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_full&page=494",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=492",
"results": [
{
"id": "jvasp-107432",
"created_at": "2022-09-04T14:37:01.808420Z",
"updated_at": "2022-09-04T14:37:01.808439Z",
"structure_string": "Ba6 Y2\n1.0\n8.282687 -0.000000 0.000000\n-4.141343 7.173018 0.000000\n-0.000000 -0.000000 6.661739\nBa Y\n6 2\ndirect\n0.171340 0.342681 0.250000 Ba\n0.657320 0.828660 0.250000 Ba\n0.171341 0.828660 0.250000 Ba\n0.828661 0.657319 0.750000 Ba\n0.342681 0.171340 0.750000 Ba\n0.828660 0.171340 0.750000 Ba\n0.333334 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Y"
],
"chemical_system": "Ba-Y",
"density": 4.202985960264596,
"density_atomic": 0.0202129267907625,
"volume": 395.7863244058291,
"volume_molar": 29.793511955686572,
"formula_full": "Ba6 Y2",
"formula_reduced": "Ba3Y",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5827558399999999,
"spacegroup": 194
},
{
"id": "jvasp-107646",
"created_at": "2022-09-04T14:36:53.249426Z",
"updated_at": "2022-09-04T14:36:53.249460Z",
"structure_string": "Ba6 Yb2\n1.0\n8.470722 0.000000 0.000000\n-4.235361 7.335861 0.000000\n-0.000000 -0.000000 6.948822\nYb Ba\n2 6\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.168411 0.336821 0.250000 Ba\n0.663179 0.831589 0.250000 Ba\n0.168411 0.831589 0.250000 Ba\n0.831589 0.663179 0.750000 Ba\n0.336821 0.168411 0.750000 Ba\n0.831589 0.168411 0.750000 Ba\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Ba"
],
"chemical_system": "Ba-Yb",
"density": 4.499537124045853,
"density_atomic": 0.018527092822455123,
"volume": 431.80007120727953,
"volume_molar": 32.50451011235326,
"formula_full": "Ba6 Yb2",
"formula_reduced": "Ba3Yb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-26022",
"created_at": "2022-09-04T14:38:16.152889Z",
"updated_at": "2022-09-04T14:38:16.152914Z",
"structure_string": "Ba6 Yb2 Ru4 O18\n1.0\n2.962140 -5.130577 0.000000\n2.962140 5.130577 -0.000000\n-0.000000 -0.000000 14.350835\nYb Ba Ru O\n2 6 4 18\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.908462 Ba\n0.666667 0.333333 0.408462 Ba\n0.666667 0.333333 0.091538 Ba\n0.333333 0.666667 0.591538 Ba\n0.333333 0.666667 0.336212 Ru\n0.666667 0.333333 0.836212 Ru\n0.666667 0.333333 0.663789 Ru\n0.333333 0.666667 0.163788 Ru\n0.642945 0.821472 0.089623 O\n0.357055 0.178528 0.589623 O\n0.821472 0.642945 0.910377 O\n0.821472 0.178528 0.589623 O\n0.821472 0.642945 0.589623 O\n0.178528 0.821472 0.410377 O\n0.642945 0.821472 0.410377 O\n0.357055 0.178528 0.910377 O\n0.984230 0.492115 0.750000 O\n0.178528 0.357055 0.410377 O\n0.507885 0.015770 0.750000 O\n0.492115 0.507885 0.250000 O\n0.015770 0.507885 0.250000 O\n0.178528 0.357055 0.089623 O\n0.507885 0.492115 0.750000 O\n0.492115 0.984230 0.250000 O\n0.821472 0.178528 0.910377 O\n0.178528 0.821472 0.089623 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Yb",
"Ba",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru-Yb",
"density": 7.089610813672774,
