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=865",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=863",
"results": [
{
"id": "jvasp-92798",
"created_at": "2022-09-04T14:36:30.906050Z",
"updated_at": "2022-09-04T14:36:30.906072Z",
"structure_string": "Ca1 Cu2 Ge2\n1.0\n3.891167 0.000000 -1.459173\n-0.547184 3.852502 -1.459173\n-0.004032 -0.004645 5.907110\nCa Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750001 0.250001 0.500001 Cu\n0.250001 0.750000 0.500001 Cu\n0.378054 0.378054 0.756108 Ge\n0.621948 0.621947 0.243894 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"Ge"
],
"chemical_system": "Ca-Cu-Ge",
"density": 5.862604558443993,
"density_atomic": 0.05649772744978105,
"volume": 88.49913484474811,
"volume_molar": 10.65908494346588,
"formula_full": "Ca1 Cu2 Ge2",
"formula_reduced": "Ca(CuGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-51583",
"created_at": "2022-09-04T14:36:30.978564Z",
"updated_at": "2022-09-04T14:36:30.978590Z",
"structure_string": "Fe2 Ni4 O8\n1.0\n5.023169 -0.000000 2.900129\n1.674390 4.735889 2.900129\n-0.000000 -0.000000 5.800256\nFe Ni O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Fe\n0.875000 0.875000 0.875001 Fe\n0.500000 0.500000 0.000000 Ni\n-0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.275379 0.741540 0.741541 O\n0.258460 0.724622 0.258460 O\n0.724622 0.258460 0.258460 O\n0.258460 0.258460 0.258460 O\n0.258460 0.258460 0.724622 O\n0.741540 0.275379 0.741541 O\n0.741540 0.741540 0.275379 O\n0.741540 0.741540 0.741541 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Ni-O",
"density": 5.70980316364546,
"density_atomic": 0.10146156784392808,
"volume": 137.98328073872577,
"volume_molar": 5.935390993822881,
"formula_full": "Fe2 Ni4 O8",
"formula_reduced": "Fe(NiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.3048220428571424,
"spacegroup": 227
},
{
"id": "jvasp-106117",
"created_at": "2022-09-04T14:36:30.796514Z",
"updated_at": "2022-09-04T14:36:30.796550Z",
"structure_string": "Ca1 Yb1 Al4\n1.0\n4.894865 0.000000 2.826051\n1.631621 4.614924 2.826051\n0.000000 0.000000 5.652104\nYb Ca Al\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Ca\n0.625149 0.625150 0.124551 Al\n0.625149 0.124551 0.625150 Al\n0.124551 0.625150 0.625150 Al\n0.625149 0.625150 0.625150 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Ca",
"Al"
],
"chemical_system": "Al-Ca-Yb",
"density": 4.175403471222271,
"density_atomic": 0.046993288177152974,
"volume": 127.67780746436591,
"volume_molar": 12.81489547464317,
"formula_full": "Ca1 Yb1 Al4",
"formula_reduced": "CaYbAl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9560420533333334,
"spacegroup": 216
},
{
"id": "jvasp-104780",
"created_at": "2022-09-04T14:36:30.811022Z",
"updated_at": "2022-09-04T14:36:30.811046Z",
"structure_string": "Ba2 Cd1 N2\n1.0\n4.020899 0.000000 -1.173744\n-0.342557 4.006289 -1.173499\n0.021261 0.022757 7.546910\nBa Cd N\n2 1 2\ndirect\n0.840042 0.840043 0.180084 Ba\n0.159957 0.159958 0.819917 Ba\n0.500000 0.500000 0.500000 Cd\n0.350559 0.350559 0.201118 N\n0.649440 0.649441 0.798882 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"N"
],
"chemical_system": "Ba-Cd-N",
"density": 5.65941942671283,
"density_atomic": 0.041054678368377055,
"volume": 121.78879968650104,
"volume_molar": 14.668585894071065,
"formula_full": "Ba2 Cd1 N2",
"formula_reduced": "Ba2CdN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.597227638,
"spacegroup": 139
},
{
"id": "jvasp-94854",
"created_at": "2022-09-04T14:36:30.812746Z",
"updated_at": "2022-09-04T14:36:30.812766Z",
