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=1068",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1066",
"results": [
{
"id": "jvasp-9466",
"created_at": "2022-09-04T14:38:13.796451Z",
"updated_at": "2022-09-04T14:38:13.796474Z",
"structure_string": "Ba2 Tl1 Ni2 O7\n1.0\n0.000000 3.645629 -0.000484\n3.645637 0.000000 0.000000\n0.000000 -0.001569 -13.242121\nBa Tl Ni O\n2 1 2 7\ndirect\n0.000002 0.000000 0.283577 Ba\n-0.000015 0.000000 0.716426 Ba\n0.499985 0.500000 0.500004 Tl\n0.500012 0.500000 0.094501 Ni\n0.500026 0.500000 0.905507 Ni\n-0.000002 0.000000 0.500002 O\n0.500010 0.000000 0.119527 O\n0.000014 0.500000 0.119506 O\n0.499968 0.000000 0.880499 O\n0.000009 0.500000 0.880478 O\n0.500001 0.500000 0.341691 O\n0.499985 0.500000 0.658315 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Tl",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Tl",
"density": 6.683999326059475,
"density_atomic": 0.06818326497353142,
"volume": 175.99626542757042,
"volume_molar": 8.832285696992924,
"formula_full": "Ba2 Tl1 Ni2 O7",
"formula_reduced": "Ba2TlNi2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.6960219866666668,
"spacegroup": 123
},
{
"id": "jvasp-20165",
"created_at": "2022-09-04T14:38:13.788817Z",
"updated_at": "2022-09-04T14:38:13.788838Z",
"structure_string": "N8\n1.0\n5.470712 -0.000000 0.000000\n0.000000 5.470712 0.000000\n0.000000 0.000000 5.470712\nN\n8\ndirect\n0.058549 0.058549 0.058549 N\n0.441451 0.941451 0.558548 N\n0.558548 0.441451 0.941451 N\n0.941451 0.558548 0.441451 N\n0.941498 0.941498 0.941498 N\n0.558502 0.058502 0.441498 N\n0.441498 0.558502 0.058502 N\n0.058502 0.441498 0.558502 N\n",
"nsites": 8,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 1.1364317381902522,
"density_atomic": 0.04886055883168926,
"volume": 163.73124236171196,
"volume_molar": 12.325157353898804,
"formula_full": "N8",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy_above_hull": 0.0011132499999995,
"spacegroup": 205
},
{
"id": "jvasp-59181",
"created_at": "2022-09-04T14:38:13.785032Z",
"updated_at": "2022-09-04T14:38:13.785059Z",
"structure_string": "Cr4 O4 F12\n1.0\n5.171500 -0.000000 0.000000\n0.000000 5.171500 0.000000\n-0.000000 0.000000 8.918297\nCr O F\n4 4 12\ndirect\n0.571381 0.111124 0.753446 Cr\n0.888876 0.571381 0.003446 Cr\n0.111124 0.428619 0.503446 Cr\n0.428619 0.888876 0.253446 Cr\n0.313550 0.078375 0.840101 O\n0.686450 0.921625 0.340101 O\n0.921625 0.313550 0.090100 O\n0.078375 0.686450 0.590101 O\n0.576191 0.847711 0.629099 F\n0.319450 0.563188 0.340777 F\n0.680550 0.436812 0.840777 F\n0.054155 0.795762 0.127778 F\n0.423809 0.152289 0.129099 F\n0.795762 0.945845 0.877778 F\n0.563188 0.680550 0.090777 F\n0.152289 0.576191 0.879099 F\n0.436812 0.319450 0.590777 F\n0.945845 0.204238 0.627778 F\n0.204238 0.054155 0.377778 F\n0.847711 0.423809 0.379099 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cr",
"O",
"F"
],
"chemical_system": "Cr-F-O",
"density": 3.4807419959105137,
