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=1213",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1211",
"results": [
{
"id": "jvasp-109908",
"created_at": "2022-09-04T14:38:07.165001Z",
"updated_at": "2022-09-04T14:38:07.165023Z",
"structure_string": "Li2 Mn2 F6\n1.0\n4.993537 -0.004078 0.000000\n-4.101838 2.847868 0.000000\n-0.000000 -0.000000 7.058335\nLi Mn F\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.747886 0.252114 0.250000 Mn\n0.252114 0.747886 0.749999 Mn\n0.642086 0.357914 0.567610 F\n0.911275 0.088725 0.749999 F\n0.642086 0.357914 0.932389 F\n0.357914 0.642087 0.432389 F\n0.357914 0.642087 0.067610 F\n0.088726 0.911275 0.250000 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.9377454859787635,
"density_atomic": 0.09974261324122596,
"volume": 100.25805094774442,
"volume_molar": 6.037680951305683,
"formula_full": "Li2 Mn2 F6",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4177316177758621,
"spacegroup": 63
},
{
"id": "jvasp-35259",
"created_at": "2022-09-04T14:38:07.405105Z",
"updated_at": "2022-09-04T14:38:07.405139Z",
"structure_string": "Al2 Sb2\n1.0\n2.809034 3.312357 0.003599\n-2.809034 3.312357 0.003599\n0.000000 -0.006600 5.342379\nAl Sb\n2 2\ndirect\n0.371404 0.371404 0.750023 Al\n0.628597 0.628597 0.249977 Al\n0.793464 0.793464 0.749999 Sb\n0.206537 0.206537 0.250002 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Sb"
],
"chemical_system": "Al-Sb",
"density": 4.968805025880433,
"density_atomic": 0.040234683017038655,
"volume": 99.41671463662514,
"volume_molar": 14.967536235962722,
"formula_full": "Al2 Sb2",
"formula_reduced": "AlSb",
"formula_anonymous": "AB",
"energy_above_hull": 1.0849094500000005,
"spacegroup": 63
},
{
"id": "jvasp-33884",
"created_at": "2022-09-04T14:38:07.407844Z",
"updated_at": "2022-09-04T14:38:07.407867Z",
"structure_string": "H2 C2\n1.0\n-0.039833 0.000000 2.467447\n-2.570631 2.816785 -0.033826\n-2.570631 -2.816785 -0.033826\nH C\n2 2\ndirect\n0.251697 0.223179 0.223179 H\n0.748301 0.776820 0.776820 H\n0.250368 0.436571 0.436571 C\n0.749630 0.563428 0.563428 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.2097097949531659,
"density_atomic": 0.11191710757001128,
"volume": 35.74073782685766,
"volume_molar": 5.380893851489834,
"formula_full": "H2 C2",
"formula_reduced": "HC",
"formula_anonymous": "AB",
"energy_above_hull": 2.882995,
"spacegroup": 63
},
{
"id": "jvasp-38141",
"created_at": "2022-09-04T14:38:07.735710Z",
"updated_at": "2022-09-04T14:38:07.735720Z",
"structure_string": "Y2 W2 N6\n1.0\n0.875117 3.348486 0.000000\n0.000000 -0.000000 6.048676\n6.818804 0.006523 -0.000000\nY W N\n2 2 6\ndirect\n0.314614 0.250000 0.370772 Y\n0.685387 0.750001 0.629228 Y\n0.930126 0.750001 0.139750 W\n0.069874 0.250000 0.860250 W\n0.840127 0.982589 0.319748 N\n0.159873 0.482589 0.680252 N\n0.498161 0.750001 0.003680 N\n0.159873 0.017412 0.680252 N\n0.840127 0.517412 0.319748 N\n0.501840 0.250000 0.996320 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"W",
"N"
],
"chemical_system": "N-W-Y",
"density": 7.571090090164721,
"density_atomic": 0.07242551210728068,
"volume": 138.0728932256281,
"volume_molar": 8.314943981451828,
"formula_full": "Y2 W2 N6",
"formula_reduced": "YWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.36016904,
"spacegroup": 63
},
{
"id": "jvasp-11722",
"created_at": "2022-09-04T14:38:07.655732Z",
"updated_at": "2022-09-04T14:38:07.655760Z",
