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=-elements&page=719",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=717",
"results": [
{
"id": "jvasp-45398",
"created_at": "2022-09-04T14:36:51.300532Z",
"updated_at": "2022-09-04T14:36:51.300562Z",
"structure_string": "Ba3 B3 As3 O15\n1.0\n3.686674 -6.385508 0.000000\n3.686674 6.385508 -0.000000\n0.000000 -0.000000 7.179174\nBa B As O\n3 3 3 15\ndirect\n0.333337 0.058058 0.836240 Ba\n0.724721 0.666662 0.502907 Ba\n0.941941 0.275278 0.169574 Ba\n0.333270 0.569865 0.836271 B\n0.236594 0.666729 0.502939 B\n0.430134 0.763405 0.169605 B\n0.936519 0.269974 0.669559 As\n0.333456 0.063480 0.336226 As\n0.730024 0.666543 0.002893 As\n0.511513 0.521521 0.857445 O\n0.897597 0.080202 0.517885 O\n0.182606 0.102403 0.184552 O\n0.919796 0.817393 0.851219 O\n0.155104 0.343260 0.814861 O\n0.188155 0.844895 0.481528 O\n0.306490 0.666460 0.003041 O\n0.768549 0.515528 0.154694 O\n0.484471 0.253021 0.488028 O\n0.746978 0.231450 0.821361 O\n0.478478 0.989993 0.190778 O\n0.359969 0.693509 0.669708 O\n0.333539 0.640029 0.336374 O\n0.656739 0.811843 0.148194 O\n0.010006 0.488486 0.524112 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"B",
"As",
"O"
],
"chemical_system": "As-B-Ba-O",
"density": 4.466418711490021,
"density_atomic": 0.07100298012446758,
"volume": 338.0139813558278,
"volume_molar": 8.481532394053378,
"formula_full": "Ba3 B3 As3 O15",
"formula_reduced": "BaBAsO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.4181809754166665,
"spacegroup": 152
},
{
"id": "jvasp-117361",
"created_at": "2022-09-04T14:38:26.551299Z",
"updated_at": "2022-09-04T14:38:26.551320Z",
"structure_string": "Ba1 As2 Xe5 F22\n1.0\n8.230018 -0.019500 5.293248\n3.436855 7.399439 3.683822\n0.071878 -0.111253 8.977070\nBa As Xe F\n1 2 5 22\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 0.500000 0.000000 As\n0.500000 0.000000 0.500000 As\n0.000000 0.000000 0.500000 Xe\n0.500000 0.500000 0.000000 Xe\n0.500000 0.000000 0.000000 Xe\n-0.000000 0.500000 0.500000 Xe\n0.500000 0.500000 0.500000 Xe\n0.350012 0.649988 0.350012 F\n0.649988 0.350012 0.649988 F\n0.952556 0.403163 0.228715 F\n0.047444 0.596837 0.771285 F\n0.771285 0.584435 0.047445 F\n0.228715 0.415566 0.952555 F\n0.596837 0.047445 0.584435 F\n0.692564 0.307436 0.097366 F\n0.403163 0.952556 0.415565 F\n0.307436 0.692565 0.902634 F\n0.938525 0.294920 0.705080 F\n0.902634 0.097366 0.307436 F\n0.061475 0.705080 0.294920 F\n0.415565 0.228715 0.403163 F\n0.705080 0.061475 0.938525 F\n0.294919 0.938525 0.061475 F\n0.702110 0.949262 0.297890 F\n0.297890 0.050739 0.702110 F\n0.949261 0.702111 0.050738 F\n0.050738 0.297890 0.949261 F\n0.097365 0.902635 0.692564 F\n0.584435 0.771285 0.596837 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"As",
"Xe",
"F"
],
"chemical_system": "As-Ba-F-Xe",
"density": 4.142437547213685,
"density_atomic": 0.054964029195714595,
"volume": 545.8115141664146,
"volume_molar": 10.956512555796273,
"formula_full": "Ba1 As2 Xe5 F22",
"formula_reduced": "BaAs2Xe5F22",
"formula_anonymous": "AB2C5D22",
"energy_above_hull": 0.0,
"spacegroup": 69
},
{
"id": "jvasp-25801",
"created_at": "2022-09-04T14:37:44.153365Z",
"updated_at": "2022-09-04T14:37:44.153398Z",