"density_atomic": 0.08385230519509072,
"volume": 238.51461153593826,
"volume_molar": 7.1818428199307,
"formula_full": "Cr4 O4 F12",
"formula_reduced": "CrOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9818103494999996,
"spacegroup": 76
},
{
"id": "jvasp-52271",
"created_at": "2022-09-04T14:38:13.784033Z",
"updated_at": "2022-09-04T14:38:13.784063Z",
"structure_string": "Li2 Ag2 F4\n1.0\n0.000000 3.046636 -0.017060\n6.806016 0.000000 0.000000\n0.000000 -3.011988 -4.962787\nLi Ag F\n2 2 4\ndirect\n0.538959 0.065013 0.936085 Li\n0.538959 0.934987 0.436084 Li\n0.845902 0.392886 0.372076 Ag\n0.845902 0.607115 0.872076 Ag\n0.918235 0.064248 0.314322 F\n0.430889 0.327713 0.856366 F\n0.918235 0.935752 0.814322 F\n0.430889 0.672288 0.356366 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.914811933979071,
"density_atomic": 0.07747781643635214,
"volume": 103.25536221806125,
"volume_molar": 7.772729068774383,
"formula_full": "Li2 Ag2 F4",
"formula_reduced": "LiAgF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0161025,
"spacegroup": 7
},
{
"id": "jvasp-17459",
"created_at": "2022-09-04T14:38:13.784004Z",
"updated_at": "2022-09-04T14:38:13.784034Z",
"structure_string": "Co1 Pd1 O2\n1.0\n2.773861 -0.001773 5.516755\n1.307466 2.446393 5.516755\n-0.002960 -0.001773 6.174859\nCo Pd O\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Co\n-0.000000 -0.000000 -0.000000 Pd\n0.887527 0.887527 0.887526 O\n0.112474 0.112474 0.112474 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Co",
"Pd",
"O"
],
"chemical_system": "Co-O-Pd",
"density": 7.808037182951439,
"density_atomic": 0.09530402566499907,
"volume": 41.970944795766606,
"volume_molar": 6.318873434757399,
"formula_full": "Co1 Pd1 O2",
"formula_reduced": "CoPdO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1891334,
"spacegroup": 166
},
{
"id": "jvasp-59198",
"created_at": "2022-09-04T14:38:13.773744Z",
"updated_at": "2022-09-04T14:38:13.773760Z",
"structure_string": "Ba2 Mn4 O16\n1.0\n6.850737 -0.032384 -1.661147\n-3.635366 5.806700 -1.661147\n0.014064 0.025256 8.292629\nBa Mn O\n2 4 16\ndirect\n0.875000 0.125001 0.250000 Ba\n0.124999 0.875001 0.750000 Ba\n0.572030 0.427970 0.250000 Mn\n0.177970 0.822030 0.250000 Mn\n0.427970 0.572031 0.750000 Mn\n0.822030 0.177971 0.750000 Mn\n0.936385 0.131849 0.919825 O\n0.212022 0.516560 0.580174 O\n0.649985 0.640368 0.698770 O\n0.941598 0.451217 0.801230 O\n0.359632 0.350015 0.801230 O\n0.131848 0.936385 0.419825 O\n0.058402 0.548785 0.198770 O\n0.640368 0.649986 0.198770 O\n0.451215 0.941598 0.301229 O\n0.483440 0.787978 0.919825 O\n0.868152 0.063616 0.580174 O\n0.787977 0.483442 0.419825 O\n0.063615 0.868152 0.080174 O\n0.516559 0.212023 0.080174 O\n0.350014 0.359633 0.301230 O\n0.548785 0.058403 0.698770 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 3.7818809012617156,
"density_atomic": 0.06677141584548986,
"volume": 329.482304986738,
"volume_molar": 9.019040084360846,
"formula_full": "Ba2 Mn4 O16",
