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=-spacegroup&page=4102",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4100",
"results": [
{
"id": "jvasp-123670",
"created_at": "2022-09-04T14:38:54.816420Z",
"updated_at": "2022-09-04T14:38:54.816449Z",
"structure_string": "Ho1 Se2\n1.0\n2.142258 -3.611238 -0.595530\n2.056296 3.561608 -0.000000\n-0.722302 0.417021 5.884745\nHo Se\n1 2\ndirect\n0.000000 0.333345 0.166667 Ho\n0.773397 0.720026 0.427863 Se\n0.226606 -0.053370 0.905472 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ho",
"Se"
],
"chemical_system": "Ho-Se",
"density": 6.193742963276376,
"density_atomic": 0.0346596453449386,
"volume": 86.55599242702853,
"volume_molar": 17.37507900056866,
"formula_full": "Ho1 Se2",
"formula_reduced": "HoSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7643907666666667,
"spacegroup": 12
},
{
"id": "jvasp-123647",
"created_at": "2022-09-04T14:38:54.691124Z",
"updated_at": "2022-09-04T14:38:54.691148Z",
"structure_string": "Bi1 Se2\n1.0\n2.105397 -3.647909 -0.281014\n2.106485 3.648537 -0.000000\n-0.347144 0.200424 5.595064\nBi Se\n1 2\ndirect\n0.000001 0.333294 0.166667 Bi\n0.724098 0.695403 0.474318 Se\n0.275905 -0.028694 0.859015 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 7.125881114945888,
"density_atomic": 0.0350883175336356,
"volume": 85.49854227476725,
"volume_molar": 17.162808545115297,
"formula_full": "Bi1 Se2",
"formula_reduced": "BiSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0150070111111114,
"spacegroup": 12
},
{
"id": "jvasp-121980",
"created_at": "2022-09-04T14:38:54.565424Z",
"updated_at": "2022-09-04T14:38:54.565454Z",
"structure_string": "Nb5 Sn1 Se8\n1.0\n9.295169 0.005395 2.128230\n8.648948 3.405274 2.128230\n-0.014783 -0.002810 9.396114\nNb Sn Se\n5 1 8\ndirect\n0.000000 0.000000 0.000000 Nb\n0.359068 0.359067 0.001261 Nb\n0.640934 0.640931 -0.001262 Nb\n0.287456 0.287454 0.370293 Nb\n0.712547 0.712543 0.629706 Nb\n0.500001 0.499999 0.500000 Sn\n0.569134 0.569131 0.798239 Se\n0.430869 0.430866 0.201761 Se\n0.085019 0.085019 0.193061 Se\n0.914984 0.914979 0.806939 Se\n0.150258 0.150257 0.489476 Se\n0.849745 0.849740 0.510524 Se\n0.241683 0.241681 0.840342 Se\n0.758320 0.758316 0.159657 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nb",
"Sn",
"Se"
],
"chemical_system": "Nb-Se-Sn",
"density": 6.790761419278295,
"density_atomic": 0.04712474901312188,
"volume": 297.0838103795885,
"volume_molar": 12.779146597307365,
"formula_full": "Nb5 Sn1 Se8",
"formula_reduced": "Nb5SnSe8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 3.389258973809524,
"spacegroup": 12
},
{
"id": "jvasp-123657",
"created_at": "2022-09-04T14:38:54.358228Z",
"updated_at": "2022-09-04T14:38:54.358245Z",
"structure_string": "Cu1 Se2\n1.0\n2.186502 -3.371971 -0.301796\n1.826962 3.164390 -0.000000\n-0.357710 0.206524 4.794117\nCu Se\n1 2\ndirect\n-0.000000 0.333268 0.166667 Cu\n0.777418 0.722074 0.442650 Se\n0.222582 -0.055344 0.890683 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"Se"
],
"chemical_system": "Cu-Se",
"density": 5.9077985727492015,
"density_atomic": 0.04819375606068334,
"volume": 62.248727744368786,
"volume_molar": 12.49568668691687,
"formula_full": "Cu1 Se2",
"formula_reduced": "CuSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6721490611111112,
"spacegroup": 12
},
{
"id": "jvasp-123677",
"created_at": "2022-09-04T14:38:54.338232Z",
"updated_at": "2022-09-04T14:38:54.338255Z",
"structure_string": "Li1 Se2\n1.0\n1.818336 -3.428974 -0.929335\n2.060412 3.568737 -0.000000\n-0.632511 0.365180 5.255224\nLi Se\n1 2\ndirect\n-0.000000 0.333334 0.166667 Li\n0.846119 0.756394 0.427996 Se\n0.153880 -0.089727 0.905337 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Se"
