000000 0.213460 0.426920 Cu\n0.000000 0.851136 0.702271 O\n0.000000 0.148865 0.297729 O\n0.000000 0.455701 0.911402 O\n0.000000 0.544300 0.088599 O\n0.500000 0.925189 0.850377 O\n0.500000 0.074812 0.149623 O\n0.000000 0.279599 0.559198 O\n0.000000 0.720402 0.440803 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Y",
"density": 5.767205026283612,
"density_atomic": 0.06985872700121112,
"volume": 214.71905721585722,
"volume_molar": 8.62045590938924,
"formula_full": "Ba2 Y1 Cu4 O8",
"formula_reduced": "Ba2Y(CuO2)4",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 1.5515358126666667,
"spacegroup": 65
},
{
"id": "jvasp-12644",
"created_at": "2022-09-04T14:37:19.374648Z",
"updated_at": "2022-09-04T14:37:19.374679Z",
"structure_string": "Ba1 Nd1 Mn2 O6\n1.0\n3.905296 0.000000 -0.000000\n0.000000 3.905296 0.000000\n0.000000 0.000000 7.802721\nBa Nd Mn O\n1 1 2 6\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.753786 Mn\n0.500000 0.500000 0.246214 Mn\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.773369 O\n0.500000 0.000000 0.773369 O\n0.000000 0.500000 0.226631 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.226631 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-Nd-O",
"density": 6.80170197239688,
"density_atomic": 0.08403225318283603,
"volume": 119.00192629896715,
"volume_molar": 7.16646350883526,
"formula_full": "Ba1 Nd1 Mn2 O6",
"formula_reduced": "BaNdMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.650387295275862,
"spacegroup": 123
},
{
"id": "jvasp-57222",
"created_at": "2022-09-04T14:37:08.807282Z",
"updated_at": "2022-09-04T14:37:08.807300Z",
"structure_string": "Ba2 Ni1 Mo1 O6\n1.0\n4.961672 -0.000005 2.864616\n1.653879 4.677918 2.864628\n-0.000016 -0.000011 5.729251\nBa Ni Mo O\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Ba\n0.249999 0.250000 0.249999 Ba\n0.000005 0.000000 0.000000 Ni\n0.500000 0.500001 0.500000 Mo\n0.260029 0.260031 0.739969 O\n0.739967 0.260032 0.739970 O\n0.739967 0.260031 0.260031 O\n0.739967 0.739970 0.260032 O\n0.260030 0.739969 0.260031 O\n0.260030 0.739970 0.739969 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ni",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-Ni-O",
"density": 6.559389257046494,
"density_atomic": 0.07520042578738714,
"volume": 132.97797047416762,
"volume_molar": 8.008120561745612,
"formula_full": "Ba2 Ni1 Mo1 O6",
"formula_reduced": "Ba2NiMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.273434124,
"spacegroup": 225
},
{
"id": "jvasp-108908",
"created_at": "2022-09-04T14:37:27.007396Z",
"updated_at": "2022-09-04T14:37:27.007417Z",
"structure_string": "Sr2 Pr1 Ta1 O6\n1.0\n5.267019 -0.000000 3.040915\n1.755673 4.965793 3.040915\n-0.000000 -0.000000 6.081830\nSr Pr Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.749999 Sr\n0.500000 0.500000 0.499999 Pr\n0.000000 0.000000 0.000000 Ta\n0.768562 0.231438 0.231438 O\n0.231438 0.768561 0.768561 O\n0.231438 0.768561 0.231438 O\n0.768562 0.231438 0.768561 O\n0.231438 0.231438 0.768561 O\n0.768561 0.768561 0.231437 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Pr",
"Ta",
"O"
],
"chemical_system": "O-Pr-Sr-Ta",
"density": 6.191321247837352,
"density_atomic": 0.06286547864129642,
"volume": 159.06981408761573,
"volume_molar": 9.57940811102653,
