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=id&page=4022",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4020",
"results": [
{
"id": "jvasp-8251",
"created_at": "2022-09-04T14:37:06.238670Z",
"updated_at": "2022-09-04T14:37:06.238686Z",
"structure_string": "Mg1 Cr1 F6\n1.0\n4.435646 0.042808 2.901300\n1.590998 4.140714 2.901300\n0.061667 0.042808 5.299877\nMg Cr F\n1 1 6\ndirect\n0.500001 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cr\n0.360943 0.116720 0.762236 F\n0.116721 0.762236 0.360942 F\n0.237765 0.639058 0.883280 F\n0.883281 0.237764 0.639058 F\n0.639059 0.883280 0.237763 F\n0.762237 0.360942 0.116719 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"F"
],
"chemical_system": "Cr-F-Mg",
"density": 3.295163334283795,
"density_atomic": 0.08342542018280588,
"volume": 95.89403304736143,
"volume_molar": 7.218592063191278,
"formula_full": "Mg1 Cr1 F6",
"formula_reduced": "MgCrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.066783518125,
"spacegroup": 148
},
{
"id": "jvasp-8252",
"created_at": "2022-09-04T14:37:01.504693Z",
"updated_at": "2022-09-04T14:37:01.504720Z",
"structure_string": "Zn1 Cr1 F6\n1.0\n5.330498 0.060956 0.042027\n2.992543 4.411644 0.042026\n2.992543 1.608120 4.108323\nZn Cr F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500001 Cr\n0.124906 0.403946 0.733697 F\n0.403945 0.733696 0.124907 F\n0.733696 0.124907 0.403946 F\n0.266302 0.875093 0.596055 F\n0.596053 0.266303 0.875094 F\n0.875093 0.596054 0.266304 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Cr",
"F"
],
"chemical_system": "Cr-F-Zn",
"density": 4.037938036971828,
"density_atomic": 0.08407088030494889,
"volume": 95.15779983487427,
"volume_molar": 7.16317081271897,
"formula_full": "Zn1 Cr1 F6",
"formula_reduced": "ZnCrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0243249368749999,
"spacegroup": 148
},
{
"id": "jvasp-8253",
"created_at": "2022-09-04T14:37:05.236408Z",
"updated_at": "2022-09-04T14:37:05.236435Z",
"structure_string": "Co2 O4\n1.0\n2.788154 -0.000917 0.449545\n-1.357979 -2.434293 -0.454150\n-1.403412 -0.808674 -8.972308\nCo O\n2 4\ndirect\n-0.001265 0.997525 0.497888 Co\n0.000740 0.998031 -0.002043 Co\n0.404159 0.592027 0.606466 O\n0.262003 0.736865 0.889391 O\n0.593325 0.403027 0.389315 O\n0.739469 0.259192 0.106525 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 5.132326518219503,
"density_atomic": 0.1019693653361929,
"volume": 58.841201768962726,
"volume_molar": 5.905833325670908,
"formula_full": "Co2 O4",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.070142633333334,
"spacegroup": 166
},
{
"id": "jvasp-8254",
"created_at": "2022-09-04T14:37:07.746504Z",
"updated_at": "2022-09-04T14:37:07.746532Z",
"structure_string": "V2 O4\n1.0\n2.890198 -0.000852 0.385257\n-1.415376 -2.504724 -0.412416\n-1.590738 -0.803053 -9.462226\nV O\n2 4\ndirect\n-0.022779 -0.004313 0.497952 V\n-0.017519 -0.001757 0.997899 V\n0.411092 0.592980 0.606554 O\n0.273603 0.734537 0.889161 O\n0.604417 0.401290 0.389310 O\n0.749615 0.263928 0.106668 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 4.1449291652105025,
"density_atomic": 0.09028667685703952,
"volume": 66.45498769990657,
"volume_molar": 6.670021502215099,
"formula_full": "V2 O4",
"formula_reduced": "VO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9324804000000009,
"spacegroup": 5
},
{
"id": "jvasp-8255",
"created_at": "2022-09-04T14:37:08.073511Z",
"updated_at": "2022-09-04T14:37:08.073539Z",
"structure_string": "Ni1 S2\n1.0\n5.710947 -0.595870 -0.352922\n5.058579 2.716755 -0.352922\n5.058579 0.996206 2.552035\nNi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.594682 0.594685 0.594683 S\n0.405316 0.405318 0.405317 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 3.8171104960453786,
"density_atomic": 0.056146898827754095,
"volume": 53.431268024318086,
"volume_molar": 10.725687234257688,
"formula_full": "Ni1 S2",
"formula_reduced": "NiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.335204133333333,
"spacegroup": 166
},
{
"id": "jvasp-8256",
"created_at": "2022-09-04T14:37:08.276198Z",
"updated_at": "2022-09-04T14:37:08.276228Z",
"structure_string": "Ti1 O2\n1.0\n5.178961 -0.504952 -0.299073\n4.600789 2.430916 -0.299073\n4.600789 0.906052 2.275493\nTi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.601148 0.601149 0.601149 O\n0.398851 0.398852 0.398852 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.478080626525555,
"density_atomic": 0.07867757330974283,
"volume": 38.130306690947506,
"volume_molar": 7.654202470495189,
"formula_full": "Ti1 O2",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5370651111111115,
"spacegroup": 166
},
{
"id": "jvasp-8257",
"created_at": "2022-09-04T14:37:08.373295Z",
