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=1221",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=1219",
"results": [
{
"id": "jvasp-20992",
"created_at": "2022-09-04T14:38:39.608820Z",
"updated_at": "2022-09-04T14:38:39.608843Z",
"structure_string": "Ba4 Al4 F20\n1.0\n4.883635 0.000000 0.000000\n0.000000 5.671061 0.000000\n0.000000 0.000000 13.819151\nBa Al F\n4 4 20\ndirect\n0.272469 0.841784 0.341641 Ba\n0.772468 0.658216 0.658359 Ba\n0.727530 0.341784 0.158359 Ba\n0.227531 0.158216 0.841641 Ba\n0.675603 0.352506 0.416192 Al\n0.175603 0.147494 0.583808 Al\n0.324396 0.852506 0.083808 Al\n0.824396 0.647494 0.916192 Al\n0.042440 0.899805 0.518332 F\n0.157355 0.054697 0.166883 F\n0.657354 0.445303 0.833117 F\n0.200968 0.598833 0.149785 F\n0.342645 0.945302 0.666883 F\n0.700967 0.901166 0.850215 F\n0.542440 0.600194 0.481668 F\n0.842644 0.554697 0.333117 F\n0.957559 0.399805 0.981668 F\n0.885361 0.149867 0.667746 F\n0.114638 0.649867 0.832254 F\n0.614638 0.850133 0.167746 F\n0.299032 0.401167 0.649785 F\n0.385361 0.350133 0.332254 F\n0.027037 0.847047 -0.001101 F\n0.527036 0.652952 0.001101 F\n0.972962 0.347048 0.501101 F\n0.472963 0.152952 0.498899 F\n0.457559 0.100195 0.018332 F\n0.799031 0.098833 0.350215 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Al",
"F"
],
"chemical_system": "Al-Ba-F",
"density": 4.500115451039682,
"density_atomic": 0.07315923451651578,
"volume": 382.72680386888095,
"volume_molar": 8.231552448297549,
"formula_full": "Ba4 Al4 F20",
"formula_reduced": "BaAlF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 19
},
{
"id": "jvasp-113616",
"created_at": "2022-09-04T14:38:46.215666Z",
"updated_at": "2022-09-04T14:38:46.215676Z",
"structure_string": "Ba1 Al1 F1\n1.0\n3.659296 -0.000000 0.000000\n-0.000000 3.659296 -0.000000\n0.000000 0.000000 7.654351\nBa Al F\n1 1 1\ndirect\n0.000000 0.000000 0.677761 Ba\n0.000000 0.000000 0.245147 Al\n0.000000 0.000000 0.013280 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Al",
"F"
],
"chemical_system": "Al-Ba-F",
"density": 2.969781886559942,
"density_atomic": 0.029269668204474082,
"volume": 102.49518303529754,
"volume_molar": 20.574680648684193,
"formula_full": "Ba1 Al1 F1",
"formula_reduced": "BaAlF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1793030053333333,
"spacegroup": 99
},
{
"id": "jvasp-22279",
"created_at": "2022-09-04T14:37:40.795711Z",
"updated_at": "2022-09-04T14:37:40.795739Z",
"structure_string": "Ba1 Al9 Fe2\n1.0\n4.006231 -6.938996 -0.000000\n4.006231 6.938996 -0.000000\n-0.000000 0.000000 3.961777\nBa Al Fe\n1 9 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 -0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n-0.000000 0.500000 0.000000 Al\n0.216133 0.432265 0.500000 Al\n0.783867 0.216133 0.500000 Al\n0.432265 0.216133 0.500000 Al\n0.567735 0.783867 0.500000 Al\n0.216133 0.783867 0.500000 Al\n0.783867 0.567735 0.500000 Al\n0.666667 0.333333 0.000000 Fe\n0.333333 0.666667 0.000000 Fe\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Fe"
],
"chemical_system": "Al-Ba-Fe",
"density": 3.7079158983438756,
"density_atomic": 0.05447893382757719,
"volume": 220.26862783290395,
"volume_molar": 11.05407234851501,
"formula_full": "Ba1 Al9 Fe2",
"formula_reduced": "BaAl9Fe2",
"formula_anonymous": "AB2C9",
"energy_above_hull": 2.1868751808333338,
"spacegroup": 191
},
{
"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-105553",
"created_at": "2022-09-04T14:38:48.482754Z",
"updated_at": "2022-09-04T14:38:48.482781Z",
