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=3487",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=3485",
"results": [
{
"id": "jvasp-12005",
"created_at": "2022-09-04T14:37:00.068285Z",
"updated_at": "2022-09-04T14:37:00.068310Z",
"structure_string": "Sb4 As4 O12\n1.0\n4.538161 -0.010462 0.000000\n-0.481975 5.455757 0.000000\n0.000000 0.000000 13.082490\nSb As O\n4 4 12\ndirect\n0.491477 0.166161 0.854372 Sb\n0.508524 0.833840 0.145628 Sb\n0.991477 0.666161 0.645628 Sb\n0.008524 0.333840 0.354372 Sb\n0.464307 0.233379 0.591321 As\n0.035693 0.266621 0.091321 As\n0.535693 0.766622 0.408679 As\n0.964308 0.733380 0.908679 As\n0.431929 0.053156 0.708057 O\n0.068072 0.446844 0.208057 O\n0.402455 0.538617 0.638540 O\n0.860413 0.321843 0.591461 O\n0.639587 0.178158 0.091461 O\n0.139587 0.678158 0.408539 O\n0.360414 0.821843 0.908539 O\n0.902455 0.038616 0.861460 O\n0.597545 0.461384 0.361460 O\n0.097546 0.961384 0.138540 O\n0.931929 0.553157 0.791943 O\n0.568072 0.946845 0.291943 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sb",
"As",
"O"
],
"chemical_system": "As-O-Sb",
"density": 5.018458458254387,
"density_atomic": 0.06175798583345363,
"volume": 323.844758375624,
"volume_molar": 9.751193596630982,
"formula_full": "Sb4 As4 O12",
"formula_reduced": "SbAsO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1019796699999995,
"spacegroup": 14
},
{
"id": "jvasp-120047",
"created_at": "2022-09-04T14:38:37.491764Z",
"updated_at": "2022-09-04T14:38:37.491796Z",
"structure_string": "H1 C1 Cl1\n1.0\n3.776787 0.000000 -0.000000\n-1.888394 3.270794 0.000000\n-0.000000 0.000000 2.921024\nH C Cl\n1 1 1\ndirect\n0.666666 0.333333 0.000000 H\n0.000000 0.000000 0.000000 C\n0.333333 0.666665 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H",
"density": 2.2306221027531485,
"density_atomic": 0.08314008122969747,
"volume": 36.08367896239685,
"volume_molar": 7.243366461673486,
"formula_full": "H1 C1 Cl1",
"formula_reduced": "HCCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.3694513558333328,
"spacegroup": 187
},
{
"id": "jvasp-120046",
"created_at": "2022-09-04T14:38:52.708249Z",
"updated_at": "2022-09-04T14:38:52.708266Z",
"structure_string": "H1 C1 Cl2\n1.0\n4.466991 0.000000 0.000000\n-0.000000 4.466991 0.000000\n-0.000000 0.000000 4.376756\nH C Cl\n1 1 2\ndirect\n0.500000 0.500000 0.659759 H\n0.000000 0.000000 0.010452 C\n0.000000 0.000000 0.385713 Cl\n0.500000 0.500000 -0.045922 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H",
"density": 1.5957178153722176,
"density_atomic": 0.04580126790288082,
"volume": 87.3338268381956,
"volume_molar": 13.148414958226994,
"formula_full": "H1 C1 Cl2",
"formula_reduced": "HCCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.44102703375,
"spacegroup": 99
},
{
"id": "jvasp-120045",
"created_at": "2022-09-04T14:38:53.426473Z",
"updated_at": "2022-09-04T14:38:53.426503Z",
"structure_string": "H1 C1 Cl1\n1.0\n2.389814 0.000000 0.000000\n0.000000 2.389814 0.000000\n0.000000 0.000000 7.081110\nH C Cl\n1 1 1\ndirect\n0.000000 0.000000 0.059236 H\n0.000000 0.000000 0.216599 C\n0.000000 0.000000 0.681468 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H",
"density": 1.990248331884433,
"density_atomic": 0.07418083402648562,
"volume": 40.441713002699274,
"volume_molar": 8.118189609259243,
"formula_full": "H1 C1 Cl1",
"formula_reduced": "HCCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1072946891666664,
"spacegroup": 99
},
{
"id": "jvasp-120044",
"created_at": "2022-09-04T14:38:37.462859Z",
"updated_at": "2022-09-04T14:38:37.462876Z",
"structure_string": "C1 Cl1 F2\n1.0\n3.624636 0.000000 0.000000\n0.000000 3.624636 0.000000\n0.000000 -0.000000 4.393641\nC Cl F\n1 1 2\ndirect\n0.500001 0.500001 0.353244 C\n0.000000 0.000000 0.260784 Cl\n0.000000 0.000000 0.760956 F\n0.500001 0.500001 0.635014 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"C",
"Cl",
"F"
],
"chemical_system": "C-Cl-F",
"density": 2.4584489355893546,
"density_atomic": 0.06929575388758803,
"volume": 57.72359452916586,
"volume_molar": 8.690490285695068,
"formula_full": "C1 Cl1 F2",
"formula_reduced": "CClF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4832661581249995,
"spacegroup": 99
},
{
"id": "jvasp-120043",
"created_at": "2022-09-04T14:38:53.419500Z",
"updated_at": "2022-09-04T14:38:53.419525Z",
"structure_string": "C1 Cl1 F1\n1.0\n3.975402 0.000000 -0.000000\n-1.987701 3.442799 0.000000\n-0.000000 -0.000000 2.999661\nC Cl F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 C\n0.333332 0.666666 0.000000 Cl\n0.666666 0.333333 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"C",
"Cl",
"F"
],