],
"chemical_system": "Li-Se",
"density": 4.000342300749022,
"density_atomic": 0.043838065579399746,
"volume": 68.43367654000114,
"volume_molar": 13.737241094939888,
"formula_full": "Li1 Se2",
"formula_reduced": "LiSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-123638",
"created_at": "2022-09-04T14:38:54.221843Z",
"updated_at": "2022-09-04T14:38:54.221866Z",
"structure_string": "Ac1 Se2\n1.0\n3.487126 -4.426803 -0.588187\n2.090163 3.620265 -0.000000\n-1.032006 0.595829 4.001977\nAc Se\n1 2\ndirect\n-0.000000 0.333323 0.166667 Ac\n0.706536 0.686608 0.506091 Se\n0.293463 -0.019930 0.827242 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ac",
"Se"
],
"chemical_system": "Ac-Se",
"density": 7.5533432426785545,
"density_atomic": 0.03545201306639655,
"volume": 84.62142881368764,
"volume_molar": 16.986738520944897,
"formula_full": "Ac1 Se2",
"formula_reduced": "AcSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5165989111111111,
"spacegroup": 12
},
{
"id": "jvasp-119585",
"created_at": "2022-09-04T14:38:54.036403Z",
"updated_at": "2022-09-04T14:38:54.036429Z",
"structure_string": "Li8 Co6 O14\n1.0\n2.819513 0.035678 -0.283572\n-0.130765 5.658055 -0.603534\n0.002670 0.018948 14.202582\nLi Co O\n8 6 14\ndirect\n0.934824 0.209278 0.869550 Li\n0.499999 0.500001 0.000000 Li\n0.065173 0.790723 0.130450 Li\n0.358404 0.933119 0.716741 Li\n0.786308 0.644593 0.572536 Li\n0.213689 0.355409 0.427464 Li\n0.641593 0.066883 0.283260 Li\n0.499999 0.000000 0.000000 Li\n0.785697 0.144200 0.571386 Co\n0.214300 0.855802 0.428614 Co\n0.357277 0.430847 0.714558 Co\n0.069699 0.278373 0.139344 Co\n0.930298 0.721629 0.860656 Co\n0.642720 0.569154 0.285442 Co\n0.288262 0.374769 0.576674 O\n0.859829 0.659721 0.719856 O\n0.575171 0.514131 0.150492 O\n0.005477 0.255333 0.010962 O\n0.427577 0.941619 0.855370 O\n0.140169 0.340281 0.280145 O\n0.711735 0.625233 0.423326 O\n0.853777 0.201452 0.707382 O\n0.572420 0.058383 0.144631 O\n0.994520 0.744668 0.989038 O\n0.424826 0.485870 0.849508 O\n0.716948 0.086439 0.434087 O\n0.283050 0.913563 0.565913 O\n0.146220 0.798549 0.292618 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.637965347393112,
"density_atomic": 0.12352397083510291,
"volume": 226.67665078042478,
"volume_molar": 4.875281064303863,
"formula_full": "Li8 Co6 O14",
"formula_reduced": "Li4Co3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.4819698,
"spacegroup": 12
},
{
"id": "jvasp-123549",
"created_at": "2022-09-04T14:38:53.994089Z",
"updated_at": "2022-09-04T14:38:53.994105Z",
"structure_string": "Ag1 P3\n1.0\n3.134854 0.000000 -1.003819\n0.290292 4.106092 0.906560\n0.121642 1.179932 5.776743\nAg P\n1 3\ndirect\n0.374995 0.125038 0.749992 Ag\n0.629065 -0.055457 0.258131 P\n0.120921 0.305442 0.241842 P\n0.875015 0.624975 0.750033 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"P"
],
"chemical_system": "Ag-P",
"density": 4.6853164885199,
"density_atomic": 0.05620938819230103,
"volume": 71.16248955273059,
"volume_molar": 10.713763222964326,
"formula_full": "Ag1 P3",
"formula_reduced": "AgP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.20425094,
"spacegroup": 12
},
{
"id": "jvasp-120411",
"created_at": "2022-09-04T14:38:54.254287Z",
"updated_at": "2022-09-04T14:38:54.254315Z",
