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=664",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=662",
"results": [
{
"id": "jvasp-58376",
"created_at": "2022-09-04T14:37:27.479662Z",
"updated_at": "2022-09-04T14:37:27.479683Z",
"structure_string": "Zn6 As4\n1.0\n5.956945 0.000000 0.000000\n0.000000 5.956945 0.000000\n0.000000 0.000000 5.956945\nZn As\n6 4\ndirect\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.250000 0.250000 0.250000 As\n0.750001 0.250000 0.750001 As\n0.750001 0.750001 0.250000 As\n0.250000 0.750001 0.750001 As\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zn",
"As"
],
"chemical_system": "As-Zn",
"density": 5.437165169379646,
"density_atomic": 0.04730741623619844,
"volume": 211.3833473819746,
"volume_molar": 12.729802722542287,
"formula_full": "Zn6 As4",
"formula_reduced": "Zn3As2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0,
"spacegroup": 224
},
{
"id": "jvasp-52136",
"created_at": "2022-09-04T14:37:19.210053Z",
"updated_at": "2022-09-04T14:37:19.210068Z",
"structure_string": "Pu4 O6\n1.0\n5.381164 -0.000000 -0.000000\n-0.000000 5.381164 -0.000000\n0.000000 0.000000 5.381164\nPu O\n4 6\ndirect\n0.749999 0.250000 0.250000 Pu\n0.250000 0.250000 0.749999 Pu\n0.250000 0.749999 0.250000 Pu\n0.749999 0.749999 0.749999 Pu\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pu",
"O"
],
"chemical_system": "O-Pu",
"density": 11.423882829648496,
"density_atomic": 0.06417580362178908,
"volume": 155.82196771439854,
"volume_molar": 9.383818230762834,
"formula_full": "Pu4 O6",
"formula_reduced": "Pu2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.283826100000001,
"spacegroup": 224
},
{
"id": "jvasp-52132",
"created_at": "2022-09-04T14:37:17.821102Z",
"updated_at": "2022-09-04T14:37:17.821124Z",
"structure_string": "Tb4 O6\n1.0\n5.368454 0.000000 0.000000\n-0.000000 5.368454 -0.000000\n0.000000 -0.000000 5.368205\nTb O\n4 6\ndirect\n0.250000 0.749999 0.749999 Tb\n0.749999 0.749999 0.250000 Tb\n0.250000 0.250000 0.250000 Tb\n0.749999 0.250000 0.749999 Tb\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Tb",
"O"
],
"chemical_system": "O-Tb",
"density": 7.853319784174081,
"density_atomic": 0.06463569685453867,
"volume": 154.71326970458443,
"volume_molar": 9.31705087600851,
"formula_full": "Tb4 O6",
"formula_reduced": "Tb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.48497146,
"spacegroup": 224
},
{
"id": "jvasp-93786",
"created_at": "2022-09-04T14:35:52.875608Z",
"updated_at": "2022-09-04T14:35:52.875635Z",
"structure_string": "Ti4 H2\n1.0\n4.224515 0.000000 0.000000\n0.000000 4.224515 -0.000000\n-0.000000 0.000000 4.224515\nTi H\n4 2\ndirect\n0.499999 0.000000 0.499999 Ti\n0.000000 0.499999 0.499999 Ti\n0.499999 0.499999 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 H\n0.749999 0.749999 0.749999 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 4.261508076113118,
"density_atomic": 0.07958306860426423,
"volume": 75.3929209469878,
"volume_molar": 7.567113037505218,
"formula_full": "Ti4 H2",
"formula_reduced": "Ti2H",
"formula_anonymous": "AB2",
"energy_above_hull": 2.959985555555555,
"spacegroup": 224
},
{
"id": "jvasp-88784",
"created_at": "2022-09-04T14:36:07.474589Z",
"updated_at": "2022-09-04T14:36:07.474614Z",
