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=4177",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4175",
"results": [
{
"id": "jvasp-115565",
"created_at": "2022-09-04T14:38:50.366887Z",
"updated_at": "2022-09-04T14:38:50.366914Z",
"structure_string": "Ba1 Y1 Cl1\n1.0\n5.680572 2.625856 0.000000\n3.109671 7.197844 0.000000\n0.000000 0.000000 3.615665\nBa Y Cl\n1 1 1\ndirect\n-0.054447 -0.043276 0.000000 Ba\n-0.054207 0.456471 0.000000 Y\n0.445809 -0.043550 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Cl"
],
"chemical_system": "Ba-Cl-Y",
"density": 3.672797863370107,
"density_atomic": 0.02535647883584716,
"volume": 118.31295738739625,
"volume_molar": 23.749909437292736,
"formula_full": "Ba1 Y1 Cl1",
"formula_reduced": "BaYCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5897418291666666,
"spacegroup": 10
},
{
"id": "jvasp-66387",
"created_at": "2022-09-04T14:36:06.583593Z",
"updated_at": "2022-09-04T14:36:06.583609Z",
"structure_string": "Ba1 Y1 Cl1\n1.0\n0.000000 4.033728 4.033728\n4.033728 -0.000000 4.033728\n4.033728 4.033728 -0.000000\nBa Y Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Cl"
],
"chemical_system": "Ba-Cl-Y",
"density": 3.310392675305709,
"density_atomic": 0.022854484491752182,
"volume": 131.2652666080765,
"volume_molar": 26.349930413758816,
"formula_full": "Ba1 Y1 Cl1",
"formula_reduced": "BaYCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8667984958333332,
"spacegroup": 216
},
{
"id": "jvasp-66531",
"created_at": "2022-09-04T14:35:52.451178Z",
"updated_at": "2022-09-04T14:35:52.451200Z",
"structure_string": "Ba1 Y1 Cd1\n1.0\n0.000000 3.847219 3.847219\n3.847219 -0.000000 3.847219\n3.847219 3.847219 0.000000\nBa Y Cd\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Cd"
],
"chemical_system": "Ba-Cd-Y",
"density": 4.937664392141661,
"density_atomic": 0.026342108387965246,
"volume": 113.88610037648282,
"volume_molar": 22.86127090248895,
"formula_full": "Ba1 Y1 Cd1",
"formula_reduced": "BaYCd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4112670566666665,
"spacegroup": 216
},
{
"id": "jvasp-58336",
"created_at": "2022-09-04T14:37:39.597408Z",
"updated_at": "2022-09-04T14:37:39.597427Z",
"structure_string": "Ba2 Yb2 Si8 N14\n1.0\n3.061030 -5.301860 0.000000\n3.061030 5.301860 -0.000000\n0.000000 0.000000 9.917592\nYb Ba Si N\n2 2 8 14\ndirect\n0.666667 0.333333 0.765058 Yb\n0.333333 0.666667 0.265058 Yb\n0.333333 0.666667 0.636646 Ba\n0.666667 0.333333 0.136646 Ba\n0.000000 0.000000 0.686847 Si\n0.000000 0.000000 0.186847 Si\n0.174240 0.825759 0.952796 Si\n0.825759 0.651519 0.452796 Si\n0.651519 0.825759 0.952796 Si\n0.174241 0.348481 0.952796 Si\n0.825759 0.174240 0.452796 Si\n0.348481 0.174241 0.452796 Si\n0.487193 0.512807 0.903674 N\n0.025612 0.512807 0.903674 N\n0.512807 0.487193 0.403674 N\n0.512807 0.025612 0.403674 N\n0.487193 0.974388 0.903674 N\n0.974388 0.487193 0.403674 N\n0.150383 0.849616 0.124741 N\n0.150384 0.300768 0.124741 N\n0.699232 0.849616 0.124741 N\n0.300768 0.150384 0.624741 N\n0.849616 0.699232 0.624741 N\n0.000000 0.000000 0.875219 N\n0.849616 0.150383 0.624741 N\n0.000000 0.000000 0.375219 N\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Yb",
"Ba",
"Si",
"N"
],
"chemical_system": "Ba-N-Si-Yb",
"density": 5.372559291270694,
"density_atomic": 0.08076836152227289,
"volume": 321.9082263149559,
"volume_molar": 7.456064041040771,
"formula_full": "Ba2 Yb2 Si8 N14",
"formula_reduced": "BaYbSi4N7",
"formula_anonymous": "ABC4D7",
"energy_above_hull": 4.403111063076923,
"spacegroup": 186
},
{
"id": "jvasp-50888",