"formula_reduced": "BaMn2O8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 2.8642116775235107,
"spacegroup": 70
},
{
"id": "jvasp-12342",
"created_at": "2022-09-04T14:38:13.770757Z",
"updated_at": "2022-09-04T14:38:13.770775Z",
"structure_string": "Sn2 Pb2 F8\n1.0\n4.390267 -0.000000 0.000000\n0.000000 4.390267 -0.000000\n0.000000 -0.000000 10.191161\nSn Pb F\n2 2 8\ndirect\n0.500000 0.000000 0.128784 Sn\n0.000000 0.500000 0.871216 Sn\n0.500000 0.000000 0.621095 Pb\n0.000000 0.500000 0.378905 Pb\n0.500000 0.000000 0.336033 F\n0.000000 0.500000 0.663967 F\n0.000000 0.000000 0.500000 F\n0.500000 0.500000 0.500000 F\n0.500000 0.500000 0.191592 F\n0.000000 0.000000 0.191592 F\n0.000000 0.000000 0.808408 F\n0.500000 0.500000 0.808408 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sn",
"Pb",
"F"
],
"chemical_system": "F-Pb-Sn",
"density": 6.795094082174539,
"density_atomic": 0.061090786573451045,
"volume": 196.4289653657035,
"volume_molar": 9.85769065644526,
"formula_full": "Sn2 Pb2 F8",
"formula_reduced": "SnPbF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-20536",
"created_at": "2022-09-04T14:38:13.769364Z",
"updated_at": "2022-09-04T14:38:13.769392Z",
"structure_string": "Yb2 Ni4\n1.0\n4.259809 0.000000 2.459401\n1.419936 4.016186 2.459401\n0.000000 0.000000 4.918804\nYb Ni\n2 4\ndirect\n0.875001 0.875001 0.874998 Yb\n0.125000 0.125000 0.125000 Yb\n0.500000 0.500000 0.499999 Ni\n0.500000 0.500000 -0.000001 Ni\n0.000000 0.500000 0.499999 Ni\n0.500000 -0.000000 0.499999 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Ni"
],
"chemical_system": "Ni-Yb",
"density": 11.461786659968348,
"density_atomic": 0.07129971406007268,
"volume": 84.15181013131098,
"volume_molar": 8.446234096992479,
"formula_full": "Yb2 Ni4",
"formula_reduced": "YbNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3732364000000001,
"spacegroup": 227
},
{
"id": "jvasp-9244",
"created_at": "2022-09-04T14:38:13.767499Z",
"updated_at": "2022-09-04T14:38:13.767526Z",
"structure_string": "Mg2 V4 O12\n1.0\n4.826741 -0.139798 0.000993\n-0.154682 5.264395 0.007586\n-0.001599 -0.010664 8.134043\nMg V O\n2 4 12\ndirect\n0.586793 0.495144 0.751731 Mg\n0.086937 -0.003952 0.248296 Mg\n0.470258 0.988586 0.941895 V\n0.970165 0.488856 0.058100 V\n0.049150 0.476609 0.518310 V\n0.549150 0.976423 0.481710 V\n0.676907 0.993784 0.289532 O\n0.176843 0.493967 0.710493 O\n0.707877 0.751057 0.932968 O\n0.207182 0.774297 0.060895 O\n0.726609 0.273368 0.567556 O\n0.707618 0.273605 0.939212 O\n0.208309 0.251852 0.066941 O\n0.351605 -0.002343 0.752557 O\n0.226222 0.773847 0.432474 O\n0.734292 0.748408 0.574109 O\n0.234733 0.248970 0.425876 O\n0.851529 0.497456 0.247450 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 3.5731613886433924,
"density_atomic": 0.08716306258782969,
"volume": 206.50949456786623,
"volume_molar": 6.9090513586897,
"formula_full": "Mg2 V4 O12",
"formula_reduced": "MgV2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.6534364944444446,