"structure_string": "Ba2 Al1 Ga3\n1.0\n4.786867 -0.004033 3.921856\n2.243350 4.228652 3.921856\n-0.011442 -0.006876 7.917017\nBa Al Ga\n2 1 3\ndirect\n0.251605 0.251604 0.189088 Ba\n0.748244 0.748242 0.810566 Ba\n0.424065 0.424065 0.416550 Al\n0.573351 0.573350 0.584095 Ga\n0.925700 0.925700 0.236988 Ga\n0.077039 0.077037 0.762715 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ga"
],
"chemical_system": "Al-Ba-Ga",
"density": 5.281960608221452,
"density_atomic": 0.03736307085640747,
"volume": 160.58637211751153,
"volume_molar": 16.11789561715656,
"formula_full": "Ba2 Al1 Ga3",
"formula_reduced": "Ba2AlGa3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-86822",
"created_at": "2022-09-04T14:35:45.950647Z",
"updated_at": "2022-09-04T14:35:45.950666Z",
"structure_string": "Ba6 Al6 Ga4\n1.0\n5.970415 -0.000000 0.000000\n-2.985207 5.170531 -0.000000\n0.000000 -0.000000 14.728134\nBa Al Ga\n6 6 4\ndirect\n0.333333 0.666667 0.877781 Ba\n0.666667 0.333333 0.377781 Ba\n0.666667 0.333333 0.122219 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.622219 Ba\n0.000000 0.000000 0.500000 Ba\n0.841617 0.683234 0.750000 Al\n0.683234 0.841616 0.250000 Al\n0.841617 0.158383 0.750000 Al\n0.158383 0.841616 0.250000 Al\n0.316766 0.158383 0.750000 Al\n0.158383 0.316766 0.250000 Al\n0.666667 0.333333 0.888209 Ga\n0.333333 0.666667 0.111790 Ga\n0.333333 0.666667 0.388210 Ga\n0.666667 0.333333 0.611790 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ga"
],
"chemical_system": "Al-Ba-Ga",
"density": 4.619171303859234,
"density_atomic": 0.03519107955003961,
"volume": 454.6606755058184,
"volume_molar": 17.112691162079514,
"formula_full": "Ba6 Al6 Ga4",
"formula_reduced": "Ba3Al3Ga2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.5021053937500001,
"spacegroup": 194
},
{
"id": "jvasp-56523",
"created_at": "2022-09-04T14:37:34.023764Z",
"updated_at": "2022-09-04T14:37:34.023794Z",
"structure_string": "Ba4 Al8 Ge8\n1.0\n4.315003 0.000000 0.000000\n-0.000000 10.288694 0.000000\n0.000000 0.000000 11.079972\nBa Al Ge\n4 8 8\ndirect\n0.749999 0.251704 0.675316 Ba\n0.749999 0.751704 0.824684 Ba\n0.250000 0.748295 0.324684 Ba\n0.250000 0.248295 0.175316 Ba\n0.250000 0.101072 0.452799 Al\n0.749999 0.957457 0.118663 Al\n0.250000 0.601071 0.047201 Al\n0.250000 0.542543 0.618663 Al\n0.749999 0.457457 0.381337 Al\n0.749999 0.898928 0.547201 Al\n0.250000 0.042543 0.881337 Al\n0.749999 0.398928 0.952799 Al\n0.250000 0.975520 0.656737 Ge\n0.250000 0.353817 0.459838 Ge\n0.749999 0.646182 0.540161 Ge\n0.250000 0.475520 0.843262 Ge\n0.749999 0.524480 0.156737 Ge\n0.749999 0.024480 0.343263 Ge\n0.250000 0.853817 0.040161 Ge\n0.749999 0.146182 0.959838 Ge\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ge"
],
"chemical_system": "Al-Ba-Ge",
"density": 4.544693250939024,
"density_atomic": 0.04065837151258626,
"volume": 491.9036167941152,
"volume_molar": 14.811564103436309,
"formula_full": "Ba4 Al8 Ge8",
"formula_reduced": "Ba(AlGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9106006940000002,
"spacegroup": 62
},
{
"id": "jvasp-95091",
"created_at": "2022-09-04T14:36:11.532113Z",
"updated_at": "2022-09-04T14:36:11.532124Z",
"structure_string": "Ba7 Al4 Ge9\n1.0\n6.638392 0.037429 -1.397481\n-1.491168 6.468822 -1.397437\n-0.009304 -0.011668 13.666186\nBa Al Ge\n7 4 9\ndirect\n0.624939 0.624938 0.999999 Ba\n0.170256 0.616526 0.205663 Ba\n0.045587 0.545586 0.500000 Ba\n0.616526 0.170256 0.205663 Ba\n0.964603 0.410865 0.794336 Ba\n0.545587 0.045586 0.500000 Ba\n0.410864 0.964603 0.794336 Ba\n0.934702 0.934701 0.878900 Al\n0.055797 0.055798 0.121097 Al\n0.588613 0.588611 0.599696 Al\n0.988909 0.988909 0.400305 Al\n0.416091 0.416092 0.713871 Ge\n0.702206 0.702206 0.286137 Ge\n0.103137 0.103134 0.594272 Ge\n0.824122 0.210670 -0.000001 Ge\n0.194962 0.194963 0.311725 Ge\n0.883244 0.883248 0.688271 Ge\n0.210669 0.824121 -0.000001 Ge\n0.237636 0.237637 0.000001 Ge\n0.508851 0.508850 0.405730 Ge\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ge"