"density_atomic": 0.06877685255016981,
"volume": 436.1932668860685,
"volume_molar": 8.756057505840504,
"formula_full": "Ba6 Yb2 Ru4 O18",
"formula_reduced": "Ba3YbRu2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.256565407333333,
"spacegroup": 194
},
{
"id": "jvasp-97445",
"created_at": "2022-09-04T14:36:05.912309Z",
"updated_at": "2022-09-04T14:36:05.912329Z",
"structure_string": "Ba6 Zn10 In4 O22\n1.0\n8.257721 0.000000 4.767597\n2.752574 7.785454 4.767597\n0.000000 0.000000 9.535194\nBa Zn In O\n6 10 4 22\ndirect\n0.294113 0.294113 0.705887 Ba\n0.294113 0.705886 0.294114 Ba\n0.705887 0.294113 0.294114 Ba\n0.705887 0.705886 0.294114 Ba\n0.294113 0.705886 0.705887 Ba\n0.705887 0.294113 0.705887 Ba\n0.418502 0.081498 0.081498 Zn\n0.751112 0.082962 0.082963 Zn\n0.418502 0.081498 0.418502 Zn\n0.081498 0.418502 0.418502 Zn\n0.081498 0.418502 0.081498 Zn\n0.418502 0.418502 0.081498 Zn\n0.082962 0.082962 0.751112 Zn\n0.082962 0.751112 0.082963 Zn\n0.082962 0.082962 0.082963 Zn\n0.081498 0.081498 0.418502 Zn\n0.834878 0.834878 0.834879 In\n0.834878 0.834878 0.495364 In\n0.834879 0.495364 0.834879 In\n0.495363 0.834878 0.834879 In\n0.671330 0.333633 0.997518 O\n0.667825 0.996523 0.667826 O\n0.667825 0.667825 0.996524 O\n0.342390 0.342390 0.972830 O\n0.997518 0.997517 0.333634 O\n0.333633 0.671330 0.997518 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.997518 0.671330 0.997518 O\n0.997518 0.333633 0.997518 O\n0.342390 0.972830 0.342391 O\n0.972830 0.342390 0.342390 O\n0.997518 0.997517 0.671331 O\n0.667825 0.667825 0.667826 O\n0.671330 0.997517 0.997518 O\n0.333633 0.997517 0.997518 O\n0.333633 0.997517 0.671331 O\n0.342390 0.342390 0.342390 O\n0.997518 0.671330 0.333634 O\n0.671330 0.997517 0.333634 O\n0.997518 0.333633 0.671331 O\n0.996523 0.667825 0.667826 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"In",
"O"
],
"chemical_system": "Ba-In-O-Zn",
"density": 6.2012633154156,
"density_atomic": 0.06851341393675466,
"volume": 613.0186424335908,
"volume_molar": 8.789725126759983,
"formula_full": "Ba6 Zn10 In4 O22",
"formula_reduced": "Ba3Zn5In2O11",
"formula_anonymous": "A2B3C5D11",
"energy_above_hull": 0.9238623023809522,
"spacegroup": 216
},
{
"id": "jvasp-116715",
"created_at": "2022-09-04T14:38:44.133760Z",
"updated_at": "2022-09-04T14:38:44.133777Z",
"structure_string": "Ba6 Zn2 Ru2 Ir2 O18\n1.0\n5.816679 0.000000 0.000000\n-2.908340 5.037391 0.000000\n-0.000000 -0.000000 14.261742\nBa Zn Ru Ir O\n6 2 2 2 18\ndirect\n0.000000 0.000000 0.249119 Ba\n0.000000 0.000000 0.750881 Ba\n0.333333 0.666666 0.587180 Ba\n0.666667 0.333333 0.412820 Ba\n0.666667 0.333333 0.085759 Ba\n0.333333 0.666666 0.914241 Ba\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.666667 0.333333 0.657729 Ru\n0.333333 0.666666 0.342271 Ru\n0.333333 0.666666 0.161059 Ir\n0.666667 0.333333 0.838941 Ir\n0.172768 0.827232 0.415932 O\n0.345536 0.172768 0.584068 O\n0.827232 0.654464 0.584068 O\n0.827232 0.172768 0.584068 O\n0.342777 