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=155",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=153",
"results": [
{
"id": "jvasp-102301",
"created_at": "2022-09-04T14:37:04.375033Z",
"updated_at": "2022-09-04T14:37:04.375058Z",
"structure_string": "Tl3 Ga1 F6\n1.0\n5.536738 -0.000000 3.196637\n1.845579 5.220087 3.196637\n-0.000000 -0.000000 6.393274\nTl Ga F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.787781 0.212219 0.212219 F\n0.212219 0.787782 0.787781 F\n0.212219 0.787782 0.212219 F\n0.787781 0.212219 0.787781 F\n0.212219 0.212219 0.787781 F\n0.787781 0.787782 0.212219 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Ga",
"F"
],
"chemical_system": "F-Ga-Tl",
"density": 7.16106971395342,
"density_atomic": 0.054118402473084366,
"volume": 184.78002939893636,
"volume_molar": 11.12771346677333,
"formula_full": "Tl3 Ga1 F6",
"formula_reduced": "Tl3GaF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102302",
"created_at": "2022-09-04T14:36:42.237989Z",
"updated_at": "2022-09-04T14:36:42.238010Z",
"structure_string": "Th2 Si2 Ru4 C2\n1.0\n5.971211 -0.005276 0.000000\n-4.662455 3.730537 0.000000\n-0.000000 0.000000 7.191392\nTh Si Ru C\n2 2 4 2\ndirect\n0.554440 0.445560 0.250000 Th\n0.445560 0.554440 0.750000 Th\n0.273663 0.726338 0.250000 Si\n0.726337 0.273662 0.750000 Si\n0.835641 0.164358 0.055847 Ru\n0.164360 0.835642 0.944153 Ru\n0.164360 0.835642 0.555847 Ru\n0.835641 0.164358 0.444153 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Th",
"Si",
"Ru",
"C"
],
"chemical_system": "C-Ru-Si-Th",
"density": 9.84332378407878,
"density_atomic": 0.06249325168359699,
"volume": 160.0172775555023,
"volume_molar": 9.636465694712234,
"formula_full": "Th2 Si2 Ru4 C2",
"formula_reduced": "ThSiRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.46283704,
"spacegroup": 63
},
{
"id": "jvasp-102304",
"created_at": "2022-09-04T14:36:42.419404Z",
"updated_at": "2022-09-04T14:36:42.419427Z",
"structure_string": "Rb2 Li1 Yb1 Cl6\n1.0\n6.281352 -0.000000 3.626541\n2.093784 5.922116 3.626541\n-0.000000 -0.000000 7.253081\nYb Rb Li Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750001 0.750000 Rb\n0.499999 0.500000 0.500000 Li\n0.742020 0.257979 0.257979 Cl\n0.257978 0.742021 0.742021 Cl\n0.257978 0.742021 0.257979 Cl\n0.742020 0.257979 0.742021 Cl\n0.257979 0.257979 0.742021 Cl\n0.742020 0.742021 0.257979 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Rb",
"Li",
"Cl"
],
"chemical_system": "Cl-Li-Rb-Yb",
"density": 3.4689191186695507,
"density_atomic": 0.03706358556572365,
"volume": 269.8065998570841,
"volume_molar": 16.248133223163563,
"formula_full": "Rb2 Li1 Yb1 Cl6",
"formula_reduced": "Rb2LiYbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102306",
"created_at": "2022-09-04T14:36:43.464338Z",
"updated_at": "2022-09-04T14:36:43.464372Z",
"structure_string": "Mg2 Sb3\n1.0\n4.744366 -0.000000 0.000000\n-2.372183 4.108741 0.000000\n0.000000 0.000000 7.252636\nMg Sb\n2 3\ndirect\n0.333334 0.666667 0.162906 Mg\n0.666667 0.333333 0.837094 Mg\n0.333334 0.666667 0.583485 Sb\n0.666667 0.333333 0.416515 Sb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.861286297995896,
"density_atomic": 0.03536610013688121,
"volume": 141.37832502447156,
"volume_molar": 17.028003474207964,
"formula_full": "Mg2 Sb3",
"formula_reduced": "Mg2Sb3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.9278293114285716,
"spacegroup": 164