],
"chemical_system": "Al-Ba-Ge",
"density": 4.870666554469182,
"density_atomic": 0.03404789618848386,
"volume": 587.407806029574,
"volume_molar": 17.68726245716436,
"formula_full": "Ba7 Al4 Ge9",
"formula_reduced": "Ba7Al4Ge9",
"formula_anonymous": "A4B7C9",
"energy_above_hull": 0.7450988270000002,
"spacegroup": 42
},
{
"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-17209",
"created_at": "2022-09-04T14:38:14.860491Z",
"updated_at": "2022-09-04T14:38:14.860517Z",
"structure_string": "Ba1 Al1 Ge1\n1.0\n2.191251 -3.795360 0.000000\n2.191251 3.795360 -0.000000\n-0.000000 -0.000000 5.170672\nBa Al Ge\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Al\n0.333333 0.666667 0.500000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ge"
],
"chemical_system": "Al-Ba-Ge",
"density": 4.574894079799316,
"density_atomic": 0.03488182237748109,
"volume": 86.00468082013776,
"volume_molar": 17.264409797258065,
"formula_full": "Ba1 Al1 Ge1",
"formula_reduced": "BaAlGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.47590824,
"spacegroup": 187
},
{
"id": "jvasp-18804",
"created_at": "2022-09-04T14:36:50.500440Z",
"updated_at": "2022-09-04T14:36:50.500462Z",
"structure_string": "Ba1 Al2 Ge2\n1.0\n4.042344 -0.000000 -1.200739\n-0.356668 4.026578 -1.200739\n-0.003143 -0.003435 7.394161\nBa Al Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750001 0.500000 Al\n0.750000 0.250001 0.500000 Al\n0.635503 0.635504 0.271005 Ge\n0.364497 0.364498 0.728994 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ge"
],
"chemical_system": "Al-Ba-Ge",
"density": 4.645009809096972,
"density_atomic": 0.04155583756040082,
"volume": 120.32003909757734,
"volume_molar": 14.491684233886282,
"formula_full": "Ba1 Al2 Ge2",
"formula_reduced": "Ba(AlGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9156126940000002,
"spacegroup": 139
},
{
"id": "jvasp-98880",
"created_at": "2022-09-04T14:35:49.238195Z",
"updated_at": "2022-09-04T14:35:49.238213Z",
"structure_string": "Ba4 Al4 H20\n1.0\n9.207352 0.000000 0.000000\n0.000000 7.042981 0.000000\n0.000000 0.000000 5.094183\nBa Al H\n4 4 20\ndirect\n0.186008 0.345454 0.253997 Ba\n0.813991 0.654545 0.753997 Ba\n0.313991 0.845454 0.753997 Ba\n0.686008 0.154545 0.253997 Ba\n0.540951 0.654210 0.228981 Al\n0.459049 0.345790 0.728981 Al\n0.959048 0.154210 0.728981 Al\n0.040951 0.845790 0.228981 Al\n0.578307 0.788084 0.501913 H\n0.859346 0.803876 0.234459 H\n0.140654 0.196124 0.734459 H\n0.793695 0.043971 0.714497 H\n0.359346 0.696124 0.234459 H\n0.206305 0.956029 0.214497 H\n0.421693 0.211915 0.001913 H\n0.640654 0.303876 0.734459 H\n0.921693 0.288084 0.001913 H\n0.916271 0.343605 0.523827 H\n0.583729 0.843605 0.023828 H\n0.416271 0.156395 0.523827 H\n0.293695 0.456029 0.714497 H\n0.083729 0.656395 0.023828 H\n0.007157 0.948692 0.909324 H\n0.992843 0.051307 0.409324 H\n0.492843 0.448692 0.409324 H\n0.507157 0.551307 0.909324 H\n0.078307 0.711915 0.501913 H\n0.706305 0.543971 0.214497 H\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Al",
"H"
],
"chemical_system": "Al-Ba-H",
"density": 3.405053712328238,
"density_atomic": 0.08476024934965735,
"volume": 330.34353030856425,
"volume_molar": 7.104911566691072,
"formula_full": "Ba4 Al4 H20",
"formula_reduced": "BaAlH5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.2685741100000003,
"spacegroup": 33
}
]
}