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=54",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=52",
"results": [
{
"id": "jvasp-10909",
"created_at": "2022-09-04T14:37:16.114456Z",
"updated_at": "2022-09-04T14:37:16.114492Z",
"structure_string": "Al2 Bi3 O9\n1.0\n3.614810 0.000000 -0.000000\n0.000000 3.614810 -0.000000\n0.000000 -0.000000 13.291862\nAl Bi O\n2 3 9\ndirect\n0.500000 0.500000 0.825990 Al\n0.500000 0.500000 0.478940 Al\n0.000000 0.000000 -0.014014 Bi\n0.000000 0.000000 0.632635 Bi\n0.000000 0.000000 0.269903 Bi\n0.500000 0.000000 0.862135 O\n0.500000 0.000000 0.520619 O\n0.500000 0.000000 0.164126 O\n0.000000 0.500000 0.862135 O\n0.000000 0.500000 0.520619 O\n0.000000 0.500000 0.164126 O\n0.500000 0.500000 0.011554 O\n0.500000 0.500000 0.690093 O\n0.500000 0.500000 0.344470 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-O",
"density": 7.886658506099311,
"density_atomic": 0.08060672231531105,
"volume": 173.6827847339568,
"volume_molar": 7.471015551833334,
"formula_full": "Al2 Bi3 O9",
"formula_reduced": "Al2(BiO3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.3321078571428573,
"spacegroup": 99
},
{
"id": "jvasp-49565",
"created_at": "2022-09-04T14:37:19.366214Z",
"updated_at": "2022-09-04T14:37:19.366241Z",
"structure_string": "Al4 Bi6 O18\n1.0\n-5.257377 -0.001701 0.000586\n2.627052 5.038382 -0.028510\n0.001132 -0.805840 -13.808980\nAl Bi O\n4 6 18\ndirect\n0.970422 0.919086 0.756128 Al\n0.629687 0.247122 0.107760 Al\n0.617242 0.246302 0.607735 Al\n0.948673 0.919288 0.256136 Al\n0.333351 0.679760 0.149645 Bi\n0.697324 0.355390 0.849249 Bi\n0.019834 0.038166 0.487445 Bi\n0.657743 0.355379 0.349057 Bi\n0.346177 0.679082 0.649802 Bi\n0.018046 0.038076 0.987487 Bi\n0.737412 0.760135 0.865722 O\n0.214964 0.018924 0.646804 O\n0.374977 0.925886 0.029712 O\n0.987367 0.193777 0.345223 O\n0.653428 0.545228 0.686770 O\n0.335985 0.061591 0.210075 O\n0.989483 0.408162 0.561200 O\n0.892322 0.546177 0.186940 O\n0.123250 0.672906 0.777744 O\n0.206279 0.193635 0.845084 O\n0.804127 0.019946 0.147146 O\n0.477481 0.354784 0.503439 O\n0.549597 0.673115 0.277754 O\n0.419179 0.408805 0.061219 O\n0.022786 0.760435 0.366012 O\n0.725156 0.061148 0.710001 O\n0.551189 0.924833 0.529731 O\n0.878158 0.356114 0.003568 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-O",
"density": 7.488405098792225,
"density_atomic": 0.07653631635198678,
"volume": 365.8393993150829,
"volume_molar": 7.868344136533131,
"formula_full": "Al4 Bi6 O18",
"formula_reduced": "Al2(BiO3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.3248278571428576,
"spacegroup": 9
},
{
"id": "jvasp-34725",
"created_at": "2022-09-04T14:38:18.263296Z",
"updated_at": "2022-09-04T14:38:18.263308Z",
"structure_string": "Al8 Bi4 S16\n1.0\n7.549426 -0.000000 -0.000000\n0.000000 7.549426 0.000000\n0.000000 0.000000 12.003660\nAl Bi S\n8 4 16\ndirect\n0.500000 0.000000 0.750000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.250000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.500000 0.250000 Al\n0.000000 0.500000 0.750000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.132084 Bi\n0.000000 0.000000 0.367916 Bi\n0.500000 0.500000 0.867916 Bi\n0.000000 0.000000 0.632084 Bi\n0.663621 0.842183 0.124888 S\n0.657818 0.163621 0.375112 S\n0.842183 0.663621 0.875112 S\n0.157818 0.336380 0.875112 S\n0.657818 0.836380 0.624888 S\n0.163621 0.657818 0.624888 S\n0.157818 0.663621 0.124888 S\n0.163621 0.342182 0.375112 S\n0.663621 0.157818 0.875112 S\n0.836380 0.657818 0.375112 S\n0.342182 0.163621 0.624888 S\n0.842183 0.336380 0.124888 S\n0.336380 0.157818 0.124888 S\n0.336380 0.842183 0.875112 S\n0.342182 0.836380 0.375112 S\n0.836380 0.342182 0.624888 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"Bi",