"spacegroup": 7
},
{
"id": "jvasp-59266",
"created_at": "2022-09-04T14:38:13.760296Z",
"updated_at": "2022-09-04T14:38:13.760321Z",
"structure_string": "Li8 H8 S8\n1.0\n3.904391 -0.000000 0.000000\n0.000000 7.804094 0.000000\n0.000000 0.000000 12.158318\nLi H S\n8 8 8\ndirect\n0.500088 0.501286 0.375014 Li\n0.499911 0.498714 0.624986 Li\n0.500088 0.498714 0.875014 Li\n0.499911 0.001286 0.375014 Li\n0.499911 0.998713 0.875014 Li\n0.499911 0.501286 0.124986 Li\n0.500088 0.998713 0.624986 Li\n0.500088 0.001286 0.124986 Li\n0.000000 0.187003 0.750000 H\n0.000000 0.812997 0.250000 H\n0.000000 0.687002 0.750000 H\n0.000000 0.312997 0.250000 H\n0.881786 0.750000 0.000000 H\n0.881786 0.250000 0.500000 H\n0.118213 0.250000 0.000000 H\n0.118213 0.750000 0.500000 H\n0.464249 0.750000 0.500000 S\n0.535751 0.750000 0.000000 S\n0.535751 0.250000 0.500000 S\n0.464249 0.250000 0.000000 S\n0.000000 0.486146 0.250000 S\n0.000000 0.513853 0.750000 S\n0.000000 0.986146 0.250000 S\n0.000000 0.013854 0.750000 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"H",
"S"
],
"chemical_system": "H-Li-S",
"density": 1.4348321791279421,
"density_atomic": 0.06478313322311223,
"volume": 370.46679908710695,
"volume_molar": 9.295846712538323,
"formula_full": "Li8 H8 S8",
"formula_reduced": "LiHS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.24781,
"spacegroup": 54
},
{
"id": "jvasp-12355",
"created_at": "2022-09-04T14:38:13.758712Z",
"updated_at": "2022-09-04T14:38:13.758739Z",
"structure_string": "Zr4 Fe6 Ge2\n1.0\n2.503764 -4.336645 -0.000000\n2.503764 4.336645 0.000000\n0.000000 0.000000 8.150895\nZr Fe Ge\n4 6 2\ndirect\n0.666666 0.333332 0.065702 Zr\n0.333332 0.666666 0.565703 Zr\n0.666666 0.333332 0.434298 Zr\n0.333332 0.666666 0.934298 Zr\n0.826431 0.173567 0.750000 Fe\n0.173568 0.347137 0.250000 Fe\n0.652862 0.826431 0.250000 Fe\n0.347137 0.173568 0.750000 Fe\n0.826431 0.652862 0.750000 Fe\n0.173567 0.826431 0.250000 Fe\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Zr",
"density": 7.9295705002628365,
"density_atomic": 0.06779515984993079,
"volume": 177.00378650279487,
"volume_molar": 8.882847644773491,
"formula_full": "Zr4 Fe6 Ge2",
"formula_reduced": "Zr2Fe3Ge",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.571403575,
"spacegroup": 194
},
{
"id": "jvasp-17706",
"created_at": "2022-09-04T14:38:13.755677Z",
"updated_at": "2022-09-04T14:38:13.755716Z",
"structure_string": "Er3 Pb1 C1\n1.0\n5.588167 -0.000000 0.000000\n0.000000 5.588167 0.000000\n-0.000000 -0.000000 5.588167\nEr Pb C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.500000 0.000000 0.500000 Er\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"Pb",
"C"
],
"chemical_system": "C-Er-Pb",
"density": 6.860706239593581,
"density_atomic": 0.02865245738735959,
"volume": 174.5051020372799,
"volume_molar": 21.017885756133246,
"formula_full": "Er3 Pb1 C1",
"formula_reduced": "Er3PbC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.536330164,
"spacegroup": 221
}
]
}