"structure_string": "Ti4 Pb2 O9 F2\n1.0\n5.744325 -0.009881 5.090161\n4.465998 3.612787 5.090161\n-0.004116 -0.001452 10.330647\nTi Pb O F\n4 2 9 2\ndirect\n0.660764 0.660767 0.774131 Ti\n0.339234 0.339235 0.225869 Ti\n0.621001 0.621003 0.453223 Ti\n0.378997 0.378999 0.546777 Ti\n0.082523 0.082523 0.159089 Pb\n0.917475 0.917478 0.840911 Pb\n0.379434 0.379435 0.353187 O\n0.620564 0.620567 0.646813 O\n0.561954 0.561956 0.335916 O\n0.438043 0.438046 0.664085 O\n0.852503 0.852506 0.569612 O\n0.147495 0.147496 0.430388 O\n0.802590 0.802593 0.240849 O\n0.197407 0.197409 0.759152 O\n0.499999 0.500001 -0.000000 O\n0.713993 0.713996 0.936564 F\n0.286005 0.286006 0.063436 F\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Ti",
"Pb",
"O",
"F"
],
"chemical_system": "F-O-Pb-Ti",
"density": 6.086869130702129,
"density_atomic": 0.0790942775996192,
"volume": 214.9333746501257,
"volume_molar": 7.613876683322781,
"formula_full": "Ti4 Pb2 O9 F2",
"formula_reduced": "Ti4Pb2O9F2",
"formula_anonymous": "A2B2C4D9",
"energy_above_hull": 2.569925119901961,
"spacegroup": 12
},
{
"id": "jvasp-119744",
"created_at": "2022-09-04T14:38:53.703512Z",
"updated_at": "2022-09-04T14:38:53.703531Z",
"structure_string": "Li4 Ni3 O6 F1\n1.0\n4.921234 -0.028668 0.635872\n3.217800 3.723591 0.635872\n-0.028453 -0.012917 6.273904\nLi Ni O F\n4 3 6 1\ndirect\n0.424555 0.424553 0.711701 Li\n0.719087 0.719085 0.856832 Li\n0.280914 0.280913 0.143167 Li\n0.575446 0.575445 0.288298 Li\n0.142658 0.142656 0.571890 Ni\n0.000000 0.000000 0.000000 Ni\n0.857343 0.857342 0.428109 Ni\n0.195934 0.195932 0.854374 O\n0.658131 0.658130 0.561043 O\n0.941355 0.941353 0.703697 O\n0.804067 0.804067 0.145625 O\n0.341870 0.341869 0.438956 O\n0.058646 0.058646 0.296302 O\n0.500000 0.500000 -0.000000 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.578869325513142,
"density_atomic": 0.12107814121149472,
"volume": 115.62780746315991,
"volume_molar": 4.973763802238053,
"formula_full": "Li4 Ni3 O6 F1",
"formula_reduced": "Li4Ni3O6F",
"formula_anonymous": "AB3C4D6",
"energy_above_hull": 1.6639884630357145,
"spacegroup": 12
},
{
"id": "jvasp-120368",
"created_at": "2022-09-04T14:38:54.071294Z",
"updated_at": "2022-09-04T14:38:54.071322Z",
"structure_string": "As2 C2\n1.0\n7.627025 -0.954384 -2.963831\n3.273324 -2.702954 0.294060\n3.401168 3.521728 -8.709881\nAs C\n2 2\ndirect\n-0.279494 -0.033743 0.238606 As\n0.723135 0.866611 0.735767 As\n0.720878 -0.106225 0.547993 C\n0.722764 -0.060907 0.426382 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"C"
],
"chemical_system": "As-C",
"density": 3.517310338152766,
"density_atomic": 0.04873157148787991,
"volume": 82.0823108689373,
"volume_molar": 12.357780748970459,
"formula_full": "As2 C2",
"formula_reduced": "AsC",
"formula_anonymous": "AB",
"energy_above_hull": 3.161840875,
"spacegroup": 12
},
{
"id": "jvasp-111737",
"created_at": "2022-09-04T14:38:54.032005Z",
"updated_at": "2022-09-04T14:38:54.032032Z",
"structure_string": "Na3 Eu2 Ge2 Se6\n1.0\n7.254895 0.039341 1.153411\n-3.854690 6.146254 1.153411\n0.090785 0.165155 7.630795\nNa Eu Ge Se\n3 2 2 6\ndirect\n0.666072 0.333928 -0.000000 Na\n0.333928 0.666071 -0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.833382 0.166618 0.500000 Eu\n0.166618 0.833382 0.500000 Eu\n0.559140 0.559139 0.320729 Ge\n0.440860 0.440861 0.679271 Ge\n0.219144 0.219144 0.253420 Se\n0.780856 0.780856 0.746580 Se\n0.582653 0.940722 0.261584 Se\n0.417347 0.059278 0.738416 Se\n0.059277 0.417347 0.738416 Se\n0.940723 0.582653 0.261584 Se\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Na",
"Eu",
"Ge",
"Se"
],
"chemical_system": "Eu-Ge-Na-Se",
"density": 4.863703011169314,
"density_atomic": 0.03838637291362678,
"volume": 338.661848287967,
"volume_molar": 15.688225541783869,
"formula_full": "Na3 Eu2 Ge2 Se6",
"formula_reduced": "Na3Eu2(GeSe3)2",
"formula_anonymous": "A2B2C3D6",
"energy_above_hull": 0.9361160846153844,
"spacegroup": 12
}
]
}