"structure_string": "V2 Fe2 O8\n1.0\n4.940879 -0.030586 -0.000000\n-1.842384 4.584631 0.000000\n-0.000000 -0.000000 5.817149\nV Fe O\n2 2 8\ndirect\n0.645194 0.354805 0.250000 V\n0.354806 0.645193 0.750000 V\n0.000000 0.000000 0.500001 Fe\n0.000000 0.000000 0.000000 Fe\n0.755258 0.788813 0.750000 O\n0.244741 0.211187 0.250000 O\n0.788816 0.755258 0.250000 O\n0.211186 0.244742 0.750000 O\n0.228402 0.771601 0.977541 O\n0.771600 0.228399 0.477542 O\n0.228402 0.771601 0.522458 O\n0.771600 0.228399 0.022459 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"Fe",
"O"
],
"chemical_system": "Fe-O-V",
"density": 4.315086109530848,
"density_atomic": 0.09129440955719803,
"volume": 131.44287868450178,
"volume_molar": 6.596395977813945,
"formula_full": "V2 Fe2 O8",
"formula_reduced": "VFeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.894855616666667,
"spacegroup": 63
},
{
"id": "jvasp-37087",
"created_at": "2022-09-04T14:38:09.141175Z",
"updated_at": "2022-09-04T14:38:09.141202Z",
"structure_string": "Sm2 Ga2\n1.0\n0.000000 0.000000 4.118811\n4.406815 -0.000000 0.000000\n-2.203407 5.529296 -0.000000\nSm Ga\n2 2\ndirect\n0.250000 0.140178 0.280357 Sm\n0.750000 0.859821 0.719644 Sm\n0.250000 0.425601 0.851204 Ga\n0.750000 0.574397 0.148796 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Ga"
],
"chemical_system": "Ga-Sm",
"density": 7.282811476243708,
"density_atomic": 0.03985597783894206,
"volume": 100.3613564861962,
"volume_molar": 15.109755390610314,
"formula_full": "Sm2 Ga2",
"formula_reduced": "SmGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.1135279583333334,
"spacegroup": 63
},
{
"id": "jvasp-9918",
"created_at": "2022-09-04T14:38:08.032412Z",
"updated_at": "2022-09-04T14:38:08.032430Z",
"structure_string": "Zn2 Sb4 O8\n1.0\n3.379191 -0.000000 -0.000000\n-1.689595 5.041301 -0.000000\n0.000000 0.000000 14.585931\nZn Sb O\n2 4 8\ndirect\n0.417395 0.834792 0.750000 Zn\n0.582603 0.165208 0.250000 Zn\n0.862783 0.725569 0.062703 Sb\n0.137215 0.274431 0.937297 Sb\n0.862783 0.725569 0.437297 Sb\n0.137215 0.274431 0.562703 Sb\n0.220476 0.440953 0.434028 O\n0.779522 0.559047 0.565972 O\n0.779522 0.559047 0.934028 O\n0.220476 0.440953 0.065972 O\n0.034708 0.069417 0.250000 O\n-0.034708 -0.069417 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"O"
],
"chemical_system": "O-Sb-Zn",
"density": 4.984400508732156,
"density_atomic": 0.05634281125219189,
"volume": 248.47890420901498,
"volume_molar": 10.688392407408893,
"formula_full": "Zn2 Sb4 O8",
"formula_reduced": "Zn(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6797837999999998,
"spacegroup": 63
},
{
"id": "jvasp-36965",
"created_at": "2022-09-04T14:38:08.045428Z",
"updated_at": "2022-09-04T14:38:08.045452Z",
"structure_string": "Rb2 Pb2 Cl6\n1.0\n0.000000 4.270273 0.000054\n10.786260 0.000000 0.000000\n0.000000 -2.134149 -6.840926\nRb Pb Cl\n2 2 6\ndirect\n0.749216 0.009544 0.498446 Rb\n0.250784 0.509544 0.501555 Rb\n-0.000005 0.759540 -0.000012 Pb\n0.000005 0.259540 0.000012 Pb\n0.640633 0.706727 0.281230 Cl\n0.359367 0.206727 0.718771 Cl\n0.640645 0.312351 0.281255 Cl\n0.359355 0.812351 0.718746 Cl\n0.069369 0.009539 0.138803 Cl\n0.930631 0.509539 0.861198 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Cl"
],
"chemical_system": "Cl-Pb-Rb",
"density": 4.205730636449858,
"density_atomic": 0.0317365925046865,
"volume": 315.0936887292898,
"volume_molar": 18.975385461154087,
"formula_full": "Rb2 Pb2 Cl6",
"formula_reduced": "RbPbCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-14516",
"created_at": "2022-09-04T14:38:08.174653Z",
"updated_at": "2022-09-04T14:38:08.174681Z",