"formula_full": "Sr2 Pr1 Ta1 O6",
"formula_reduced": "Sr2PrTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.282351267,
"spacegroup": 225
},
{
"id": "jvasp-8609",
"created_at": "2022-09-04T14:37:07.295257Z",
"updated_at": "2022-09-04T14:37:07.295278Z",
"structure_string": "Sr2 Co1 Cl2 O2\n1.0\n3.783093 0.000000 -0.981297\n-0.254539 3.774519 -0.981297\n0.198036 0.211841 8.546393\nSr Co Cl O\n2 1 2 2\ndirect\n0.608693 0.608693 0.217385 Sr\n0.391308 0.391307 0.782614 Sr\n0.000000 0.000000 0.000000 Co\n0.186360 0.186362 0.372721 Cl\n0.813639 0.813638 0.627278 Cl\n0.500000 0.000000 -0.000000 O\n0.999998 0.500000 -0.000001 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Co",
"Cl",
"O"
],
"chemical_system": "Cl-Co-O-Sr",
"density": 4.528208889939917,
"density_atomic": 0.05662979553063882,
"volume": 123.60984062202273,
"volume_molar": 10.634226564956954,
"formula_full": "Sr2 Co1 Cl2 O2",
"formula_reduced": "Sr2Co(ClO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.8442926650000001,
"spacegroup": 139
},
{
"id": "jvasp-10475",
"created_at": "2022-09-04T14:37:08.053580Z",
"updated_at": "2022-09-04T14:37:08.053600Z",
"structure_string": "K4 Nb2 Cu2 Se8\n1.0\n5.603387 0.000000 1.346528\n2.801693 6.717563 0.673265\n0.016425 -0.000000 12.263762\nK Nb Cu Se\n4 2 2 8\ndirect\n0.804821 0.750000 0.390357 K\n0.445179 0.750000 0.109643 K\n0.195180 0.250000 0.609643 K\n0.554822 0.250000 0.890357 K\n0.625001 0.750000 0.750000 Nb\n0.375000 0.250000 0.250000 Nb\n0.875001 0.250000 0.250000 Cu\n0.125001 0.750000 0.750000 Cu\n0.455343 0.460789 0.366604 Se\n0.178053 0.039211 0.366604 Se\n0.544658 0.539210 0.633395 Se\n0.217264 0.960789 0.866604 Se\n0.916133 0.539210 0.866604 Se\n0.821948 0.960789 0.633395 Se\n0.083868 0.460789 0.133395 Se\n0.782737 0.039211 0.133396 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"Nb",
"Cu",
"Se"
],
"chemical_system": "Cu-K-Nb-Se",
"density": 3.9616986772934393,
"density_atomic": 0.034671585384487356,
"volume": 461.4729849405348,
"volume_molar": 17.36909545155788,
"formula_full": "K4 Nb2 Cu2 Se8",
"formula_reduced": "K2NbCuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.1563611645833332,
"spacegroup": 70
},
{
"id": "jvasp-11776",
"created_at": "2022-09-04T14:37:08.715284Z",
"updated_at": "2022-09-04T14:37:08.715301Z",
"structure_string": "Li2 Mn2 V2 O8\n1.0\n5.189166 0.034760 0.000000\n-2.012398 4.783190 0.000000\n0.000000 -0.000000 6.298704\nLi Mn V O\n2 2 2 8\ndirect\n0.664490 0.335510 0.750000 Li\n0.335511 0.664489 0.250001 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.355112 0.644888 0.750000 V\n0.644888 0.355113 0.250001 V\n0.276020 0.240027 0.250001 O\n0.239397 0.760603 0.526425 O\n0.760605 0.239396 0.026426 O\n0.760605 0.239396 0.473573 O\n0.723978 0.759972 0.750000 O\n0.239397 0.760603 0.973574 O\n0.240026 0.276020 0.750000 O\n0.759972 0.723979 0.250001 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 3.745564681491799,
"density_atomic": 0.08929752329319036,
"volume": 156.77926423596128,
"volume_molar": 6.743905696272804,
"formula_full": "Li2 Mn2 V2 O8",
"formula_reduced": "LiMnVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.7602022059113303,
"spacegroup": 63
},
{
"id": "jvasp-21733",
"created_at": "2022-09-04T14:37:30.684504Z",
