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=formula_reduced&page=218",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=216",
"results": [
{
"id": "jvasp-86220",
"created_at": "2022-09-04T14:35:54.584646Z",
"updated_at": "2022-09-04T14:35:54.584657Z",
"structure_string": "Ba6 Al6 Ga4\n1.0\n5.970236 -0.000000 0.000000\n-2.985118 5.170376 -0.000000\n-0.000000 -0.000000 14.728682\nBa Al Ga\n6 6 4\ndirect\n0.333333 0.666668 0.877778 Ba\n0.666667 0.333333 0.377778 Ba\n0.666667 0.333333 0.122222 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666668 0.622222 Ba\n0.000000 0.000000 0.500000 Ba\n0.841613 0.683227 0.750000 Al\n0.683227 0.841613 0.250000 Al\n0.841613 0.158387 0.750000 Al\n0.158387 0.841613 0.250000 Al\n0.316774 0.158387 0.750000 Al\n0.158387 0.316774 0.250000 Al\n0.666667 0.333333 0.888216 Ga\n0.333333 0.666668 0.111784 Ga\n0.333333 0.666668 0.388216 Ga\n0.666667 0.333333 0.611783 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ga"
],
"chemical_system": "Al-Ba-Ga",
"density": 4.619276403371508,
"density_atomic": 0.035191880248921246,
"volume": 454.65033089530516,
"volume_molar": 17.112301807700653,
"formula_full": "Ba6 Al6 Ga4",
"formula_reduced": "Ba3Al3Ga2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.5021053937500001,
"spacegroup": 194
},
{
"id": "jvasp-120563",
"created_at": "2022-09-04T14:38:45.838069Z",
"updated_at": "2022-09-04T14:38:45.838098Z",
"structure_string": "Ba6 Al6 N10\n1.0\n5.814791 -0.005311 -1.126054\n-1.366943 7.081934 -2.452147\n0.000530 -0.001839 8.845824\nBa Al N\n6 6 10\ndirect\n0.807221 0.426174 0.607980 Ba\n0.192780 0.573825 0.392020 Ba\n0.665456 0.855310 0.881161 Ba\n0.334544 0.144689 0.118838 Ba\n0.662484 0.658320 0.216270 Ba\n0.337516 0.341680 0.783730 Ba\n0.900210 0.107687 0.292092 Al\n0.302401 0.029434 0.419331 Al\n0.099790 0.892312 0.707907 Al\n0.085067 0.680423 0.022886 Al\n0.914933 0.319576 0.977114 Al\n0.697599 0.970566 0.580669 Al\n0.187792 0.780250 0.868755 N\n0.936520 0.111234 0.781690 N\n0.063480 0.888766 0.218309 N\n0.819971 0.744670 0.545346 N\n0.180029 0.255329 0.454653 N\n0.781599 0.515705 0.921410 N\n0.218401 0.484294 0.078589 N\n0.369368 0.953338 0.610602 N\n0.630632 0.046662 0.389398 N\n0.812208 0.219749 0.131245 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Al",
"N"
],
"chemical_system": "Al-Ba-N",
"density": 5.133786897305102,
"density_atomic": 0.06040940650473596,
"volume": 364.18169409221474,
"volume_molar": 9.968879200175353,
"formula_full": "Ba6 Al6 N10",
"formula_reduced": "Ba3Al3N5",
"formula_anonymous": "A3B3C5",
"energy_above_hull": 3.2052838690909087,
"spacegroup": 2
},
{
"id": "jvasp-57693",
"created_at": "2022-09-04T14:37:18.776972Z",
"updated_at": "2022-09-04T14:37:18.777002Z",
"structure_string": "Ba6 Al10\n1.0\n3.042641 -5.270009 -0.000000\n3.042641 5.270009 0.000000\n-0.000000 0.000000 14.736507\nBa Al\n6 10\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.125191 Ba\n0.666667 0.333333 0.625191 Ba\n0.666667 0.333333 0.874809 Ba\n0.333333 0.666667 0.374809 Ba\n0.846002 0.153998 0.250000 Al\n0.153998 0.307997 0.750000 Al\n0.692003 0.846002 0.750000 Al\n0.307997 0.153998 0.250000 Al\n0.846002 0.692003 0.250000 Al\n0.153998 0.846002 0.750000 Al\n0.333333 0.666667 0.885730 Al\n0.666667 0.333333 0.385730 Al\n0.666667 0.333333 0.114270 Al\n0.333333 0.666667 0.614270 Al\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ba",
"Al"
],
"chemical_system": "Al-Ba",
"density": 3.843186118493478,
"density_atomic": 0.03385582196404109,
"volume": 472.59227724537016,
"volume_molar": 17.787607597878527,
"formula_full": "Ba6 Al10",
"formula_reduced": "Ba3Al5",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.08079523875,
"spacegroup": 194
},
{
"id": "jvasp-16297",
"created_at": "2022-09-04T14:37:49.620062Z",