"structure_string": "Ba10 As6 Cl2 O24\n1.0\n5.325601 -9.224212 0.000000\n5.325601 9.224212 0.000000\n0.000000 0.000000 7.817853\nBa As Cl O\n10 6 2 24\ndirect\n0.666667 0.333333 0.499004 Ba\n0.333333 0.666667 0.500996 Ba\n0.012486 0.757034 0.750000 Ba\n0.333333 0.666667 0.999004 Ba\n0.744547 0.987513 0.750000 Ba\n0.242966 0.255452 0.750000 Ba\n0.757034 0.744547 0.250000 Ba\n0.987513 0.242966 0.250000 Ba\n0.666667 0.333333 0.000996 Ba\n0.255452 0.012486 0.250000 Ba\n0.628301 0.593927 0.750000 As\n0.406073 0.034373 0.750000 As\n0.034373 0.628301 0.250000 As\n0.593927 0.965626 0.250000 As\n0.965626 0.371699 0.750000 As\n0.371699 0.406073 0.250000 As\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n0.472025 0.593306 0.250000 O\n0.261053 0.355903 0.427387 O\n0.519226 0.670826 0.750000 O\n0.261053 0.355903 0.072613 O\n0.151601 0.480774 0.750000 O\n0.738947 0.644096 0.572613 O\n0.355903 0.094851 0.927387 O\n0.480774 0.329174 0.250000 O\n0.905148 0.261053 0.572613 O\n0.905148 0.261053 0.927387 O\n0.878719 0.472025 0.750000 O\n0.355903 0.094851 0.572613 O\n0.738947 0.644096 0.927387 O\n0.593306 0.121281 0.750000 O\n0.121281 0.527975 0.250000 O\n0.848399 0.519226 0.250000 O\n0.670826 0.151601 0.250000 O\n0.094851 0.738947 0.427387 O\n0.406694 0.878719 0.250000 O\n0.644096 0.905148 0.427387 O\n0.329174 0.848399 0.750000 O\n0.644096 0.905148 0.072613 O\n0.094851 0.738947 0.072613 O\n0.527975 0.406694 0.750000 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Ba",
"As",
"Cl",
"O"
],
"chemical_system": "As-Ba-Cl-O",
"density": 4.924119050296212,
"density_atomic": 0.054680678316069285,
"volume": 768.0958117825186,
"volume_molar": 11.013288323144744,
"formula_full": "Ba10 As6 Cl2 O24",
"formula_reduced": "Ba5As3ClO12",
"formula_anonymous": "AB3C5D12",
"energy_above_hull": 1.9805171984523808,
"spacegroup": 176
},
{
"id": "jvasp-9193",
"created_at": "2022-09-04T14:37:11.226112Z",
"updated_at": "2022-09-04T14:37:11.226138Z",
"structure_string": "Ba2 Al1 V3 O8\n1.0\n0.000000 3.796388 0.318930\n4.083258 0.000000 0.000000\n0.000000 -0.950584 -11.408165\nBa Al V O\n2 1 3 8\ndirect\n0.439259 0.500000 0.842592 Ba\n0.614201 0.500000 0.192712 Ba\n0.286163 0.500000 0.536633 Al\n-0.166109 0.000000 0.632166 V\n0.026005 0.000000 0.016200 V\n0.197662 0.000000 0.359727 V\n-0.185376 0.500000 0.593719 O\n0.301377 0.000000 0.567086 O\n0.520667 0.000000 0.005513 O\n0.918459 0.000000 0.800961 O\n0.208993 0.500000 0.382381 O\n0.704820 0.000000 0.374044 O\n0.112030 0.000000 0.188359 O\n0.021855 0.500000 0.007905 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Al",
"V",
"O"
],
"chemical_system": "Al-Ba-O-V",
"density": 5.507686440438296,
"density_atomic": 0.0797233592343124,
"volume": 175.60725155663656,
"volume_molar": 7.553797052505676,
"formula_full": "Ba2 Al1 V3 O8",
"formula_reduced": "Ba2AlV3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.77321681,
"spacegroup": 38
},
{
"id": "jvasp-9213",
"created_at": "2022-09-04T14:38:07.660200Z",
"updated_at": "2022-09-04T14:38:07.660223Z",