"updated_at": "2022-09-04T14:37:08.373317Z",
"structure_string": "Sn1 O2\n1.0\n2.808128 -0.192887 3.686912\n1.105961 2.588366 3.686912\n-0.315166 -0.192887 4.623805\nSn O\n1 2\ndirect\n0.500002 0.499998 0.500000 Sn\n0.756086 0.756083 0.756084 O\n0.243916 0.243913 0.243914 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sn",
"O"
],
"chemical_system": "O-Sn",
"density": 6.410847318790896,
"density_atomic": 0.07685090377861638,
"volume": 39.036626148757726,
"volume_molar": 7.8361352487771905,
"formula_full": "Sn1 O2",
"formula_reduced": "SnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0149562333333335,
"spacegroup": 166
},
{
"id": "jvasp-8258",
"created_at": "2022-09-04T14:37:05.282996Z",
"updated_at": "2022-09-04T14:37:05.283017Z",
"structure_string": "Y1 Cu1 O3\n1.0\n3.773334 0.000000 0.000000\n0.000000 3.773334 0.000000\n0.000000 -0.000000 3.773257\nY Cu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.499999 0.499999 0.500000 Cu\n0.499999 0.000000 0.500000 O\n0.000000 0.499999 0.500000 O\n0.499999 0.499999 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Cu",
"O"
],
"chemical_system": "Cu-O-Y",
"density": 6.195671489040584,
"density_atomic": 0.09306858696871152,
"volume": 53.72381984998801,
"volume_molar": 6.470648106030199,
"formula_full": "Y1 Cu1 O3",
"formula_reduced": "YCuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.66088328,
"spacegroup": 221
},
{
"id": "jvasp-8259",
"created_at": "2022-09-04T14:37:05.392310Z",
"updated_at": "2022-09-04T14:37:05.392343Z",
"structure_string": "Al2 Cu2 O4\n1.0\n1.437927 -2.490561 -0.000000\n1.437927 2.490561 -0.000000\n-0.000000 -0.000000 11.397503\nAl Cu O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.666668 0.333334 0.750000 Cu\n0.333334 0.666668 0.250000 Cu\n0.333334 0.666668 0.415016 O\n0.666668 0.333334 0.915016 O\n0.333334 0.666668 0.084984 O\n0.666668 0.333334 0.584984 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Cu-O",
"density": 4.98465168690132,
"density_atomic": 0.09799778382821886,
"volume": 81.63449914360581,
"volume_molar": 6.14518055893617,
"formula_full": "Al2 Cu2 O4",
"formula_reduced": "AlCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9424300625000002,
"spacegroup": 194
},
{
"id": "jvasp-8260",
"created_at": "2022-09-04T14:36:49.906641Z",
"updated_at": "2022-09-04T14:36:49.906659Z",
"structure_string": "Y1 V1 O3\n1.0\n3.811734 0.000000 0.000000\n0.000000 3.811734 -0.000000\n0.000000 -0.000000 3.812460\nY V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.499999 0.499999 0.500000 V\n0.000000 0.499999 0.500000 O\n0.499999 0.000000 0.500000 O\n0.499999 0.499999 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"V",
"O"
],
"chemical_system": "O-V-Y",
"density": 5.631181700761467,
"density_atomic": 0.0902650311887637,
"volume": 55.39243640811378,
"volume_molar": 6.6716209817802,
"formula_full": "Y1 V1 O3",
"formula_reduced": "YVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.50434203,
"spacegroup": 221
},
{
"id": "jvasp-8261",
"created_at": "2022-09-04T14:37:09.178741Z",
"updated_at": "2022-09-04T14:37:09.178769Z",
"structure_string": "Ca3 Fe2 N4\n1.0\n4.828606 0.000638 -0.006284\n-0.000790 5.893702 -0.020202\n-2.407214 -2.929145 5.104746\nCa Fe N\n3 2 4\ndirect\n0.305394 0.333613 0.612511 Ca\n0.682248 0.710438 0.366243 Ca\n0.993812 0.287520 0.989363 Ca\n0.609439 0.117393 0.220629 Fe\n0.378171 0.886121 0.758092 Fe\n0.774309 0.221483 0.550348 N\n0.213329 0.660431 0.428394 N\n0.493824 0.781309 0.989389 N\n0.493797 0.239477 0.989332 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"N"
],
"chemical_system": "Ca-Fe-N",
"density": 3.2999352566417124,
"density_atomic": 0.06211271911425709,
"volume": 144.8978587371838,
"volume_molar": 9.695503345976853,
"formula_full": "Ca3 Fe2 N4",
"formula_reduced": "Ca3(FeN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.355933917777778,
"spacegroup": 44
},
{
"id": "jvasp-8263",
"created_at": "2022-09-04T14:36:51.393076Z",
"updated_at": "2022-09-04T14:36:51.393087Z",
"structure_string": "Mg1 V2 O6\n1.0\n4.852190 0.000000 -2.507283\n0.000904 5.168367 0.001750\n-0.214803 0.002210 5.533018\nMg V O\n1 2 6\ndirect\n0.437760 0.513062 0.875519 Mg\n0.936874 0.013140 0.873748 V\n0.061122 0.512937 0.122247 V\n0.219944 0.269899 0.992685 O\n0.772645 0.756125 0.992512 O\n0.772742 0.269899 0.992685 O\n0.219867 0.756125 0.992512 O\n0.770094 0.013525 0.540187 O\n0.233572 0.512822 0.467145 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 2.713377931537966,
"density_atomic": 0.06618965804980698,
"volume": 135.97290370087123,
"volume_molar": 9.098310729250793,
"formula_full": "Mg1 V2 O6",
"formula_reduced": "MgV2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.6534653833333337,
"spacegroup": 38
}
]
}