"structure_string": "V2 Co1 S4\n1.0\n0.000000 3.244027 0.000000\n0.034069 0.000000 5.802516\n5.380083 -1.622014 -2.657055\nV Co S\n2 1 4\ndirect\n0.739816 0.689417 0.479630 V\n0.260186 0.310584 0.520369 V\n0.000000 0.000000 0.000000 Co\n0.634417 0.976967 0.268830 S\n0.365585 0.023034 0.731169 S\n0.895468 0.560003 0.790933 S\n0.104534 0.439998 0.209067 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Co",
"S"
],
"chemical_system": "Co-S-V",
"density": 4.726222231293674,
"density_atomic": 0.06892087010073362,
"volume": 101.56575199600519,
"volume_molar": 8.737760784502774,
"formula_full": "V2 Co1 S4",
"formula_reduced": "V2CoS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.060622757142857,
"spacegroup": 12
},
{
"id": "jvasp-58906",
"created_at": "2022-09-04T14:36:30.849801Z",
"updated_at": "2022-09-04T14:36:30.849835Z",
"structure_string": "Sb8 S8 O4\n1.0\n5.880387 -0.056315 0.051978\n-2.787369 7.707376 0.003855\n-2.521502 -3.091135 10.002263\nSb S O\n8 8 4\ndirect\n0.336142 0.355782 0.100549 Sb\n0.663858 0.644218 0.899451 Sb\n0.360849 0.870261 0.134423 Sb\n0.639151 0.129739 0.865577 Sb\n0.982563 0.338448 0.367781 Sb\n0.017438 0.661551 0.632219 Sb\n0.963833 0.832022 0.366433 Sb\n0.036168 0.167978 0.633568 Sb\n0.482593 0.705297 0.304934 S\n0.517408 0.294702 0.695066 S\n0.497981 0.191302 0.298292 S\n0.502019 0.808697 0.701708 S\n0.225152 0.524292 0.912866 S\n0.774659 0.954682 0.087505 S\n0.774848 0.475707 0.087134 S\n0.225342 0.045317 0.912495 S\n0.961171 0.099593 0.430796 O\n0.926425 0.586779 0.428708 O\n0.073576 0.413220 0.571293 O\n0.038830 0.900406 0.569205 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sb",
"S",
"O"
],
"chemical_system": "O-S-Sb",
"density": 4.742560456075023,
"density_atomic": 0.04412238465321339,
"volume": 453.28465714609604,
"volume_molar": 13.648720048410652,
"formula_full": "Sb8 S8 O4",
"formula_reduced": "Sb2S2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.86640114,
"spacegroup": 2
},
{
"id": "jvasp-13094",
"created_at": "2022-09-04T14:36:30.850409Z",
"updated_at": "2022-09-04T14:36:30.850430Z",
"structure_string": "Mg4 H2 O5\n1.0\n1.519999 -2.632716 -0.000000\n1.519999 2.632716 -0.000000\n0.000000 0.000000 12.055698\nMg H O\n4 2 5\ndirect\n0.333333 0.666667 0.899229 Mg\n0.666667 0.333333 0.100771 Mg\n-0.000000 -0.000000 0.696857 Mg\n-0.000000 -0.000000 0.303143 Mg\n0.666667 0.333333 0.472461 H\n0.333333 0.666667 0.527539 H\n0.333333 0.666667 0.201733 O\n0.666667 0.333333 0.798267 O\n0.333333 0.666667 0.608205 O\n0.666667 0.333333 0.391796 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 3.084587610437404,
"density_atomic": 0.114004767771003,
"volume": 96.48719272947669,
"volume_molar": 5.28235869231052,
"formula_full": "Mg4 H2 O5",
"formula_reduced": "Mg4H2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.2926476090909091,
"spacegroup": 164
},
{
"id": "jvasp-45378",
"created_at": "2022-09-04T14:36:30.857887Z",
"updated_at": "2022-09-04T14:36:30.857920Z",
"structure_string": "Ba2 Si8 O18\n1.0\n3.282380 -5.685249 -0.000000\n3.282380 5.685249 0.000000\n0.000000 0.000000 9.464062\nBa Si O\n2 8 18\ndirect\n0.333333 0.666667 0.500000 Ba\n0.333333 0.666667 0.000000 Ba\n0.666667 0.333333 0.000000 Si\n0.787517 0.699125 0.750000 Si\n0.300875 0.088391 0.750000 Si\n0.666667 0.333333 0.500000 Si\n0.787517 0.088391 0.250000 Si\n0.911609 0.699125 0.250000 Si\n0.300875 0.212483 0.250000 Si\n0.911609 0.212483 0.750000 Si\n0.894295 0.337965 0.606887 O\n0.734885 0.811721 0.250000 O\n0.076836 0.265115 0.250000 O\n0.188279 0.923164 0.250000 O\n0.076836 0.811721 0.750000 O\n0.734885 0.923164 0.750000 O\n0.188279 0.265115 0.750000 O\n0.894295 0.337965 0.893112 O\n0.894295 0.556330 0.393112 O\n0.662035 0.105705 0.106887 O\n0.894295 0.556330 0.106887 O\n0.443670 0.337965 0.106887 O\n0.662035 0.556330 0.893112 O\n0.443670 0.337965 0.393112 O\n0.662035 0.556330 0.606887 O\n0.662035 0.105705 0.393112 O\n0.443670 0.105705 0.893112 O\n0.443670 0.105705 0.606887 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Si",
