HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": null,
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=4642",
"results": [
{
"id": "jvasp-59313",
"created_at": "2022-09-04T14:38:04.582874Z",
"updated_at": "2022-09-04T14:38:04.582893Z",
"structure_string": "Ca12 Al8 Si12 O48\n1.0\n9.742989 -0.000000 -3.444667\n-4.871494 8.437675 -3.444667\n0.000000 0.000000 10.334000\nCa Al Si O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.250001 0.875000 0.625000 Ca\n0.875001 0.625000 0.250000 Ca\n0.625001 0.875000 0.750000 Ca\n0.875001 0.750000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.375001 0.750000 0.125000 Ca\n0.750000 0.125000 0.375000 Ca\n0.125000 0.375000 0.750000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.250000 0.375000 Ca\n0.750001 0.625000 0.875000 Ca\n0.500000 0.000000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.625001 0.750000 0.375000 Si\n0.750001 0.875000 0.125000 Si\n0.625000 0.375000 0.250000 Si\n0.125001 0.875000 0.250000 Si\n0.125001 0.750000 0.875000 Si\n0.375000 0.250000 0.625000 Si\n0.750000 0.375000 0.625000 Si\n0.375001 0.625000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.875000 0.125000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.605582 0.916524 0.113132 O\n0.394419 0.810943 0.507551 O\n0.386868 0.303392 0.492449 O\n0.303392 0.492449 0.386868 O\n0.894419 0.007551 0.310942 O\n0.113133 0.605582 0.916524 O\n0.196609 0.583477 0.189058 O\n0.310943 0.894419 0.007551 O\n0.507551 0.394419 0.810942 O\n0.916524 0.303392 0.310942 O\n0.810943 0.803392 0.416523 O\n0.394419 0.083476 0.886868 O\n0.689058 0.105581 0.992449 O\n0.803392 0.416524 0.810942 O\n0.886868 0.394419 0.083476 O\n0.105582 0.992450 0.689058 O\n0.696609 0.507551 0.613132 O\n0.416524 0.105581 0.613132 O\n0.613133 0.696609 0.507551 O\n0.886869 0.992450 0.803391 O\n0.083477 0.886868 0.394419 O\n0.803392 0.886868 0.992449 O\n0.992450 0.689058 0.105581 O\n0.992450 0.803392 0.886868 O\n0.689058 0.083476 0.696608 O\n0.105582 0.613132 0.416524 O\n0.416524 0.810943 0.803391 O\n0.583477 0.894419 0.386868 O\n0.083477 0.696609 0.689058 O\n0.696609 0.689058 0.083476 O\n0.303392 0.310943 0.916524 O\n0.605581 0.189058 0.492449 O\n0.189058 0.492449 0.605581 O\n0.386868 0.583477 0.894419 O\n0.492449 0.386868 0.303391 O\n0.113132 0.007551 0.196608 O\n0.916524 0.113132 0.605581 O\n0.583477 0.189058 0.196608 O\n0.196609 0.113132 0.007551 O\n0.007551 0.196609 0.113132 O\n0.310943 0.916524 0.303391 O\n0.894419 0.386868 0.583476 O\n0.492450 0.605582 0.189058 O\n0.507551 0.613132 0.696608 O\n0.613133 0.416524 0.105581 O\n0.810943 0.507551 0.394419 O\n0.007551 0.310943 0.894419 O\n0.189058 0.196609 0.583476 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.5218327231965616,
"density_atomic": 0.09416868898548741,
"volume": 849.5392774590821,
"volume_molar": 6.395056387509109,
"formula_full": "Ca12 Al8 Si12 O48",
"formula_reduced": "Ca3Al2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.389565233,
"spacegroup": 230
},
{
"id": "jvasp-21042",
"created_at": "2022-09-04T14:38:12.743802Z",