"S"
],
"chemical_system": "Al-Bi-S",
"density": 3.7981336650640336,
"density_atomic": 0.04092761907319335,
"volume": 684.134592582234,
"volume_molar": 14.714124340412374,
"formula_full": "Al8 Bi4 S16",
"formula_reduced": "Al2BiS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7883285571428569,
"spacegroup": 126
},
{
"id": "jvasp-49701",
"created_at": "2022-09-04T14:37:19.676391Z",
"updated_at": "2022-09-04T14:37:19.676407Z",
"structure_string": "Al8 Bi4 S16\n1.0\n7.549426 0.000000 0.000000\n0.000000 7.549426 0.000000\n-0.000000 0.000000 12.003639\nAl Bi S\n8 4 16\ndirect\n0.000000 0.500000 0.750000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.000000 0.250000 Al\n0.500000 0.000000 0.750000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.132084 Bi\n0.500000 0.500000 0.367916 Bi\n0.000000 0.000000 0.867916 Bi\n0.500000 0.500000 0.632084 Bi\n0.163620 0.342182 0.124888 S\n0.157818 0.663620 0.375112 S\n0.342182 0.163620 0.875112 S\n0.657818 0.836381 0.875112 S\n0.157818 0.336380 0.624888 S\n0.663620 0.157818 0.624888 S\n0.657818 0.163620 0.124888 S\n0.663620 0.842183 0.375112 S\n0.163620 0.657818 0.875112 S\n0.336380 0.157818 0.375112 S\n0.842183 0.663620 0.624888 S\n0.342182 0.836381 0.124888 S\n0.836381 0.657818 0.124888 S\n0.836381 0.342182 0.875112 S\n0.842183 0.336380 0.375112 S\n0.336380 0.842183 0.624888 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"Bi",
"S"
],
"chemical_system": "Al-Bi-S",
"density": 3.7981403097829363,
"density_atomic": 0.040927690674813534,
"volume": 684.1333957117424,
"volume_molar": 14.714098598546046,
"formula_full": "Al8 Bi4 S16",
"formula_reduced": "Al2BiS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7883285571428569,
"spacegroup": 126
},
{
"id": "jvasp-49700",
"created_at": "2022-09-04T14:37:19.954674Z",
"updated_at": "2022-09-04T14:37:19.954701Z",
"structure_string": "Al8 Bi4 Se16\n1.0\n7.836838 0.000000 0.000000\n0.000000 7.836838 0.000000\n0.000000 -0.000000 12.583271\nAl Bi Se\n8 4 16\ndirect\n0.000000 0.500000 0.250000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.500000 0.000000 0.250000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.626323 Bi\n0.500000 0.500000 0.873677 Bi\n0.500000 0.500000 0.126323 Bi\n0.000000 0.000000 0.373677 Bi\n0.840547 0.673146 0.124698 Se\n0.159453 0.673146 0.875302 Se\n0.673146 0.840547 0.875302 Se\n0.173146 0.659453 0.375302 Se\n0.673146 0.159453 0.124698 Se\n0.826854 0.659453 0.624698 Se\n0.826854 0.340547 0.375302 Se\n0.326854 0.159453 0.875302 Se\n0.173146 0.340547 0.624698 Se\n0.326854 0.840547 0.124698 Se\n0.659453 0.826854 0.375302 Se\n0.840547 0.326854 0.875302 Se\n0.159453 0.326854 0.124698 Se\n0.340547 0.173146 0.375302 Se\n0.340547 0.826854 0.624698 Se\n0.659453 0.173146 0.624698 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"Bi",
"Se"
],
"chemical_system": "Al-Bi-Se",
"density": 4.974505609279474,
"density_atomic": 0.03623120204128415,
"volume": 772.8145471987104,
"volume_molar": 16.621421373593922,
"formula_full": "Al8 Bi4 Se16",