0.171388 0.915939 O\n0.828612 0.657222 0.915939 O\n0.828612 0.171388 0.915939 O\n0.657223 0.828612 0.084061 O\n0.019764 0.509882 0.251677 O\n0.171388 0.828612 0.084061 O\n0.980236 0.490118 0.748323 O\n0.509882 0.019764 0.748323 O\n0.509882 0.490118 0.748323 O\n0.172768 0.345536 0.415932 O\n0.490118 0.980236 0.251677 O\n0.490118 0.509882 0.251677 O\n0.171388 0.342777 0.084061 O\n0.654464 0.827232 0.415932 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Ba",
"Zn",
"Ru",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O-Ru-Zn",
"density": 7.269272558575496,
"density_atomic": 0.0717906556610185,
"volume": 417.88168284259945,
"volume_molar": 8.38847438367937,
"formula_full": "Ba6 Zn2 Ru2 Ir2 O18",
"formula_reduced": "Ba3ZnIrRuO9",
"formula_anonymous": "ABCD3E9",
"energy_above_hull": 2.226654094,
"spacegroup": 164
},
{
"id": "jvasp-50194",
"created_at": "2022-09-04T14:37:05.762820Z",
"updated_at": "2022-09-04T14:37:05.762845Z",
"structure_string": "Ba6 Zr1 O8\n1.0\n-0.000000 5.429332 5.429332\n5.429332 -0.000000 5.429332\n5.429332 5.429332 -0.000000\nBa Zr O\n6 1 8\ndirect\n0.500000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.500000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Zr\n0.799450 0.200550 0.200550 O\n0.250000 0.250000 0.250000 O\n0.200550 0.799450 0.200550 O\n0.200550 0.200550 0.799450 O\n0.799450 0.799450 0.200550 O\n0.799450 0.200550 0.799450 O\n0.750000 0.750000 0.750000 O\n0.200550 0.799450 0.799450 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"O"
],
"chemical_system": "Ba-O-Zr",
"density": 5.411774047632483,
"density_atomic": 0.04686213443180389,
"volume": 320.0878530581817,
"volume_molar": 12.850760711217111,
"formula_full": "Ba6 Zr1 O8",
"formula_reduced": "Ba6ZrO8",
"formula_anonymous": "AB6C8",
"energy_above_hull": 1.6360892213333336,
"spacegroup": 225
},
{
"id": "jvasp-113041",
"created_at": "2022-09-04T14:38:43.670326Z",
"updated_at": "2022-09-04T14:38:43.670337Z",
"structure_string": "Ba6 Zr2 Ir4 O18\n1.0\n5.849788 0.000000 0.000000\n-2.924894 5.066064 0.000000\n-0.000000 -0.000000 14.547022\nBa Zr Ir O\n6 2 4 18\ndirect\n0.333334 0.666666 0.093544 Ba\n0.666667 0.333333 0.906456 Ba\n0.666667 0.333333 0.593544 Ba\n0.333334 0.666666 0.406456 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.333334 0.666666 0.839280 Ir\n0.666667 0.333333 0.160720 Ir\n0.666667 0.333333 0.339280 Ir\n0.333334 0.666666 0.660720 Ir\n0.017058 0.508528 0.750000 O\n0.982943 0.491471 0.250000 O\n0.491472 0.982941 0.750000 O\n0.508529 0.017058 0.250000 O\n0.169135 0.830864 0.918165 O\n0.830865 0.169135 0.081834 O\n0.661731 0.830864 0.918165 O\n0.830865 0.169135 0.418166 O\n0.661731 0.830864 0.581834 O\n0.169135 0.830864 0.581834 O\n0.169135 0.338270 0.918165 O\n0.338270 0.169135 0.418166 O\n0.830866 0.661729 0.081834 O\n0.508529 0.491471 0.250000 O\n0.830866 0.661729 0.418166 O\n0.169135 0.338270 0.581834 O\n0.338270 0.169135 0.081834 O\n0.491472 0.508528 0.750000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Zr",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O-Zr",