},
{
"id": "jvasp-102307",
"created_at": "2022-09-04T14:36:43.720317Z",
"updated_at": "2022-09-04T14:36:43.720337Z",
"structure_string": "Sm1 Si2 Ru3\n1.0\n5.605835 -0.000000 0.000000\n-2.802917 4.854796 0.000000\n0.000000 0.000000 3.633270\nSm Si Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333334 0.666667 -0.000000 Si\n0.666667 0.333334 -0.000000 Si\n-0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Sm",
"density": 8.560313994221604,
"density_atomic": 0.060679540206672086,
"volume": 98.88011642086015,
"volume_molar": 9.924499657526788,
"formula_full": "Sm1 Si2 Ru3",
"formula_reduced": "SmSi2Ru3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.8385195958333336,
"spacegroup": 191
},
{
"id": "jvasp-102308",
"created_at": "2022-09-04T14:36:43.433368Z",
"updated_at": "2022-09-04T14:36:43.433397Z",
"structure_string": "La2 As1 I2\n1.0\n4.398205 0.000000 0.000000\n-2.199103 3.808957 0.000000\n-0.000000 -0.000000 10.942783\nLa As I\n2 1 2\ndirect\n0.333334 0.666667 0.152059 La\n0.666666 0.333334 0.847941 La\n0.000000 0.000000 0.000000 As\n0.333334 0.666667 0.655672 I\n0.666666 0.333334 0.344328 I\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"As",
"I"
],
"chemical_system": "As-I-La",
"density": 5.494147052290755,
"density_atomic": 0.027274743778832735,
"volume": 183.31977893337273,
"volume_molar": 22.07955025657707,
"formula_full": "La2 As1 I2",
"formula_reduced": "La2AsI2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.82668686,
"spacegroup": 164
},
{
"id": "jvasp-102309",
"created_at": "2022-09-04T14:37:11.239617Z",
"updated_at": "2022-09-04T14:37:11.239636Z",
"structure_string": "Rb2 Sb1 Cl6\n1.0\n6.195779 -0.000000 3.577135\n2.065260 5.841437 3.577135\n-0.000000 -0.000000 7.154270\nRb Sb Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 Sb\n0.748824 0.251176 0.251176 Cl\n0.251176 0.748824 0.748823 Cl\n0.251176 0.748824 0.251175 Cl\n0.748824 0.251176 0.748823 Cl\n0.251176 0.251176 0.748823 Cl\n0.748824 0.748824 0.251175 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"Cl"
],
"chemical_system": "Cl-Rb-Sb",
"density": 3.24126903091948,
"density_atomic": 0.03475854333317156,
"volume": 258.92914768412965,
"volume_molar": 17.325641935785075,
"formula_full": "Rb2 Sb1 Cl6",
"formula_reduced": "Rb2SbCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0524366853703703,
"spacegroup": 225
},
{
"id": "jvasp-10231",
"created_at": "2022-09-04T14:37:06.200982Z",
"updated_at": "2022-09-04T14:37:06.200992Z",
"structure_string": "K2 Na4 B2 O6\n1.0\n5.582349 0.000000 0.000000\n0.000000 5.611800 0.000000\n0.000000 0.000000 6.006990\nK Na B O\n2 4 2 6\ndirect\n0.918858 0.500000 0.000000 K\n0.081142 0.000000 0.500000 K\n0.373870 0.500000 0.270242 Na\n0.373870 0.500000 0.729758 Na\n0.626131 0.000000 0.229758 Na\n0.626131 0.000000 0.770242 Na\n0.796537 0.500000 0.500000 B\n0.203463 0.000000 0.000000 B\n0.665460 0.287069 0.500000 O\n0.334541 0.212931 0.000000 O\n0.044813 0.500000 0.500000 O\n0.955188 0.000000 0.000000 O\n0.334541 0.787069 0.000000 O\n0.665460 0.712931 0.500000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Na",
"B",
"O"
],
"chemical_system": "B-K-Na-O",
"density": 2.53936242573794,
"density_atomic": 0.07439640629722022,
"volume": 188.18113262176618,
"volume_molar": 8.094666207317886,
"formula_full": "K2 Na4 B2 O6",
"formula_reduced": "KNa2BO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.217859869047619,