"O"
],
"chemical_system": "Ba-O-Si",
"density": 3.7013353262274573,
"density_atomic": 0.07927059367207759,
"volume": 353.2205159939753,
"volume_molar": 7.596941666555538,
"formula_full": "Ba2 Si8 O18",
"formula_reduced": "BaSi4O9",
"formula_anonymous": "AB4C9",
"energy_above_hull": 2.785339419285714,
"spacegroup": 188
},
{
"id": "jvasp-15402",
"created_at": "2022-09-04T14:36:30.875076Z",
"updated_at": "2022-09-04T14:36:30.875105Z",
"structure_string": "Tb1 Cu2 Ge2\n1.0\n3.821196 -0.000000 -1.400507\n-0.513301 3.786563 -1.400507\n0.001300 0.001488 5.916746\nTb Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.750000 0.500000 Cu\n0.750001 0.250000 0.500000 Cu\n0.619455 0.619454 0.238909 Ge\n0.380546 0.380545 0.761091 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Tb",
"density": 8.364070246758551,
"density_atomic": 0.0583931345392159,
"volume": 85.62650454467519,
"volume_molar": 10.313097263096276,
"formula_full": "Tb1 Cu2 Ge2",
"formula_reduced": "Tb(CuGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3655222399999998,
"spacegroup": 139
},
{
"id": "jvasp-51323",
"created_at": "2022-09-04T14:36:30.888576Z",
"updated_at": "2022-09-04T14:36:30.888587Z",
"structure_string": "B2 Ir1 Cl1\n1.0\n-0.000002 2.880562 2.880565\n2.880570 -0.000008 2.880573\n2.880564 2.880563 -0.000002\nB Ir Cl\n2 1 1\ndirect\n0.750000 0.750001 0.749998 B\n0.250000 0.250001 0.249999 B\n0.500000 0.500001 0.499999 Ir\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"Ir",
"Cl"
],
"chemical_system": "B-Cl-Ir",
"density": 8.659503114299712,
"density_atomic": 0.0836749621873028,
"volume": 47.80402518791908,
"volume_molar": 7.197064214405854,
"formula_full": "B2 Ir1 Cl1",
"formula_reduced": "B2IrCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.888920083541666,
"spacegroup": 225
},
{
"id": "jvasp-94857",
"created_at": "2022-09-04T14:36:30.889729Z",
"updated_at": "2022-09-04T14:36:30.889757Z",
"structure_string": "Rb2 Te1 Se4\n1.0\n-0.014340 0.000000 -5.350807\n-4.922354 -4.310929 -2.464384\n-4.922354 4.310929 -2.464384\nRb Te Se\n2 1 4\ndirect\n0.336659 0.321292 0.321292 Rb\n0.663341 0.678707 0.678707 Rb\n0.000000 0.000000 0.000000 Te\n0.258465 0.325299 0.846594 Se\n0.258465 0.846594 0.325299 Se\n0.741535 0.674700 0.153406 Se\n0.741535 0.153406 0.674700 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Rb",
"Te",
"Se"
],
"chemical_system": "Rb-Se-Te",
"density": 4.49855628220487,
"density_atomic": 0.030866553636419547,
"volume": 226.78268790399318,
"volume_molar": 19.510246692699948,
"formula_full": "Rb2 Te1 Se4",
"formula_reduced": "Rb2TeSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.6522944619047619,
"spacegroup": 12
},
{
"id": "jvasp-93478",
"created_at": "2022-09-04T14:36:30.892930Z",
"updated_at": "2022-09-04T14:36:30.892950Z",
"structure_string": "Cr1 Ir1 O4\n1.0\n-0.000674 3.071603 0.000004\n-4.486282 3.070484 -0.097190\n-0.082257 0.000007 4.486816\nCr Ir O\n1 1 4\ndirect\n0.499959 0.999526 0.000416 Cr\n0.499963 0.499526 0.500417 Ir\n0.189252 0.810238 0.811157 O\n0.199934 0.299538 0.700381 O\n0.810670 0.188813 0.189677 O\n0.799991 0.699513 0.300452 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Ir",
"O"
],
"chemical_system": "Cr-Ir-O",
"density": 8.275602842605196,
"density_atomic": 0.09701839399329194,
"volume": 61.843942710645706,
"volume_molar": 6.207215469281406,
"formula_full": "Cr1 Ir1 O4",
"formula_reduced": "CrIrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.270185416666666,
"spacegroup": 65
}
]
}