"formula_reduced": "Al2BiSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4909461952380954,
"spacegroup": 126
},
{
"id": "jvasp-55029",
"created_at": "2022-09-04T14:37:49.204178Z",
"updated_at": "2022-09-04T14:37:49.204195Z",
"structure_string": "Al8 Bi4 Se16\n1.0\n7.836838 0.000000 0.000000\n0.000000 7.836838 0.000000\n0.000000 0.000000 12.583271\nAl Bi Se\n8 4 16\ndirect\n0.000000 0.500000 0.750000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.000000 0.250000 Al\n0.500000 0.000000 0.750000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.126323 Bi\n0.500000 0.500000 0.373677 Bi\n0.500000 0.500000 0.626323 Bi\n0.000000 0.000000 0.873677 Bi\n0.840547 0.673147 0.624698 Se\n0.159453 0.673147 0.375302 Se\n0.673147 0.840547 0.375302 Se\n0.173146 0.659453 0.875302 Se\n0.673147 0.159453 0.624698 Se\n0.826854 0.659453 0.124698 Se\n0.826854 0.340547 0.875302 Se\n0.326854 0.159453 0.375302 Se\n0.173146 0.340547 0.124698 Se\n0.326854 0.840547 0.624698 Se\n0.659453 0.826854 0.875302 Se\n0.840547 0.326854 0.375302 Se\n0.159453 0.326854 0.624698 Se\n0.340547 0.173146 0.875302 Se\n0.340547 0.826854 0.124698 Se\n0.659453 0.173146 0.124698 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"Bi",
"Se"
],
"chemical_system": "Al-Bi-Se",
"density": 4.974505609279474,
"density_atomic": 0.03623120204128415,
"volume": 772.8145471987104,
"volume_molar": 16.621421373593922,
"formula_full": "Al8 Bi4 Se16",
"formula_reduced": "Al2BiSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4909461952380954,
"spacegroup": 126
},
{
"id": "jvasp-87857",
"created_at": "2022-09-04T14:36:11.252994Z",
"updated_at": "2022-09-04T14:36:11.253005Z",
"structure_string": "Al8 Cd12 Si12 O48\n1.0\n9.747744 -0.000000 -3.446348\n-4.873872 8.441794 -3.446348\n0.000000 0.000000 10.339044\nAl Cd Si O\n8 12 12 48\ndirect\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.499999 Al\n0.500000 0.000000 -0.000000 Al\n-0.000000 -0.000000 0.500000 Al\n-0.000000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 -0.000000 Al\n0.250000 0.375000 0.125000 Cd\n0.250000 0.875000 0.624999 Cd\n0.375000 0.750000 0.125000 Cd\n0.625000 0.250000 0.874999 Cd\n0.125000 0.250000 0.375000 Cd\n0.375000 0.125000 0.250000 Cd\n0.125000 0.375000 0.750000 Cd\n0.750000 0.125000 0.375000 Cd\n0.750000 0.625000 0.874999 Cd\n0.875000 0.625000 0.249999 Cd\n0.875000 0.750000 0.624999 Cd\n0.625000 0.875000 0.749999 Cd\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.625000 0.750000 0.374999 Si\n0.375000 0.625000 0.749999 Si\n0.750000 0.875000 0.124999 Si\n0.375000 0.250000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.875000 0.250000 0.125000 Si\n0.875000 0.125000 0.749999 Si\n0.750000 0.375000 0.624999 Si\n0.125000 0.750000 0.874999 Si\n0.250000 0.625000 0.375000 Si\n0.188573 0.195058 0.582231 O\n0.304942 0.493515 0.387173 O\n0.006485 0.311427 0.893658 O\n0.112826 0.606341 0.917768 O\n0.195058 0.582232 0.188573 O\n0.195058 0.112826 0.006485 O\n0.582232 0.188573 0.195058 O\n0.606341 0.188573 0.493514 O\n0.695058 0.688573 0.082231 O\n0.917768 0.304942 0.311427 O\n0.811427 0.804942 0.417768 O\n0.106341 0.612826 0.417768 O\n0.688573 0.082232 0.695057 O\n0.082232 0.695058 0.688572 O\n0.993514 0.804942 0.887173 O\n0.811427 0.506485 0.393658 O\n0.417768 0.106341 0.612826 O\n0.393659 0.811427 0.506485 O\n0.887173 0.993514 0.804941 O\n0.612826 0.417768 0.106341 O\n0.106341 