"structure_string": "Ba2 Al1 V3 O7\n1.0\n3.859472 -0.000000 0.000000\n0.000000 3.923804 0.000000\n0.000000 0.000000 11.233704\nBa Al V O\n2 1 3 7\ndirect\n0.500000 0.500000 0.820303 Ba\n0.500000 0.500000 0.179696 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.646238 V\n0.000000 0.000000 0.353762 V\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.612111 O\n0.500000 0.000000 0.387889 O\n0.000000 0.500000 0.611933 O\n0.000000 0.500000 0.388066 O\n0.000000 0.000000 0.822662 O\n0.000000 0.000000 0.177338 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Al",
"V",
"O"
],
"chemical_system": "Al-Ba-O-V",
"density": 5.5291322589831955,
"density_atomic": 0.07641615397498791,
"volume": 170.12109774924141,
"volume_molar": 7.880716899166546,
"formula_full": "Ba2 Al1 V3 O7",
"formula_reduced": "Ba2AlV3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 2.7651262953846154,
"spacegroup": 47
},
{
"id": "jvasp-9192",
"created_at": "2022-09-04T14:37:10.949110Z",
"updated_at": "2022-09-04T14:37:10.949145Z",
"structure_string": "Ba2 Al1 Sn3 O7\n1.0\n4.140140 0.000000 0.000000\n-0.000000 4.373308 0.000000\n0.000000 0.000000 11.535248\nBa Al Sn O\n2 1 3 7\ndirect\n0.500000 0.500000 0.811109 Ba\n0.500000 0.500000 0.188891 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.622088 Sn\n0.000000 0.000000 0.377912 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.628083 O\n0.500000 0.000000 0.371917 O\n0.000000 0.500000 0.619462 O\n0.000000 0.500000 0.380538 O\n0.000000 0.000000 0.801666 O\n0.000000 0.000000 0.198335 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Sn",
"O"
],
"chemical_system": "Al-Ba-O-Sn",
"density": 6.120024553245941,
"density_atomic": 0.062243115784811905,
"volume": 208.85843897892016,
"volume_molar": 9.6751916803456,
"formula_full": "Ba2 Al1 Sn3 O7",
"formula_reduced": "Ba2AlSn3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 1.690199564615385,
"spacegroup": 47
},
{
"id": "jvasp-9354",
"created_at": "2022-09-04T14:37:18.171318Z",
"updated_at": "2022-09-04T14:37:18.171346Z",
"structure_string": "Ba2 Al1 Sn3 O8\n1.0\n4.255709 -0.000000 -0.000000\n0.000000 4.255709 -0.000000\n-0.000000 0.000000 11.221257\nBa Al Sn O\n2 1 3 8\ndirect\n0.500000 0.500000 0.820318 Ba\n0.500000 0.500000 0.179682 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.626018 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.373982 Sn\n0.500000 0.000000 0.627474 O\n0.000000 0.500000 0.627474 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.813495 O\n0.500000 0.000000 0.372526 O\n0.000000 0.500000 0.372526 O\n0.000000 0.000000 0.186505 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Sn",
"O"
],
"chemical_system": "Al-Ba-O-Sn",
"density": 6.420281432967362,
"density_atomic": 0.06888785767859883,
"volume": 203.22884862116035,
"volume_molar": 8.741948092066853,
"formula_full": "Ba2 Al1 Sn3 O8",
"formula_reduced": "Ba2AlSn3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.7801319885714284,
"spacegroup": 123
},
{
"id": "jvasp-35117",
"created_at": "2022-09-04T14:37:40.190837Z",
"updated_at": "2022-09-04T14:37:40.190858Z",
"structure_string": "Ba1 Al2 Si2 O8\n1.0\n2.670695 -4.625780 0.000000\n2.670695 4.625780 0.000000\n0.000000 0.000000 7.867749\nBa Al Si O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.705851 Al\n0.333334 0.666668 0.294150 Al\n0.666668 0.333334 0.283509 Si\n0.333334 0.666668 0.716491 Si\n0.666668 0.333334 0.487278 O\n0.333334 0.666668 0.512722 O\n0.563938 0.988817 0.793529 O\n0.424879 0.436064 0.793529 O\n0.011185 0.575122 0.793529 O\n0.436064 0.011185 0.206471 O\n0.575123 0.563938 0.206471 O\n0.988816 0.424880 0.206471 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ba-O-Si",