"density": 7.947301270672153,
"density_atomic": 0.06958832127606236,
"volume": 431.106821516611,
"volume_molar": 8.653953205897427,
"formula_full": "Ba6 Zr2 Ir4 O18",
"formula_reduced": "Ba3ZrIr2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.696693074,
"spacegroup": 194
},
{
"id": "jvasp-95478",
"created_at": "2022-09-04T14:36:16.543646Z",
"updated_at": "2022-09-04T14:36:16.543659Z",
"structure_string": "Ba6 Zr2 Ru4 O18\n1.0\n5.838544 0.000000 -0.000000\n-2.919271 5.056327 -0.000000\n0.000000 0.000000 14.381409\nBa Zr Ru O\n6 2 4 18\ndirect\n0.333333 0.666667 0.907054 Ba\n0.666667 0.333333 0.092947 Ba\n0.666667 0.333333 0.407053 Ba\n0.333333 0.666667 0.592947 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.662945 Ru\n0.333333 0.666667 0.162945 Ru\n0.666667 0.333333 0.837055 Ru\n0.333333 0.666667 0.337055 Ru\n0.829667 0.170333 0.583233 O\n0.829667 0.659336 0.583233 O\n0.489952 0.979904 0.250000 O\n0.510048 0.489952 0.750000 O\n0.659335 0.829668 0.083233 O\n0.979903 0.489952 0.750000 O\n0.020096 0.510049 0.250000 O\n0.170333 0.340665 0.416767 O\n0.489951 0.510049 0.250000 O\n0.170333 0.340665 0.083233 O\n0.510048 0.020096 0.750000 O\n0.829667 0.659336 0.916767 O\n0.340665 0.170333 0.916767 O\n0.829667 0.170333 0.916767 O\n0.340665 0.170333 0.583233 O\n0.659335 0.829668 0.416767 O\n0.170333 0.829668 0.083233 O\n0.170333 0.829668 0.416767 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Zr",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru-Zr",
"density": 6.643842351927816,
"density_atomic": 0.07066105332493401,
"volume": 424.5620265812534,
"volume_molar": 8.522574284743898,
"formula_full": "Ba6 Zr2 Ru4 O18",
"formula_reduced": "Ba3ZrRu2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.668226327333333,
"spacegroup": 194
},
{
"id": "jvasp-85210",
"created_at": "2022-09-04T14:37:06.002154Z",
"updated_at": "2022-09-04T14:37:06.002177Z",
"structure_string": "Ba7 Al10\n1.0\n5.978383 -0.004006 15.612464\n2.883703 5.236921 15.612464\n-0.006786 -0.004006 16.717956\nBa Al\n7 10\ndirect\n0.359499 0.359499 0.359500 Ba\n0.051930 0.051930 0.051930 Ba\n0.948069 0.948068 0.948072 Ba\n0.129076 0.129076 0.129077 Ba\n0.870923 0.870922 0.870925 Ba\n0.640500 0.640500 0.640502 Ba\n0.500000 0.499999 0.500001 Ba\n0.284153 0.284153 0.284154 Al\n0.200929 0.200929 0.200930 Al\n0.888438 0.418904 0.418906 Al\n0.111561 0.581095 0.581096 Al\n0.581095 0.111561 0.581096 Al\n0.799070 0.799070 0.799072 Al\n0.418904 0.888437 0.418906 Al\n0.581095 0.581095 0.111563 Al\n0.715846 0.715846 0.715848 Al\n0.418904 0.418904 0.888440 Al\n",
"nsites": 17,
"nelements": 2,
"elements": [
"Ba",
"Al"
],
"chemical_system": "Al-Ba",
"density": 3.8987032741620165,
"density_atomic": 0.03242090459192253,
"volume": 524.3530436296169,
"volume_molar": 18.574869627482197,
"formula_full": "Ba7 Al10",
"formula_reduced": "Ba7Al10",
"formula_anonymous": "A7B10",
"energy_above_hull": 1.0991917523529413,