"structure_string": "Ca2 Ge2\n1.0\n4.021019 -0.000000 -0.000000\n-0.000000 4.180365 -1.760946\n0.000000 0.006596 5.858083\nCa Ge\n2 2\ndirect\n0.750000 0.363730 0.727457 Ca\n0.250000 0.636270 0.272542 Ca\n0.750000 0.077908 0.155816 Ge\n0.250000 0.922092 0.844183 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge",
"density": 3.7997986115902074,
"density_atomic": 0.040602072617606136,
"volume": 98.51713821785279,
"volume_molar": 14.832101840507127,
"formula_full": "Ca2 Ge2",
"formula_reduced": "CaGe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-39464",
"created_at": "2022-09-04T14:38:08.235976Z",
"updated_at": "2022-09-04T14:38:08.236003Z",
"structure_string": "Ho2 Ni2 Ge4\n1.0\n2.024710 8.360345 0.000000\n-2.024710 8.360345 0.000000\n0.000000 0.000000 4.198606\nHo Ni Ge\n2 2 4\ndirect\n0.891905 0.891905 0.750001 Ho\n0.108094 0.108094 0.250000 Ho\n0.677231 0.677231 0.750001 Ni\n0.322769 0.322769 0.250000 Ni\n0.747532 0.747532 0.250000 Ge\n0.540470 0.540470 0.750001 Ge\n0.459530 0.459530 0.250000 Ge\n0.252468 0.252468 0.750001 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ho",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ho-Ni",
"density": 8.619260025698003,
"density_atomic": 0.05628178229239036,
"volume": 142.14190940931962,
"volume_molar": 10.699982329476141,
"formula_full": "Ho2 Ni2 Ge4",
"formula_reduced": "HoNiGe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8384124666666666,
"spacegroup": 63
},
{
"id": "jvasp-37128",
"created_at": "2022-09-04T14:38:08.443148Z",
"updated_at": "2022-09-04T14:38:08.443178Z",
"structure_string": "Pr2 Rh2\n1.0\n-3.991694 -0.000000 -0.000000\n-0.000000 0.000000 -4.239561\n-1.995848 -5.542256 0.000000\nPr Rh\n2 2\ndirect\n0.141230 0.750000 0.717540 Pr\n0.858769 0.250000 0.282461 Pr\n0.414607 0.750000 0.170785 Rh\n0.585392 0.250000 0.829216 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Rh"
],
"chemical_system": "Pr-Rh",
"density": 8.63319412972954,
"density_atomic": 0.04264766709720434,
"volume": 93.79176569923585,
"volume_molar": 14.120680379243453,
"formula_full": "Pr2 Rh2",
"formula_reduced": "PrRh",
"formula_anonymous": "AB",
"energy_above_hull": 1.174051425,
"spacegroup": 63
},
{
"id": "jvasp-52530",
"created_at": "2022-09-04T14:38:08.391716Z",
"updated_at": "2022-09-04T14:38:08.391734Z",
"structure_string": "Lu6 Ta2 O14\n1.0\n5.177823 3.602651 -0.000000\n-5.177823 3.602651 -0.000000\n0.000000 0.000000 7.358315\nLu Ta O\n6 2 14\ndirect\n0.054916 0.515332 0.250000 Lu\n0.484667 0.945084 0.750000 Lu\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.945084 0.484667 0.750000 Lu\n0.515332 0.054916 0.250000 Lu\n0.500000 0.500000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.827686 0.565087 0.461590 O\n0.434913 0.172314 0.961590 O\n0.434913 0.172314 0.538409 O\n0.827686 0.565087 0.038410 O\n0.409123 0.409123 0.250000 O\n0.590877 0.590877 0.750000 O\n0.565087 0.827686 0.038410 O\n0.172314 0.434913 0.961590 O\n0.565087 0.827686 0.461590 O\n0.845332 0.111937 0.750000 O\n0.111937 0.845332 0.750000 O\n0.154668 0.888062 0.250000 O\n0.172314 0.434913 0.538409 O\n0.888062 0.154668 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Lu",
"Ta",
"O"
],
"chemical_system": "Lu-O-Ta",
"density": 9.894005830143245,
"density_atomic": 0.08013918411864132,
"volume": 274.52238554650495,
"volume_molar": 7.514602034236557,
"formula_full": "Lu6 Ta2 O14",
"formula_reduced": "Lu3TaO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.701727359090909,
"spacegroup": 63
}
]
}