"density": 3.207145827644211,
"density_atomic": 0.0668734290219319,
"volume": 194.39708999723197,
"volume_molar": 9.005281840751683,
"formula_full": "Ba1 Al2 Si2 O8",
"formula_reduced": "BaAl2(SiO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.4640059053846155,
"spacegroup": 147
},
{
"id": "jvasp-35118",
"created_at": "2022-09-04T14:37:42.203686Z",
"updated_at": "2022-09-04T14:37:42.203721Z",
"structure_string": "Ba1 Al2 Si2 O8\n1.0\n2.670723 -4.625827 0.000000\n2.670723 4.625827 -0.000000\n0.000000 -0.000000 7.867780\nBa Al Si O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333332 0.666667 0.705853 Al\n0.666667 0.333332 0.294147 Al\n0.333332 0.666667 0.283514 Si\n0.666667 0.333332 0.716486 Si\n0.333332 0.666667 0.487280 O\n0.666667 0.333332 0.512720 O\n0.575138 0.563948 0.793526 O\n0.988809 0.424861 0.793526 O\n0.436052 0.011190 0.793526 O\n0.424861 0.436051 0.206474 O\n0.011190 0.575138 0.206474 O\n0.563947 0.988809 0.206474 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ba-O-Si",
"density": 3.2070669821118485,
"density_atomic": 0.0668717849834642,
"volume": 194.4018692369972,
"volume_molar": 9.005503235017775,
"formula_full": "Ba1 Al2 Si2 O8",
"formula_reduced": "BaAl2(SiO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.4640059053846155,
"spacegroup": 147
},
{
"id": "jvasp-87859",
"created_at": "2022-09-04T14:35:40.845385Z",
"updated_at": "2022-09-04T14:35:40.845395Z",
"structure_string": "Ba12 Al8 Si12 O48\n1.0\n10.320051 0.000000 -3.648689\n-5.160026 8.937427 -3.648689\n-0.000000 0.000000 10.946068\nBa Al Si O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Ba\n0.250000 0.875000 0.625000 Ba\n0.875000 0.625000 0.250000 Ba\n0.625000 0.875000 0.750000 Ba\n0.875000 0.750000 0.625000 Ba\n0.625000 0.250000 0.875000 Ba\n0.375000 0.750000 0.125000 Ba\n0.750000 0.125000 0.375000 Ba\n0.125000 0.375000 0.750000 Ba\n0.375000 0.125000 0.250000 Ba\n0.125000 0.250000 0.375000 Ba\n0.750000 0.625000 0.875000 Ba\n-0.000000 0.500000 0.500000 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 -0.000000 -0.000000 Al\n0.000000 0.000000 0.500000 Al\n-0.000000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 -0.000000 Al\n0.625000 0.750000 0.375000 Si\n0.250000 0.125000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.375000 0.250000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.875000 0.250000 0.125000 Si\n0.875000 0.125000 0.750000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.375000 0.625000 0.750000 Si\n0.125000 0.750000 0.875000 Si\n0.250000 0.625000 0.375000 Si\n0.195091 0.184532 0.582450 O\n0.315468 0.510560 0.397918 O\n0.989440 0.304909 0.887358 O\n0.102082 0.612642 0.917550 O\n0.184532 0.582451 0.195091 O\n0.184532 0.102082 0.989441 O\n0.582450 0.195091 0.184532 O\n0.612642 0.195091 0.510559 O\n0.684532 0.695091 0.082450 O\n0.917549 0.315468 0.304909 O\n0.804909 0.815469 0.417550 O\n0.112642 0.602083 0.417550 O\n0.695091 0.082450 0.684532 O\n0.082450 0.684532 0.695091 O\n0.010559 