"spacegroup": 166
},
{
"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-34780",
"created_at": "2022-09-04T14:37:08.961341Z",
"updated_at": "2022-09-04T14:37:08.961368Z",
"structure_string": "Ba7 Cl2 F12\n1.0\n5.359756 -9.283371 -0.000000\n5.359756 9.283371 -0.000000\n-0.000000 0.000000 4.181231\nBa Cl F\n7 2 12\ndirect\n0.889168 0.590697 0.000000 Ba\n0.597007 0.711143 0.500000 Ba\n0.114136 0.402993 0.500000 Ba\n0.288858 0.885865 0.500000 Ba\n0.409303 0.298471 0.000000 Ba\n0.701530 0.110833 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Cl\n0.333333 0.666667 0.000000 Cl\n0.121668 0.844789 0.000000 F\n0.431922 0.062558 0.000000 F\n0.937443 0.369363 0.000000 F\n0.630637 0.568079 0.000000 F\n0.882007 0.783396 0.500000 F\n0.385993 0.436301 0.500000 F\n0.216605 0.098611 0.500000 F\n0.563700 0.949693 0.500000 F\n0.155211 0.276878 0.000000 F\n0.050308 0.614007 0.500000 F\n0.901389 0.117994 0.500000 F\n0.723123 0.878333 0.000000 F\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ba",
"Cl",
"F"
],
"chemical_system": "Ba-Cl-F",
"density": 5.029158957726199,
"density_atomic": 0.05047012860776617,
"volume": 416.08770532771325,
"volume_molar": 11.93208919042329,
"formula_full": "Ba7 Cl2 F12",
"formula_reduced": "Ba7(ClF6)2",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 0.0579985526190475,
"spacegroup": 174
},
{
"id": "jvasp-97613",
"created_at": "2022-09-04T14:35:58.276202Z",
"updated_at": "2022-09-04T14:35:58.276221Z",
"structure_string": "Ba7 Ir6 O19\n1.0\n5.808647 0.000000 0.000000\n-2.904323 7.385456 -1.244606\n0.000000 0.019467 11.121155\nBa Ir O\n7 6 19\ndirect\n0.801486 0.602971 0.408238 Ba\n0.198515 0.397030 0.591762 Ba\n0.572629 0.145257 0.162505 Ba\n0.427373 0.854744 0.837495 Ba\n0.854652 0.709302 0.053832 Ba\n0.145350 0.290700 0.946168 Ba\n0.500000 0.000000 0.500000 Ba\n0.021978 0.043956 0.323259 Ir\n0.343406 0.686811 0.217632 Ir\n0.656596 0.313190 0.782369 Ir\n0.181466 0.362932 0.265822 Ir\n0.818535 0.637069 0.734178 Ir\n0.978024 0.956045 0.676741 Ir\n0.991659 0.517802 0.837117 O\n0.473857 0.482199 0.162883 O\n0.359745 0.249021 0.368974 O\n0.000000 0.000000 0.500000 O\n0.889277 0.249021 0.368974 O\n0.526144 0.517802 0.837117 O\n0.008343 0.482199 0.162883 O\n0.176600 0.855042 0.293746 O\n0.321558 0.144959 0.706254 O\n0.823402 0.144959 0.706254 O\n0.678444 0.855042 0.293746 O\n0.394924 0.789847 0.062504 O\n0.605077 0.210154 0.937497 O\n0.054648 0.109297 0.148942 O\n0.945353 0.890704 0.851058 O\n0.702595 0.405189 0.612165 O\n0.297407 0.594812 0.387835 O\n0.640257 0.750980 0.631026 O\n0.110725 0.750980 0.631026 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ba",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O",
"density": 8.41548590418449,
"density_atomic": 0.06705322836105428,
"volume": 477.23280119628333,
"volume_molar": 8.981134700290983,
"formula_full": "Ba7 Ir6 O19",
"formula_reduced": "Ba7Ir6O19",
"formula_anonymous": "A6B7C19",
"energy_above_hull": 2.8354001528125,
"spacegroup": 12
}
]
}