0.993514 0.688572 O\n0.393659 0.082232 0.887173 O\n0.082232 0.887173 0.393658 O\n0.506485 0.612826 0.695057 O\n0.612826 0.695058 0.506484 O\n0.688573 0.106341 0.993514 O\n0.506485 0.393659 0.811427 O\n0.311427 0.917768 0.304942 O\n0.417768 0.811427 0.804941 O\n0.804942 0.417768 0.811426 O\n0.006485 0.195058 0.112826 O\n0.188573 0.493515 0.606341 O\n0.582232 0.893659 0.387173 O\n0.112826 0.006485 0.195058 O\n0.493515 0.606341 0.188572 O\n0.387174 0.582232 0.893658 O\n0.893659 0.006485 0.311427 O\n0.804942 0.887173 0.993514 O\n0.606341 0.917768 0.112826 O\n0.493515 0.387174 0.304942 O\n0.387174 0.304942 0.493514 O\n0.311427 0.893659 0.006485 O\n0.304942 0.311427 0.917768 O\n0.695058 0.506485 0.612826 O\n0.993514 0.688573 0.106341 O\n0.887173 0.393659 0.082231 O\n0.917768 0.112826 0.606341 O\n0.893659 0.387174 0.582231 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Al",
"Cd",
"Si",
"O"
],
"chemical_system": "Al-Cd-O-Si",
"density": 5.21081397878823,
"density_atomic": 0.09403093148064348,
"volume": 850.7838722885374,
"volume_molar": 6.4044252940742945,
"formula_full": "Al8 Cd12 Si12 O48",
"formula_reduced": "Al2Cd3(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.1486006325,
"spacegroup": 230
},
{
"id": "jvasp-13379",
"created_at": "2022-09-04T14:38:09.007541Z",
"updated_at": "2022-09-04T14:38:09.007576Z",
"structure_string": "Al4 Cd2 Cl16\n1.0\n0.000000 7.075443 0.035339\n6.435455 0.000000 0.000000\n0.000000 -0.594808 -12.841765\nAl Cd Cl\n4 2 16\ndirect\n0.438614 0.940249 0.455681 Al\n0.849948 0.432844 0.759425 Al\n0.849948 0.567157 0.259425 Al\n0.438614 0.059752 0.955681 Al\n0.999644 0.752336 0.501152 Cd\n0.999644 0.247665 0.001152 Cd\n0.592120 0.557416 0.171388 Cl\n0.592120 0.442585 0.671388 Cl\n0.946946 0.881681 0.298510 Cl\n0.946946 0.118320 0.798510 Cl\n0.216731 0.918300 0.046574 Cl\n0.216731 0.081701 0.546574 Cl\n0.836443 0.576113 0.914618 Cl\n0.697480 0.951104 0.557566 Cl\n0.697480 0.048896 0.057566 Cl\n0.083612 0.587897 0.685187 Cl\n0.343024 0.381606 0.939630 Cl\n0.343024 0.618395 0.439630 Cl\n0.464033 0.087328 0.311264 Cl\n0.464033 0.912673 0.811263 Cl\n0.836444 0.423888 0.414618 Cl\n0.083612 0.412104 0.185188 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Cd",
"Cl"
],
"chemical_system": "Al-Cd-Cl",
"density": 2.556422435346436,
"density_atomic": 0.03763271486329434,
"volume": 584.5977384283281,
"volume_molar": 16.002408494513876,
"formula_full": "Al4 Cd2 Cl16",
"formula_reduced": "Al2CdCl8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.1171488990909093,
"spacegroup": 7
},
{
"id": "jvasp-58863",
"created_at": "2022-09-04T14:38:20.248031Z",
"updated_at": "2022-09-04T14:38:20.248056Z",
"structure_string": "Al4 Cd2 Cl16\n1.0\n0.000000 7.075466 0.035365\n6.435453 0.000000 0.000000\n0.000000 -0.594877 -12.841670\nAl Cd Cl\n4 2 16\ndirect\n0.438621 0.940254 0.455660 Al\n0.849936 0.432924 0.759444 Al\n0.849936 0.567076 0.259444 Al\n0.438621 0.059745 0.955660 Al\n0.999638 0.752444 0.501144 Cd\n0.999639 0.247556 0.001144 Cd\n0.592078 0.557340 0.171427 Cl\n0.592078 0.442660 0.671427 Cl\n0.946998 0.881604 0.298487 Cl\n0.946998 0.118396 0.798487 Cl\n0.216749 0.918159 0.046497 Cl\n0.216749 0.081841 0.546497 Cl\n0.836432 0.576087 0.914669 Cl\n0.697474 0.951183 0.557550 Cl\n0.697474 0.048816 0.057550 Cl\n0.083561 0.588100 0.685223 Cl\n0.343025 0.381599 0.939682 Cl\n0.343026 0.618400 0.439682 Cl\n0.464088 0.087197 0.311212 Cl\n0.464088 0.912802 0.811212 Cl\n0.836432 0.423913 0.414669 Cl\n0.083562 0.411900 0.185223 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Cd",