"updated_at": "2022-09-04T14:37:49.620077Z",
"structure_string": "Ba3 Al2 Ge2\n1.0\n4.262379 0.000000 -0.904002\n-0.264925 4.971859 -1.249126\n0.019693 0.012319 10.593434\nBa Al Ge\n3 2 2\ndirect\n0.814921 0.814928 0.629844 Ba\n0.500000 -0.000000 0.000000 Ba\n0.185078 0.185072 0.370156 Ba\n0.934948 0.434955 0.869898 Al\n0.065051 0.565046 0.130102 Al\n0.363925 0.363936 0.727852 Ge\n0.636073 0.636065 0.272148 Ge\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ge"
],
"chemical_system": "Al-Ba-Ge",
"density": 4.517916536723504,
"density_atomic": 0.031159228252401205,
"volume": 224.65254733838162,
"volume_molar": 19.326989459489965,
"formula_full": "Ba3 Al2 Ge2",
"formula_reduced": "Ba3(AlGe)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.6101936299999999,
"spacegroup": 71
},
{
"id": "jvasp-88331",
"created_at": "2022-09-04T14:36:16.758308Z",
"updated_at": "2022-09-04T14:36:16.758327Z",
"structure_string": "Ba12 Al4 H4 O16\n1.0\n10.563874 0.000000 0.000000\n0.000000 8.236890 -0.000000\n0.000000 0.000000 7.292094\nBa Al H O\n12 4 4 16\ndirect\n0.834137 0.025296 0.399099 Ba\n0.535764 0.750000 0.401137 Ba\n0.035765 0.750000 0.098862 Ba\n0.464235 0.250000 0.598862 Ba\n0.334137 0.025296 0.100901 Ba\n0.834137 0.474704 0.399099 Ba\n0.964235 0.250000 0.901137 Ba\n0.165863 0.974704 0.600901 Ba\n0.665863 0.974704 0.899098 Ba\n0.165863 0.525296 0.600901 Ba\n0.334137 0.474704 0.100901 Ba\n0.665863 0.525296 0.899098 Ba\n0.603422 0.250000 0.189103 Al\n0.103422 0.250000 0.310897 Al\n0.396577 0.750000 0.810897 Al\n0.896577 0.750000 0.689102 Al\n0.769988 0.750000 0.160523 H\n0.269988 0.750000 0.339477 H\n0.230012 0.250000 0.839476 H\n0.730011 0.250000 0.660523 H\n0.267963 0.250000 0.371614 O\n0.767963 0.250000 0.128386 O\n0.988501 0.750000 0.482395 O\n0.488501 0.750000 0.017605 O\n0.011499 0.250000 0.517604 O\n0.511499 0.250000 0.982395 O\n0.232037 0.750000 0.871613 O\n0.072329 0.065304 0.194723 O\n0.927670 0.565304 0.805276 O\n0.427671 0.934696 0.694723 O\n0.927670 0.934696 0.805276 O\n0.427671 0.565304 0.694723 O\n0.072329 0.434696 0.194723 O\n0.572329 0.065304 0.305276 O\n0.572329 0.434696 0.305276 O\n0.732037 0.750000 0.628386 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ba",
"Al",
"H",
"O"
],
"chemical_system": "Al-Ba-H-O",
"density": 5.275618478048951,
"density_atomic": 0.05673665969696651,
"volume": 634.5103887376856,
"volume_molar": 10.614196874057393,
"formula_full": "Ba12 Al4 H4 O16",
"formula_reduced": "Ba3AlHO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.4328160788888888,
"spacegroup": 62
},
{
"id": "jvasp-16166",
"created_at": "2022-09-04T14:36:55.366724Z",
"updated_at": "2022-09-04T14:36:55.366749Z",
"structure_string": "Ba3 Al2 Si2\n1.0\n4.223592 0.000000 -0.878190\n-0.261835 4.954365 -1.259275\n-0.007769 0.039503 10.558266\nBa Al Si\n3 2 2\ndirect\n0.500000 0.000000 -0.000000 Ba\n0.814141 0.814187 0.628281 Ba\n0.185859 0.185812 0.371719 Ba\n0.065583 0.565547 0.131165 Al\n0.934417 0.434451 0.868835 Al\n0.634360 0.634293 0.268719 Si\n0.365640 0.365706 0.731281 Si\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Si"
],
"chemical_system": "Al-Ba-Si",
"density": 3.9209248074174194,
"density_atomic": 0.031657106828062435,
"volume": 221.1193852305812,
"volume_molar": 19.023029466046072,
"formula_full": "Ba3 Al2 Si2",
"formula_reduced": "Ba3(AlSi)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.3868758157142855,
"spacegroup": 71
},
{
"id": "jvasp-36476",
"created_at": "2022-09-04T14:37:30.817419Z",
"updated_at": "2022-09-04T14:37:30.817449Z",
"structure_string": "Ba3 As2\n1.0\n6.136082 0.000000 0.000000\n0.000000 6.136082 -0.000000\n0.000000 -0.000000 6.136082\nBa As\n3 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 As\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ba",
"As"
],
"chemical_system": "As-Ba",