"updated_at": "2022-09-04T14:38:12.743826Z",
"structure_string": "Ca12 Co8 Ge12 O48\n1.0\n9.978903 -0.000000 -3.528075\n-4.989451 8.641983 -3.528075\n0.000000 0.000000 10.584225\nCa Co Ge O\n12 8 12 48\ndirect\n0.625000 0.250000 0.874999 Ca\n0.875000 0.750000 0.624999 Ca\n0.750000 0.625000 0.874999 Ca\n0.250000 0.875000 0.624999 Ca\n0.875000 0.625000 0.249999 Ca\n0.625000 0.875000 0.749999 Ca\n0.375000 0.750000 0.124999 Ca\n0.125000 0.250000 0.375000 Ca\n0.250000 0.375000 0.125000 Ca\n0.750000 0.125000 0.374999 Ca\n0.125000 0.375000 0.749999 Ca\n0.375000 0.125000 0.250000 Ca\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n0.500000 0.000000 -0.000000 Co\n0.500000 0.500000 0.499999 Co\n0.500000 0.000000 0.499999 Co\n0.500000 0.500000 -0.000001 Co\n-0.000000 0.500000 0.499999 Co\n0.250000 0.125000 0.874999 Ge\n0.625000 0.375000 0.249999 Ge\n0.375000 0.625000 0.749999 Ge\n0.750000 0.375000 0.624999 Ge\n0.625000 0.750000 0.374999 Ge\n0.875000 0.250000 0.124999 Ge\n0.750000 0.875000 0.124999 Ge\n0.125000 0.750000 0.874999 Ge\n0.250000 0.625000 0.374999 Ge\n0.125000 0.875000 0.249999 Ge\n0.875000 0.125000 0.749999 Ge\n0.375000 0.250000 0.624999 Ge\n0.917868 0.116000 0.597761 O\n0.320106 0.902238 0.018239 O\n0.301869 0.481761 0.383999 O\n0.301869 0.320106 0.917868 O\n0.481761 0.384000 0.301868 O\n0.902238 0.384000 0.582130 O\n0.384000 0.301869 0.481760 O\n0.198131 0.116000 0.018239 O\n0.116000 0.597762 0.917868 O\n0.179894 0.198131 0.582131 O\n0.902238 0.018239 0.320105 O\n0.018239 0.320106 0.902238 O\n0.597762 0.917868 0.115999 O\n0.179894 0.481761 0.597761 O\n0.582131 0.902238 0.383999 O\n0.320106 0.917868 0.301868 O\n0.481760 0.597762 0.179893 O\n0.384000 0.582131 0.902237 O\n0.917868 0.301869 0.320105 O\n0.018239 0.198131 0.116000 O\n0.198131 0.582131 0.179893 O\n0.582131 0.179894 0.198131 O\n0.801868 0.884000 0.981759 O\n0.616000 0.698131 0.518238 O\n0.820106 0.801868 0.417868 O\n0.801868 0.417869 0.820105 O\n0.082131 0.884000 0.402237 O\n0.679894 0.097762 0.981760 O\n0.698131 0.518239 0.615999 O\n0.698131 0.679894 0.082130 O\n0.518239 0.616000 0.698130 O\n0.097762 0.616000 0.417868 O\n0.116000 0.018239 0.198131 O\n0.402238 0.820106 0.518238 O\n0.884000 0.981760 0.801867 O\n0.981760 0.801868 0.883998 O\n0.082131 0.698131 0.679893 O\n0.616000 0.417869 0.097761 O\n0.518239 0.402238 0.820105 O\n0.679894 0.082131 0.698131 O\n0.417869 0.097762 0.616000 O\n0.820106 0.518239 0.402237 O\n0.402238 0.082131 0.883999 O\n0.097762 0.981760 0.679893 O\n0.597762 0.179894 0.481760 O\n0.981760 0.679894 0.097761 O\n0.884000 0.402238 0.082130 O\n0.417869 0.820106 0.801868 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Co",
"Ge",
"O"
],
"chemical_system": "Ca-Co-Ge-O",
"density": 4.715607636602344,
"density_atomic": 0.08764652758492154,
"volume": 912.7572101756941,
"volume_molar": 6.870940499228668,
"formula_full": "Ca12 Co8 Ge12 O48",
"formula_reduced": "Ca3Co2(GeO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.2053161455,
"spacegroup": 230
},
{
"id": "jvasp-21043",
"created_at": "2022-09-04T14:38:14.888837Z",