"Cl"
],
"chemical_system": "Al-Cd-Cl",
"density": 2.5564343379113788,
"density_atomic": 0.037632890079184494,
"volume": 584.5950165854692,
"volume_molar": 16.002333988510138,
"formula_full": "Al4 Cd2 Cl16",
"formula_reduced": "Al2CdCl8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.1171488990909093,
"spacegroup": 7
},
{
"id": "jvasp-13341",
"created_at": "2022-09-04T14:36:56.593402Z",
"updated_at": "2022-09-04T14:36:56.593421Z",
"structure_string": "Al4 Cd2 O8\n1.0\n5.976278 -0.000000 -0.000000\n2.988139 5.175608 0.000000\n2.988139 1.725202 4.879609\nAl Cd O\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Al\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Cd\n0.395350 0.395350 0.395350 O\n0.395350 0.395350 0.813951 O\n0.395350 0.813951 0.395350 O\n0.813952 0.395350 0.395350 O\n0.436049 0.854650 0.854650 O\n0.854651 0.436048 0.854650 O\n0.854651 0.854650 0.436049 O\n0.854651 0.854650 0.854650 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cd",
"O"
],
"chemical_system": "Al-Cd-O",
"density": 5.069101492771324,
"density_atomic": 0.09275788659631778,
"volume": 150.93056249683636,
"volume_molar": 6.4923220881566115,
"formula_full": "Al4 Cd2 O8",
"formula_reduced": "Al2CdO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.429572764285714,
"spacegroup": 227
},
{
"id": "jvasp-2481",
"created_at": "2022-09-04T14:36:52.675337Z",
"updated_at": "2022-09-04T14:36:52.675358Z",
"structure_string": "Al2 Cd1 S4\n1.0\n5.039406 0.000000 -2.391539\n-1.134947 4.909939 -2.391539\n-0.022436 -0.028213 6.457964\nAl Cd S\n2 1 4\ndirect\n0.249999 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 -0.000000 Cd\n0.911596 0.904236 0.272058 S\n0.360461 0.367821 0.272058 S\n0.095763 0.639539 0.727941 S\n0.632179 0.088404 0.727941 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Cd",
"S"
],
"chemical_system": "Al-Cd-S",
"density": 3.074916010793661,
"density_atomic": 0.043994584934601955,
"volume": 159.11049076620486,
"volume_molar": 13.688368168382372,
"formula_full": "Al2 Cd1 S4",
"formula_reduced": "Al2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3184179071428572,
"spacegroup": 82
},
{
"id": "jvasp-10594",
"created_at": "2022-09-04T14:37:53.272950Z",
"updated_at": "2022-09-04T14:37:53.272968Z",
"structure_string": "Al4 Cd2 S8\n1.0\n6.336935 -0.000000 3.658631\n2.112312 5.974519 3.658631\n0.000000 0.000000 7.317262\nAl Cd S\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Al\n-0.000000 0.500000 0.500000 Al\n0.499999 0.500000 0.500000 Al\n0.499999 0.500000 0.000000 Al\n0.874999 0.875000 0.875000 Cd\n0.125000 0.125000 0.125000 Cd\n0.264431 0.264431 0.706706 S\n0.735568 0.735569 0.735569 S\n0.264431 0.264431 0.264431 S\n0.735568 0.735569 0.293294 S\n0.293293 0.735569 0.735569 S\n0.735568 0.293294 0.735569 S\n0.706705 0.264431 0.264431 S\n0.264431 0.706706 0.264431 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cd",
"S"
],
"chemical_system": "Al-Cd-S",
"density": 3.5320859581353448,
"density_atomic": 0.05053557727626916,
"volume": 277.0325531944446,
"volume_molar": 11.916635931708093,
"formula_full": "Al4 Cd2 S8",
"formula_reduced": "Al2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3208536214285715,
"spacegroup": 227
}
]
}