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=3425",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3423",
"results": [
{
"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-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-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-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-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-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-96072",
"created_at": "2022-09-04T14:36:01.445126Z",
"updated_at": "2022-09-04T14:36:01.445151Z",
"structure_string": "Ba2 Al4 Cl16\n1.0\n7.199588 0.000000 0.000000\n0.000000 7.225849 -1.566906\n0.000000 -0.042752 12.543314\nBa Al Cl\n2 4 16\ndirect\n0.136396 0.500000 0.250000 Ba\n0.863604 0.500000 0.750000 Ba\n0.283094 0.710924 0.946239 Al\n0.283094 0.289077 0.553760 Al\n0.716906 0.289077 0.053761 Al\n0.716906 0.710924 0.446239 Al\n0.794209 0.579155 0.101766 Cl\n0.205791 0.420846 0.898233 Cl\n0.205791 0.579155 0.601766 Cl\n0.442860 0.242613 0.111897 Cl\n0.442860 0.757388 0.388102 Cl\n0.557140 0.757388 0.888102 Cl\n0.557140 0.242613 0.611897 Cl\n0.919050 0.862682 0.373080 Cl\n0.080950 0.862682 0.873080 Cl\n0.714305 0.206958 0.877784 Cl\n0.714305 0.793042 0.622215 Cl\n0.285695 0.793042 0.122215 Cl\n0.285695 0.206958 0.377784 Cl\n0.794209 0.420846 0.398233 Cl\n0.919050 0.137318 0.126919 Cl\n0.080950 0.137318 0.626919 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Cl"
],
"chemical_system": "Al-Ba-Cl",
"density": 2.4188359666470327,
"density_atomic": 0.0337392141188067,
"volume": 652.060238348495,
"volume_molar": 17.84908426969903,
"formula_full": "Ba2 Al4 Cl16",
"formula_reduced": "Ba(AlCl4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.2575485554545454,
"spacegroup": 13
},
{
"id": "jvasp-55256",
"created_at": "2022-09-04T14:38:35.692485Z",
"updated_at": "2022-09-04T14:38:35.692513Z",
"structure_string": "Ba4 Ag8 Te8\n1.0\n4.658548 0.000000 0.000000\n0.000000 10.934132 0.000000\n0.000000 0.000000 11.905487\nBa Ag Te\n4 8 8\ndirect\n0.750000 0.741955 0.805207 Ba\n0.250000 0.258045 0.194793 Ba\n0.750000 0.241955 0.694793 Ba\n0.250000 0.758045 0.305207 Ba\n0.250000 0.564112 0.587742 Ag\n0.750000 0.435888 0.412258 Ag\n0.750000 0.935888 0.087742 Ag\n0.250000 0.064112 0.912258 Ag\n0.750000 0.441022 0.953083 Ag\n0.750000 0.941021 0.546917 Ag\n0.250000 0.058978 0.453083 Ag\n0.250000 0.558978 0.046917 Ag\n0.750000 0.025662 0.311477 Te\n0.250000 0.817039 0.016221 Te\n0.750000 0.182961 0.983779 Te\n0.750000 0.682961 0.516222 Te\n0.250000 0.317039 0.483779 Te\n0.750000 0.525662 0.188523 Te\n0.250000 0.474338 0.811477 Te\n0.250000 0.974338 0.688523 Te\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Te"
],
"chemical_system": "Ag-Ba-Te",
"density": 6.662216192287582,
"density_atomic": 0.03297979435995322,
"volume": 606.4319195478564,
"volume_molar": 18.260091904370935,
"formula_full": "Ba4 Ag8 Te8",
"formula_reduced": "Ba(AgTe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0616212046666666,
"spacegroup": 62
},
{
"id": "jvasp-15982",
"created_at": "2022-09-04T14:36:20.813172Z",
"updated_at": "2022-09-04T14:36:20.813190Z",
"structure_string": "Ba1 Ag2 Sn2\n1.0\n4.543867 0.000000 -1.772997\n-0.691816 4.490893 -1.772997\n0.001751 0.002042 6.713536\nBa Ag Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Ag\n0.249999 0.749999 0.500000 Ag\n0.626230 0.626230 0.252459 Sn\n0.373769 0.373769 0.747540 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Sn"
],
"chemical_system": "Ag-Ba-Sn",
"density": 7.15554756602716,
"density_atomic": 0.036488506427430914,
"volume": 137.0294509024123,
"volume_molar": 16.504212831996718,
"formula_full": "Ba1 Ag2 Sn2",
"formula_reduced": "Ba(AgSn)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-114114",
"created_at": "2022-09-04T14:38:52.212267Z",
"updated_at": "2022-09-04T14:38:52.212298Z",
"structure_string": "Ba1 Ag1 Se1\n1.0\n0.000000 3.766681 3.766681\n3.766681 0.000000 3.766681\n3.766681 3.766681 -0.000000\nBa Ag Se\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Se"
],
"chemical_system": "Ag-Ba-Se",
"density": 5.036114208790691,
"density_atomic": 0.02806821114631603,
"volume": 106.88247941279121,
"volume_molar": 21.455377860054362,
"formula_full": "Ba1 Ag1 Se1",
"formula_reduced": "BaAgSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1037701044444444,
"spacegroup": 216
}
]
}