"density": 4.0380907552945855,
"density_atomic": 0.021641957518421663,
"volume": 231.03270560179195,
"volume_molar": 27.826229465952633,
"formula_full": "Ba3 As2",
"formula_reduced": "Ba3As2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.6925962819999999,
"spacegroup": 221
},
{
"id": "jvasp-36500",
"created_at": "2022-09-04T14:37:27.652489Z",
"updated_at": "2022-09-04T14:37:27.652510Z",
"structure_string": "Ba3 As1 N1\n1.0\n6.135597 0.000000 -0.000000\n-0.000000 6.135597 0.000000\n0.000000 0.000000 6.135597\nBa As N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"N"
],
"chemical_system": "As-Ba-N",
"density": 3.6011209914791578,
"density_atomic": 0.0216470901138915,
"volume": 230.9779269958954,
"volume_molar": 27.819631776445725,
"formula_full": "Ba3 As1 N1",
"formula_reduced": "Ba3AsN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.498236582,
"spacegroup": 221
},
{
"id": "jvasp-36511",
"created_at": "2022-09-04T14:37:31.335083Z",
"updated_at": "2022-09-04T14:37:31.335100Z",
"structure_string": "Ba3 As1 N1\n1.0\n5.447017 -0.000000 -0.000000\n0.000000 5.447017 -0.000000\n0.000000 0.000000 5.447017\nBa As N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"N"
],
"chemical_system": "As-Ba-N",
"density": 5.146737285946936,
"density_atomic": 0.030938112350303554,
"volume": 161.61296278798153,
"volume_molar": 19.46512021099734,
"formula_full": "Ba3 As1 N1",
"formula_reduced": "Ba3AsN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.270188582,
"spacegroup": 221
},
{
"id": "jvasp-10566",
"created_at": "2022-09-04T14:37:15.257227Z",
"updated_at": "2022-09-04T14:37:15.257253Z",
"structure_string": "Ba3 As2 O8\n1.0\n5.427831 0.007704 5.759472\n2.291353 4.920479 5.759472\n0.012066 0.007704 7.914083\nBa As O\n3 2 8\ndirect\n0.794091 0.794089 0.794090 Ba\n0.205910 0.205909 0.205909 Ba\n0.000000 0.000000 0.000000 Ba\n0.592582 0.592580 0.592581 As\n0.407419 0.407418 0.407419 As\n0.672397 0.672396 0.672397 O\n0.327603 0.327603 0.327603 O\n0.726576 0.726575 0.243142 O\n0.726577 0.243141 0.726575 O\n0.243142 0.726575 0.726575 O\n0.273424 0.756858 0.273424 O\n0.273425 0.273423 0.756857 O\n0.756858 0.273423 0.273424 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"As",
"O"
],
"chemical_system": "As-Ba-O",
"density": 5.435338156941546,
"density_atomic": 0.061685830975174584,
"volume": 210.74531694696373,
"volume_molar": 9.76259971665715,
"formula_full": "Ba3 As2 O8",
"formula_reduced": "Ba3(AsO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.0038922623076925,
"spacegroup": 166
},
{
"id": "jvasp-36487",
"created_at": "2022-09-04T14:36:52.016166Z",
"updated_at": "2022-09-04T14:36:52.016182Z",
"structure_string": "Ba3 As1 P1\n1.0\n6.030838 -0.000000 0.000000\n-0.000000 6.030838 -0.000000\n0.000000 -0.000000 6.030838\nBa As P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"P"
],
"chemical_system": "As-Ba-P",
"density": 3.9205066788843475,
"density_atomic": 0.022794864577079032,
"volume": 219.34765100678248,
"volume_molar": 26.418848594763997,
"formula_full": "Ba3 As1 P1",
"formula_reduced": "Ba3AsP",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8214690320000002,
"spacegroup": 221
},
{
"id": "jvasp-36502",
"created_at": "2022-09-04T14:37:28.394682Z",
"updated_at": "2022-09-04T14:37:28.394710Z",
"structure_string": "Ba3 As1 P1\n1.0\n6.119167 -0.000000 -0.000000\n-0.000000 6.119167 0.000000\n0.000000 -0.000000 6.119167\nBa As P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"P"
],
"chemical_system": "As-Ba-P",
"density": 3.753170278748224,
"density_atomic": 0.021821926410575437,
"volume": 229.12734219362403,
"volume_molar": 27.59674213309382,
"formula_full": "Ba3 As1 P1",
"formula_reduced": "Ba3AsP",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8588570320000002,
"spacegroup": 221
}
]
}