"spacegroup": 59
},
{
"id": "jvasp-102310",
"created_at": "2022-09-04T14:37:11.996592Z",
"updated_at": "2022-09-04T14:37:11.996616Z",
"structure_string": "Cr1 Mo1 O4\n1.0\n2.915208 0.000000 0.000000\n0.000000 4.646736 -0.123827\n-0.000000 -0.023312 4.648094\nCr Mo O\n1 1 4\ndirect\n-0.000000 0.500000 -0.000000 Cr\n0.500000 0.000000 0.500000 Mo\n0.500000 0.701753 0.201787 O\n0.500000 0.298248 0.798211 O\n-0.000000 0.207708 0.292256 O\n-0.000000 0.792294 0.707742 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Mo",
"O"
],
"chemical_system": "Cr-Mo-O",
"density": 5.59003744259436,
"density_atomic": 0.09530525540187484,
"volume": 62.95560485830216,
"volume_molar": 6.3187919014605916,
"formula_full": "Cr1 Mo1 O4",
"formula_reduced": "CrMoO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.416282883333334,
"spacegroup": 65
},
{
"id": "jvasp-102311",
"created_at": "2022-09-04T14:37:12.537894Z",
"updated_at": "2022-09-04T14:37:12.537922Z",
"structure_string": "C2 S2 N6\n1.0\n5.407152 0.052340 1.704513\n0.808639 5.407389 1.042927\n0.692336 0.205407 6.634151\nC S N\n2 2 6\ndirect\n0.437738 0.285171 0.132755 C\n0.562263 0.714830 0.867245 C\n0.643198 0.348907 0.214761 S\n0.356803 0.651094 0.785238 S\n0.889964 0.208590 0.634584 N\n0.110037 0.791411 0.365415 N\n-0.045225 0.756127 0.318123 N\n0.045226 0.243873 0.681877 N\n0.294439 0.288445 0.038955 N\n0.705561 0.711556 -0.038955 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"C",
"S",
"N"
],
"chemical_system": "C-N-S",
"density": 1.5333579787928322,
"density_atomic": 0.05362687603199365,
"volume": 186.47366283342754,
"volume_molar": 11.22970645615681,
"formula_full": "C2 S2 N6",
"formula_reduced": "CSN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.06011595,
"spacegroup": 2
},
{
"id": "jvasp-102313",
"created_at": "2022-09-04T14:37:14.016115Z",
"updated_at": "2022-09-04T14:37:14.016140Z",
"structure_string": "Zn2 Cu2 Au4\n1.0\n2.984688 -0.000000 0.000000\n0.000000 4.569171 0.170616\n-0.000000 0.060745 9.114855\nZn Cu Au\n2 2 4\ndirect\n-0.000000 0.291891 0.883475 Zn\n-0.000000 0.708108 0.116526 Zn\n-0.000000 0.803661 0.609714 Cu\n-0.000000 0.196338 0.390287 Cu\n0.500000 0.301253 0.631462 Au\n0.500000 0.698746 0.368539 Au\n0.500000 0.794106 0.860949 Au\n0.500000 0.205892 0.139052 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Cu",
"Au"
],
"chemical_system": "Au-Cu-Zn",
"density": 13.973649844882942,
"density_atomic": 0.06437421713010298,
"volume": 124.27335595913604,
"volume_molar": 9.354895528793776,
"formula_full": "Zn2 Cu2 Au4",
"formula_reduced": "ZnCuAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0877091449999999,
"spacegroup": 10
},
{
"id": "jvasp-102317",
"created_at": "2022-09-04T14:36:45.627432Z",
"updated_at": "2022-09-04T14:36:45.627459Z",
"structure_string": "Y2 As1 S1\n1.0\n3.857045 0.004147 5.752186\n1.753090 3.435621 5.752186\n0.006764 0.004147 6.925634\nY As S\n2 1 1\ndirect\n0.249369 0.249369 0.249369 Y\n0.750631 0.750632 0.750631 Y\n0.000000 0.000000 0.000000 As\n0.500000 0.500001 0.500000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"As",
"S"
],
"chemical_system": "As-S-Y",
"density": 5.1662567542414175,
"density_atomic": 0.04369678525060601,
"volume": 91.53991482576,
"volume_molar": 13.781656305978439,
"formula_full": "Y2 As1 S1",
"formula_reduced": "Y2AsS",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0165906625,
"spacegroup": 166
}
]
}