"updated_at": "2022-09-04T14:37:30.684521Z",
"structure_string": "Li2 Sm4 Ir2 O12\n1.0\n0.000000 5.360174 -0.001275\n5.809115 0.000000 0.000000\n0.000000 -5.263893 -7.647929\nLi Sm Ir O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.772216 0.078454 0.251608 Sm\n0.227784 0.578454 0.248392 Sm\n0.772216 0.421547 0.751608 Sm\n0.227785 0.921547 0.748392 Sm\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.856790 0.186499 0.550813 O\n0.143210 0.686500 0.949188 O\n0.143210 0.813502 0.449188 O\n0.856790 0.313501 0.050813 O\n0.355568 0.531555 0.751244 O\n0.730861 0.793213 0.054330 O\n0.269139 0.206788 0.945671 O\n0.730862 0.706788 0.554330 O\n0.644433 0.468446 0.248756 O\n0.269139 0.293213 0.445671 O\n0.644433 0.031555 0.748757 O\n0.355568 0.968446 0.251244 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Sm",
"Ir",
"O"
],
"chemical_system": "Ir-Li-O-Sm",
"density": 8.308641408057891,
"density_atomic": 0.08397039393029894,
"volume": 238.17918511375976,
"volume_molar": 7.1717428942857895,
"formula_full": "Li2 Sm4 Ir2 O12",
"formula_reduced": "LiSm2IrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.481429985,
"spacegroup": 14
},
{
"id": "jvasp-11435",
"created_at": "2022-09-04T14:37:19.361610Z",
"updated_at": "2022-09-04T14:37:19.361630Z",
"structure_string": "Ga1 Si1 Mo4 S8\n1.0\n6.457674 -0.000000 3.728339\n2.152558 6.088353 3.728339\n0.000000 0.000000 7.456680\nGa Si Mo S\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Si\n0.782352 0.405882 0.405883 Mo\n0.405882 0.405882 0.782352 Mo\n0.405882 0.405882 0.405882 Mo\n0.405882 0.782352 0.405883 Mo\n0.136033 0.136033 0.136033 S\n0.591901 0.136033 0.136033 S\n0.136033 0.136033 0.591901 S\n0.136033 0.591901 0.136033 S\n0.625839 0.122481 0.625840 S\n0.625840 0.625839 0.625840 S\n0.625840 0.625839 0.122481 S\n0.122481 0.625839 0.625840 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ga",
"Si",
"Mo",
"S"
],
"chemical_system": "Ga-Mo-S-Si",
"density": 4.180575668970773,
"density_atomic": 0.04775365176818611,
"volume": 293.17129646882665,
"volume_molar": 12.610848672335466,
"formula_full": "Ga1 Si1 Mo4 S8",
"formula_reduced": "GaSi(MoS2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 3.655831751785714,
"spacegroup": 216
},
{
"id": "jvasp-42832",
"created_at": "2022-09-04T14:37:30.665768Z",
"updated_at": "2022-09-04T14:37:30.665787Z",
"structure_string": "Li2 V3 Cu1 O8\n1.0\n5.981058 0.132468 0.093669\n3.105250 5.113515 0.093669\n3.105251 1.792817 4.789845\nLi V Cu O\n2 3 1 8\ndirect\n0.124186 0.124186 0.124186 Li\n0.875814 0.875814 0.875813 Li\n0.000000 0.500000 0.500000 V\n0.500000 0.000001 0.500000 V\n0.500000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 Cu\n0.260034 0.260033 0.260033 O\n0.250048 0.250048 0.714150 O\n0.250048 0.714150 0.250047 O\n0.714150 0.250048 0.250047 O\n0.285850 0.749953 0.749952 O\n0.749953 0.285850 0.749952 O\n0.749953 0.749952 0.285850 O\n0.739967 0.739967 0.739966 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O-V",
"density": 4.171942551659515,
"density_atomic": 0.09818244587857311,
"volume": 142.5916809743614,
"volume_molar": 6.133622671661559,
"formula_full": "Li2 V3 Cu1 O8",
"formula_reduced": "Li2V3CuO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.7832165035714285,
"spacegroup": 166
}
]
}