"structure_string": "Ho4 Al12 Pb8 O32\n1.0\n9.499636 0.000000 -0.000000\n-0.000000 9.499636 0.000000\n0.000000 0.000000 9.499636\nHo Al Pb O\n4 12 8 32\ndirect\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.750000 0.500000 0.250000 Al\n0.750000 0.250000 0.500000 Al\n0.000000 0.750000 0.250000 Al\n0.500000 0.750000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.250000 0.000000 0.750000 Al\n0.750000 0.250000 0.000000 Al\n0.250000 0.750000 0.000000 Al\n0.750000 0.000000 0.250000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.250000 0.750000 Al\n0.000000 0.250000 0.750000 Al\n0.384581 0.384581 0.384581 Pb\n0.615419 0.615419 0.615419 Pb\n0.115419 0.384581 0.115419 Pb\n0.384581 0.115419 0.115419 Pb\n0.115419 0.115419 0.384581 Pb\n0.615419 0.884581 0.884581 Pb\n0.884581 0.884581 0.615419 Pb\n0.884581 0.615419 0.884581 Pb\n0.136861 0.136861 0.136861 O\n0.636861 0.863140 0.636861 O\n0.863140 0.636861 0.636861 O\n0.636861 0.636861 0.863140 O\n0.765001 0.409862 0.409862 O\n0.363140 0.136861 0.363140 O\n0.765001 0.090138 0.090138 O\n0.409862 0.409862 0.765001 O\n0.090138 0.409862 0.735000 O\n0.409862 0.765001 0.409862 O\n0.090138 0.735000 0.409862 O\n0.265001 0.909862 0.590138 O\n0.265001 0.590138 0.909862 O\n0.234999 0.909862 0.909862 O\n0.590138 0.909862 0.265001 O\n0.909862 0.234999 0.909862 O\n0.909862 0.265001 0.590138 O\n0.363140 0.363140 0.136861 O\n0.909862 0.590138 0.265001 O\n0.909862 0.909862 0.234999 O\n0.590138 0.590138 0.234999 O\n0.590138 0.234999 0.590138 O\n0.090138 0.765001 0.090138 O\n0.409862 0.735000 0.090138 O\n0.409862 0.090138 0.735000 O\n0.090138 0.090138 0.765001 O\n0.735000 0.090138 0.409862 O\n0.735000 0.409862 0.090138 O\n0.234999 0.590138 0.590138 O\n0.863140 0.863140 0.863140 O\n0.590138 0.265001 0.909862 O\n0.136861 0.363140 0.363140 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ho",
"Al",
"Pb",
"O"
],
"chemical_system": "Al-Ho-O-Pb",
"density": 6.107497082627189,
"density_atomic": 0.06532315211657044,
"volume": 857.2764507760879,
"volume_molar": 9.218999030012167,
"formula_full": "Ho4 Al12 Pb8 O32",
"formula_reduced": "HoAl3(PbO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.116383114761905,
"spacegroup": 224
},
{
"id": "jvasp-93756",
"created_at": "2022-09-04T14:36:22.274047Z",
"updated_at": "2022-09-04T14:36:22.274065Z",
"structure_string": "Cd2 B4\n1.0\n5.019594 0.000000 -0.000000\n-0.000000 5.019594 0.000000\n0.000000 -0.000000 5.019594\nCd B\n2 4\ndirect\n0.749999 0.749999 0.749999 Cd\n0.250000 0.250000 0.250000 Cd\n0.000000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.500000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cd",
"B"
],
"chemical_system": "B-Cd",
"density": 3.519533124047743,
"density_atomic": 0.047440086896113565,
"volume": 126.47531639516322,
"volume_molar": 12.694202633286812,
"formula_full": "Cd2 B4",
"formula_reduced": "CdB2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.904301638888889,
"spacegroup": 224
},
{
"id": "jvasp-14673",
"created_at": "2022-09-04T14:36:33.627682Z",
"updated_at": "2022-09-04T14:36:33.627693Z",
"structure_string": "Ag4 O2\n1.0\n4.773072 -0.000000 -0.000000\n-0.000000 4.773072 0.000000\n-0.000000 0.000000 4.773072\nAg O\n4 2\ndirect\n0.750000 0.750000 0.250000 Ag\n0.250000 0.750000 0.750000 Ag\n0.750000 0.250000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 7.07747376009234,
"density_atomic": 0.05517689958549129,
"volume": 108.74115880149407,
"volume_molar": 10.91424274513517,
"formula_full": "Ag4 O2",
"formula_reduced": "Ag2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4967326733333335,
"spacegroup": 224
},
{
"id": "jvasp-28392",
"created_at": "2022-09-04T14:36:55.989638Z",
"updated_at": "2022-09-04T14:36:55.989668Z",