0.815469 0.897918 O\n0.804909 0.489441 0.387358 O\n0.417550 0.112642 0.602082 O\n0.387358 0.804909 0.489441 O\n0.897918 0.010559 0.815468 O\n0.602082 0.417550 0.112642 O\n0.112642 0.010559 0.695091 O\n0.387358 0.082450 0.897918 O\n0.082450 0.897918 0.387358 O\n0.489440 0.602083 0.684532 O\n0.602082 0.684532 0.489441 O\n0.695091 0.112642 0.010559 O\n0.489441 0.387358 0.804909 O\n0.304909 0.917550 0.315468 O\n0.417549 0.804909 0.815468 O\n0.815468 0.417550 0.804909 O\n0.989441 0.184532 0.102082 O\n0.195091 0.510560 0.612642 O\n0.582450 0.887359 0.397918 O\n0.102082 0.989441 0.184532 O\n0.510559 0.612642 0.195091 O\n0.397917 0.582451 0.887358 O\n0.887358 0.989441 0.304909 O\n0.815468 0.897918 0.010559 O\n0.612641 0.917550 0.102082 O\n0.510559 0.397918 0.315468 O\n0.397917 0.315468 0.510559 O\n0.304909 0.887359 0.989441 O\n0.315468 0.304909 0.917550 O\n0.684532 0.489441 0.602082 O\n0.010559 0.695091 0.112642 O\n0.897917 0.387358 0.082450 O\n0.917550 0.102082 0.612642 O\n0.887358 0.397918 0.582450 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ba-O-Si",
"density": 4.8828532334835755,
"density_atomic": 0.07923872779235858,
"volume": 1009.6073249640795,
"volume_molar": 7.599996779075935,
"formula_full": "Ba12 Al8 Si12 O48",
"formula_reduced": "Ba3Al2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.4411030655,
"spacegroup": 230
},
{
"id": "jvasp-54869",
"created_at": "2022-09-04T14:37:49.915321Z",
"updated_at": "2022-09-04T14:37:49.915337Z",
"structure_string": "Ba1 Al1 Si1 H1\n1.0\n2.172964 -3.763684 -0.000000\n2.172964 3.763684 -0.000000\n0.000000 0.000000 5.245049\nBa Al Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.998696 Ba\n0.666666 0.333332 0.535476 Al\n0.333332 0.666666 0.454703 Si\n0.666666 0.333332 0.868225 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Si",
"H"
],
"chemical_system": "Al-Ba-H-Si",
"density": 3.743387456076108,
"density_atomic": 0.046624561652750515,
"volume": 85.79169129333849,
"volume_molar": 12.916241025173772,
"formula_full": "Ba1 Al1 Si1 H1",
"formula_reduced": "BaAlSiH",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.6510318425,
"spacegroup": 156
},
{
"id": "jvasp-9203",
"created_at": "2022-09-04T14:37:13.047054Z",
"updated_at": "2022-09-04T14:37:13.047081Z",
"structure_string": "Ba2 Al1 Ni3 O8\n1.0\n3.700293 0.000000 0.000000\n-0.000000 3.700293 -0.000000\n0.000000 -0.000000 12.411817\nBa Al Ni O\n2 1 3 8\ndirect\n0.500000 0.500000 0.827157 Ba\n0.500000 0.500000 0.172911 Ba\n0.500000 0.500000 0.499995 Al\n0.000000 0.000000 0.633073 Ni\n0.000000 0.000000 0.000080 Ni\n0.000000 0.000000 0.366888 Ni\n0.500000 0.000000 0.595322 O\n0.000000 0.500000 0.595322 O\n0.000000 0.500000 0.000028 O\n0.000000 0.000000 0.784434 O\n0.500000 0.000000 0.404624 O\n0.000000 0.500000 0.404624 O\n0.000000 0.000000 0.215512 O\n0.500000 0.000000 0.000028 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Ni",
"O"
],
"chemical_system": "Al-Ba-Ni-O",
"density": 5.918435543896762,
"density_atomic": 0.08237974507550133,
"volume": 169.94468709716145,
"volume_molar": 7.310220193666158,
"formula_full": "Ba2 Al1 Ni3 O8",
"formula_reduced": "Ba2AlNi3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.9585221385714284,
"spacegroup": 123
}
]
}