"created_at": "2022-09-04T14:36:45.878985Z",
"updated_at": "2022-09-04T14:36:45.879018Z",
"structure_string": "Ba2 Y2 Br10\n1.0\n2.940637 10.049113 0.011971\n-2.940637 10.049113 -0.011971\n-0.386336 0.000000 7.143737\nBa Y Br\n2 2 10\ndirect\n0.671231 0.671232 0.750000 Ba\n0.328768 0.328768 0.250000 Ba\n0.922448 0.922449 0.750000 Y\n0.077551 0.077551 0.250000 Y\n0.277038 0.784702 0.596027 Br\n0.215298 0.722961 0.096026 Br\n0.195977 0.181673 0.995438 Br\n0.369122 0.369123 0.750000 Br\n0.181672 0.195978 0.504563 Br\n0.818326 0.804022 0.495438 Br\n0.630877 0.630877 0.250000 Br\n0.804022 0.818326 0.004562 Br\n0.784701 0.277039 0.903974 Br\n0.722961 0.215299 0.403974 Br\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Br"
],
"chemical_system": "Ba-Br-Y",
"density": 4.921094756832806,
"density_atomic": 0.03315185497026594,
"volume": 422.2991447252852,
"volume_molar": 18.16532065973771,
"formula_full": "Ba2 Y2 Br10",
"formula_reduced": "BaYBr5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0638059921428572,
"spacegroup": 15
},
{
"id": "jvasp-52373",
"created_at": "2022-09-04T14:36:34.600699Z",
"updated_at": "2022-09-04T14:36:34.600715Z",
"structure_string": "Ba2 Y2 Br10\n1.0\n5.929508 3.917606 0.012137\n-5.929508 3.917606 -0.012137\n-4.314904 0.000000 10.433805\nBa Y Br\n2 2 10\ndirect\n0.485079 0.485078 0.750000 Ba\n0.514922 0.514922 0.250000 Ba\n0.000000 -0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.052227 0.620756 0.631126 Br\n0.791735 0.570904 0.024867 Br\n0.379244 0.947774 0.131125 Br\n0.056688 0.056687 0.750000 Br\n0.570904 0.791735 0.475134 Br\n0.429098 0.208266 0.524867 Br\n0.943314 0.943313 0.250000 Br\n0.620757 0.052226 0.868875 Br\n0.208266 0.429097 -0.024867 Br\n0.947775 0.379244 0.368875 Br\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Br"
],
"chemical_system": "Ba-Br-Y",
"density": 4.283535126398796,
"density_atomic": 0.028856817900781036,
"volume": 485.153978104463,
"volume_molar": 20.869039617278816,
"formula_full": "Ba2 Y2 Br10",
"formula_reduced": "BaYBr5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.072983135,
"spacegroup": 15
},
{
"id": "jvasp-64310",
"created_at": "2022-09-04T14:35:40.932487Z",
"updated_at": "2022-09-04T14:35:40.932515Z",
"structure_string": "Ba1 Y1 Br1\n1.0\n0.000000 4.167884 4.167884\n4.167884 0.000000 4.167884\n4.167884 4.167884 -0.000000\nBa Y Br\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Br"
],
"chemical_system": "Ba-Br-Y",
"density": 3.5106524847721747,
"density_atomic": 0.020717835925385553,
"volume": 144.80276853260054,
"volume_molar": 29.067421818033974,
"formula_full": "Ba1 Y1 Br1",
"formula_reduced": "BaYBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8270385083333334,
"spacegroup": 216
},
{
"id": "jvasp-66372",
"created_at": "2022-09-04T14:35:45.101914Z",
"updated_at": "2022-09-04T14:35:45.101939Z",
"structure_string": "Ba1 Y1 Bi1\n1.0\n0.000000 3.996934 3.996934\n3.996934 0.000000 3.996934\n3.996934 3.996934 -0.000000\nBa Y Bi\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Y\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Bi"
],
"chemical_system": "Ba-Bi-Y",
"density": 5.659007634404388,
"density_atomic": 0.023491477257235348,
"volume": 127.705889550901,
"volume_molar": 25.635428091884634,
"formula_full": "Ba1 Y1 Bi1",
"formula_reduced": "BaYBi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1412885733333331,
"spacegroup": 216
},
{
"id": "jvasp-41340",
"created_at": "2022-09-04T14:37:39.224007Z",
"updated_at": "2022-09-04T14:37:39.224034Z",