"structure_string": "Si2 O4\n1.0\n3.809107 -0.000077 -0.000032\n0.000046 3.808720 -0.000089\n0.000020 0.000190 3.808749\nSi O\n2 4\ndirect\n0.809347 0.111254 0.918329 Si\n0.309358 0.611254 0.418326 Si\n0.559358 0.861255 0.668319 O\n0.059351 0.861267 0.168346 O\n0.559351 0.361248 0.168333 O\n0.059353 0.361260 0.668328 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 3.611233132226314,
"density_atomic": 0.10858421041915098,
"volume": 55.25665266468412,
"volume_molar": 5.546055671219282,
"formula_full": "Si2 O4",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4859418666666668,
"spacegroup": 224
},
{
"id": "jvasp-1216",
"created_at": "2022-09-04T14:36:56.098029Z",
"updated_at": "2022-09-04T14:36:56.098050Z",
"structure_string": "Cu4 O2\n1.0\n4.297460 0.000000 0.000000\n0.000000 4.297460 0.000000\n0.000000 0.000000 4.297460\nCu O\n4 2\ndirect\n0.250000 0.250000 0.750000 Cu\n0.750000 0.250000 0.250000 Cu\n0.250000 0.750000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"O"
],
"chemical_system": "Cu-O",
"density": 5.987659520082375,
"density_atomic": 0.07559894263111097,
"volume": 79.36618940925294,
"volume_molar": 7.965906070122375,
"formula_full": "Cu4 O2",
"formula_reduced": "Cu2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3893183749999999,
"spacegroup": 224
},
{
"id": "jvasp-2130",
"created_at": "2022-09-04T14:36:56.870678Z",
"updated_at": "2022-09-04T14:36:56.870707Z",
"structure_string": "Au4 S2\n1.0\n5.300446 0.000000 0.000000\n0.000000 5.300446 0.000000\n0.000000 0.000000 5.300446\nAu S\n4 2\ndirect\n0.250000 0.250000 0.750001 Au\n0.750001 0.250000 0.250000 Au\n0.250000 0.750001 0.250000 Au\n0.750001 0.750001 0.750001 Au\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Au",
"S"
],
"chemical_system": "Au-S",
"density": 9.500567566012053,
"density_atomic": 0.04029155301297611,
"volume": 148.91458758285313,
"volume_molar": 14.946410127354829,
"formula_full": "Au4 S2",
"formula_reduced": "Au2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.79920838,
"spacegroup": 224
},
{
"id": "jvasp-7673",
"created_at": "2022-09-04T14:36:58.110997Z",
"updated_at": "2022-09-04T14:36:58.111022Z",
"structure_string": "Pd4 O2\n1.0\n4.506338 0.000000 -0.000000\n0.000000 4.506338 0.000000\n0.000000 -0.000000 4.506338\nPd O\n4 2\ndirect\n0.750000 0.750000 0.250000 Pd\n0.250000 0.750000 0.750000 Pd\n0.750000 0.250000 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pd",
"O"
],
"chemical_system": "O-Pd",
"density": 8.304980256220137,
"density_atomic": 0.06556619200530445,
"volume": 91.51057605289304,
"volume_molar": 9.184826166986786,
"formula_full": "Pd4 O2",
"formula_reduced": "Pd2O",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6174583000000005,
"spacegroup": 224
},
{
"id": "jvasp-13086",
"created_at": "2022-09-04T14:37:01.787516Z",
"updated_at": "2022-09-04T14:37:01.787542Z",
"structure_string": "Si2 C4 N8\n1.0\n6.686863 -0.000000 0.000000\n-0.000000 6.686863 0.000000\n0.000000 0.000000 6.686863\nSi C N\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.250000 0.750000 0.750000 C\n0.750000 0.750000 0.250000 C\n0.250000 0.250000 0.250000 C\n0.750000 0.250000 0.750000 C\n0.645734 0.354266 0.645734 N\n0.145734 0.145734 0.145734 N\n0.354266 0.354266 0.354266 N\n0.854265 0.145734 0.854265 N\n0.854265 0.854265 0.145734 N\n0.145734 0.854265 0.854265 N\n0.645734 0.645734 0.354266 N\n0.354266 0.645734 0.645734 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Si",
"C",
"N"
],
"chemical_system": "C-N-Si",
"density": 1.201082612937018,
"density_atomic": 0.046823164225365865,
"volume": 298.9973068162633,
"volume_molar": 12.861456203631748,
"formula_full": "Si2 C4 N8",
"formula_reduced": "Si(CN2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 5.81612737142857,
"spacegroup": 224
}
]
}