"chemical_system": "C-Cl-F",
"density": 2.688179601366042,
"density_atomic": 0.07307290248308645,
"volume": 41.05489036369376,
"volume_molar": 8.24127762188438,
"formula_full": "C1 Cl1 F1",
"formula_reduced": "CClF",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3161981166666665,
"spacegroup": 187
},
{
"id": "jvasp-120038",
"created_at": "2022-09-04T14:38:37.409668Z",
"updated_at": "2022-09-04T14:38:37.409693Z",
"structure_string": "Y1 Br2 O1\n1.0\n-2.107694 2.095390 6.146647\n2.107694 -2.095390 6.146647\n2.107694 2.095390 -6.146647\nY Br O\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.660884 0.160883 0.500001 Br\n0.339118 0.839116 0.499998 Br\n0.000000 0.499998 0.499998 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Br",
"O"
],
"chemical_system": "Br-O-Y",
"density": 4.048126614527479,
"density_atomic": 0.03683742811576132,
"volume": 108.58521358847398,
"volume_molar": 16.347886017111374,
"formula_full": "Y1 Br2 O1",
"formula_reduced": "YBr2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8291017900000001,
"spacegroup": 71
},
{
"id": "jvasp-120037",
"created_at": "2022-09-04T14:38:52.902936Z",
"updated_at": "2022-09-04T14:38:52.902971Z",
"structure_string": "Y1 Br1 O1\n1.0\n4.636120 0.000000 0.000000\n-2.318060 4.014997 0.000000\n0.000000 -0.000000 4.235119\nY Br O\n1 1 1\ndirect\n0.666668 0.333334 0.000000 Y\n0.000000 0.000000 0.000000 Br\n0.333334 0.666667 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Br",
"O"
],
"chemical_system": "Br-O-Y",
"density": 3.8928466009073883,
"density_atomic": 0.03805535198457869,
"volume": 78.8325384880345,
"volume_molar": 15.824688108102045,
"formula_full": "Y1 Br1 O1",
"formula_reduced": "YBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1448243516666667,
"spacegroup": 187
},
{
"id": "jvasp-120035",
"created_at": "2022-09-04T14:38:37.351347Z",
"updated_at": "2022-09-04T14:38:37.351366Z",
"structure_string": "W1 Br1 O1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 9.313520\nW Br O\n1 1 1\ndirect\n0.000000 0.000000 0.019031 W\n0.000000 0.000000 0.245861 Br\n0.000000 0.000000 0.803118 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"W",
"Br",
"O"
],
"chemical_system": "Br-O-W",
"density": 1.7811186326618198,
"density_atomic": 0.011502842018637372,
"volume": 260.805111914019,
"volume_molar": 52.353503162459184,
"formula_full": "W1 Br1 O1",
"formula_reduced": "WBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.524895868333333,
"spacegroup": 99
},
{
"id": "jvasp-120032",
"created_at": "2022-09-04T14:38:52.040096Z",
"updated_at": "2022-09-04T14:38:52.040122Z",
"structure_string": "Hf1 Br1 N1\n1.0\n3.405759 -0.000000 0.000000\n-0.000000 3.405759 -0.000000\n-0.000000 -0.000000 6.620372\nHf Br N\n1 1 1\ndirect\n0.000000 0.000000 -0.012162 Hf\n0.000000 0.000000 0.381572 Br\n0.000000 0.000000 0.709568 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Br",
"N"
],
"chemical_system": "Br-Hf-N",
"density": 5.890431332851151,
"density_atomic": 0.03906708753223038,
"volume": 76.7909816037604,
"volume_molar": 15.414870010547189,
"formula_full": "Hf1 Br1 N1",
"formula_reduced": "HfBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.387876785,
"spacegroup": 99
},
{
"id": "jvasp-120031",
"created_at": "2022-09-04T14:38:52.670746Z",
"updated_at": "2022-09-04T14:38:52.670772Z",
"structure_string": "Hf1 Br1 N1\n1.0\n3.073005 0.000000 0.000000\n0.000000 5.324927 0.000000\n0.000000 0.000000 3.164483\nHf Br N\n1 1 1\ndirect\n0.000000 0.000000 0.319994 Hf\n0.499999 0.500000 0.319986 Br\n0.499999 0.000000 0.820018 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Br",
"N"
],
"chemical_system": "Br-Hf-N",
"density": 8.735295973711693,
"density_atomic": 0.05793507353556614,
"volume": 51.78210394707293,
"volume_molar": 10.394637293940827,
"formula_full": "Hf1 Br1 N1",
"formula_reduced": "HfBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.750686784999999,
"spacegroup": 47
},
{
"id": "jvasp-120030",
"created_at": "2022-09-04T14:38:50.619102Z",
"updated_at": "2022-09-04T14:38:50.619125Z",
"structure_string": "Hf1 Br1 N1\n1.0\n4.450937 -0.000000 0.000000\n-2.225468 3.854624 -0.000000\n-0.000000 0.000000 3.386145\nHf Br N\n1 1 1\ndirect\n0.333332 0.666666 0.000000 Hf\n0.000000 0.000000 0.000000 Br\n0.666666 0.333333 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Br",
"N"
],
"chemical_system": "Br-Hf-N",
"density": 7.786069878232738,
"density_atomic": 0.051639524557151345,
"volume": 58.09503526082605,
"volume_molar": 11.661882659928592,
"formula_full": "Hf1 Br1 N1",
"formula_reduced": "HfBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.311543451666666,
"spacegroup": 187
}
]
}