"structure_string": "Ba2 Yb2 Cd2 Sb4\n1.0\n4.742325 -0.000000 -0.000000\n0.000000 -0.000000 7.395827\n2.371162 -9.379123 -0.000000\nYb Ba Cd Sb\n2 2 2 4\ndirect\n0.480598 0.222214 0.038807 Yb\n0.519403 0.722215 0.961193 Yb\n0.302420 0.526541 0.395162 Ba\n0.697580 0.026539 0.604838 Ba\n0.906424 0.892470 0.187150 Cd\n0.093576 0.392469 0.812849 Cd\n0.940694 0.500823 0.118615 Sb\n0.333841 0.013814 0.332319 Sb\n0.666160 0.513815 0.667679 Sb\n0.059308 0.000822 0.881384 Sb\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb-Yb",
"density": 6.726781390486635,
"density_atomic": 0.030399028969964118,
"volume": 328.9578759203309,
"volume_molar": 19.81030632902847,
"formula_full": "Ba2 Yb2 Cd2 Sb4",
"formula_reduced": "BaYbCdSb2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.0,
"spacegroup": 36
},
{
"id": "jvasp-116628",
"created_at": "2022-09-04T14:38:44.590229Z",
"updated_at": "2022-09-04T14:38:44.590265Z",
"structure_string": "Ba2 Yb2 Al6 Si2 N8 O6\n1.0\n6.155226 -0.000000 0.000000\n-3.077613 5.330582 0.000000\n-0.000000 -0.000000 10.165202\nYb Ba Al Si N O\n2 2 6 2 8 6\ndirect\n0.666667 0.333333 0.925364 Yb\n0.333334 0.666666 0.425364 Yb\n0.666667 0.333333 0.551390 Ba\n0.333334 0.666666 0.051391 Ba\n0.165792 0.331584 0.741214 Al\n0.165793 0.834208 0.741214 Al\n0.834209 0.668415 0.241214 Al\n0.668416 0.834208 0.741214 Al\n0.834208 0.165792 0.241214 Al\n0.331585 0.165792 0.241214 Al\n0.000000 0.000000 0.000661 Si\n0.000000 0.000000 0.500661 Si\n0.000000 0.000000 0.321757 N\n0.000000 0.000000 0.821757 N\n0.301658 0.150829 0.060519 N\n0.849172 0.150829 0.060519 N\n0.150829 0.301657 0.560519 N\n0.849172 0.698342 0.060519 N\n0.150829 0.849171 0.560519 N\n0.698343 0.849171 0.560519 N\n0.512222 0.487779 0.292978 O\n0.487779 0.975557 0.792978 O\n0.487779 0.512221 0.792978 O\n0.512222 0.024442 0.292978 O\n0.024443 0.512221 0.792978 O\n0.975558 0.487779 0.292978 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Yb",
"Ba",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-Ba-N-O-Si-Yb",
"density": 5.21190530738462,
"density_atomic": 0.07795405350279665,
"volume": 333.52980161663095,
"volume_molar": 7.725243896116259,
"formula_full": "Ba2 Yb2 Al6 Si2 N8 O6",
"formula_reduced": "BaYbAl3SiN4O3",
"formula_anonymous": "ABCD3E3F4",
"energy_above_hull": 3.143346705384616,
"spacegroup": 186
},
{
"id": "jvasp-100150",
"created_at": "2022-09-04T14:36:36.200679Z",
"updated_at": "2022-09-04T14:36:36.200702Z",
"structure_string": "Ba1 Yb3\n1.0\n5.373657 0.000000 3.102483\n1.791219 5.066333 3.102483\n-0.000000 0.000000 6.204965\nYb Ba\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750001 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ba"
],
"chemical_system": "Ba-Yb",
"density": 6.4527636105424175,
"density_atomic": 0.023678652361650676,
"volume": 168.92853270983846,
"volume_molar": 25.432785058972783,
"formula_full": "Ba1 Yb3",
"formula_reduced": "BaYb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0046925,
"spacegroup": 225
},
{
"id": "jvasp-99753",
"created_at": "2022-09-04T14:36:13.549256Z",
"updated_at": "2022-09-04T14:36:13.549286Z",
"structure_string": "Ba1 Yb3\n1.0\n5.594016 0.000000 -0.000000\n0.000000 5.594016 0.000000\n0.000000 0.000000 5.594016\nYb Ba\n3 1\ndirect\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ba"
],
"chemical_system": "Ba-Yb",
"density": 6.226982608401108,
"density_atomic": 0.0228501407064531,
"volume": 175.05362664442418,
"volume_molar": 26.354939505030224,
"formula_full": "Ba1 Yb3",
"formula_reduced": "BaYb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0038374999999999,
"spacegroup": 221
}
]
}