"updated_at": "2022-09-04T14:38:14.888861Z",
"structure_string": "Ca12 Ge12 Mo8 O48\n1.0\n10.296961 -0.000000 -3.640525\n-5.148479 8.917429 -3.640525\n0.000000 0.000000 10.921576\nCa Ge Mo O\n12 12 8 48\ndirect\n0.625000 0.250000 0.875000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.750000 0.125000 0.375000 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.750000 0.125000 Ca\n0.250000 0.375000 0.125000 Ca\n0.875000 0.625000 0.249999 Ca\n0.250000 0.875000 0.625000 Ca\n0.750000 0.625000 0.875000 Ca\n0.875000 0.750000 0.625000 Ca\n0.625000 0.875000 0.750000 Ca\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.625000 0.750000 0.375000 Ge\n0.125000 0.875000 0.250000 Ge\n0.750000 0.875000 0.124999 Ge\n0.125000 0.750000 0.875000 Ge\n0.250000 0.625000 0.375000 Ge\n0.875000 0.125000 0.750000 Ge\n0.375000 0.250000 0.625000 Ge\n-0.000000 -0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 -0.000000 Mo\n0.500000 0.000000 -0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.500000 0.500000 -0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.911417 0.121086 0.600314 O\n0.311103 0.899686 0.020773 O\n0.290331 0.479227 0.378914 O\n0.290331 0.311103 0.911417 O\n0.479227 0.378914 0.290331 O\n0.899686 0.378914 0.588582 O\n0.378914 0.290331 0.479227 O\n0.209669 0.121086 0.020773 O\n0.121086 0.600314 0.911417 O\n0.188897 0.209669 0.588583 O\n0.020773 0.311103 0.899686 O\n0.209669 0.588583 0.188896 O\n0.899686 0.020773 0.311103 O\n0.600314 0.911417 0.121086 O\n0.188897 0.479227 0.600314 O\n0.588583 0.899686 0.378913 O\n0.311103 0.911417 0.290331 O\n0.479227 0.600314 0.188896 O\n0.378914 0.588583 0.899686 O\n0.911417 0.290331 0.311103 O\n0.020773 0.209669 0.121086 O\n0.588583 0.188897 0.209669 O\n0.790331 0.878914 0.979226 O\n0.621086 0.709669 0.520773 O\n0.811103 0.790331 0.411417 O\n0.790331 0.411417 0.811103 O\n0.088583 0.878914 0.399686 O\n0.688897 0.100314 0.979227 O\n0.709669 0.520773 0.621086 O\n0.709669 0.688897 0.088582 O\n0.520773 0.621086 0.709669 O\n0.100314 0.621086 0.411417 O\n0.121086 0.020773 0.209669 O\n0.399686 0.811103 0.520773 O\n0.878914 0.979227 0.790331 O\n0.979227 0.790331 0.878913 O\n0.088583 0.709669 0.688897 O\n0.621086 0.411417 0.100314 O\n0.520773 0.399686 0.811103 O\n0.688897 0.088583 0.709669 O\n0.411417 0.100314 0.621086 O\n0.811103 0.520773 0.399686 O\n0.399686 0.088583 0.878914 O\n0.100314 0.979227 0.688897 O\n0.600314 0.188897 0.479227 O\n0.979227 0.688897 0.100313 O\n0.878914 0.399686 0.088582 O\n0.411417 0.811103 0.790331 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Ge",
"Mo",
"O"
],
"chemical_system": "Ca-Ge-Mo-O",
"density": 4.782206951354795,
"density_atomic": 0.0797730040338154,
"volume": 1002.8455236070635,
"volume_molar": 7.549096129622049,
"formula_full": "Ca12 Ge12 Mo8 O48",
"formula_reduced": "Ca3Ge3(MoO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.5402711455,
"spacegroup": 230
},
{
"id": "jvasp-60156",
"created_at": "2022-09-04T14:38:18.065431Z",
"updated_at": "2022-09-04T14:38:18.065448Z",
"structure_string": "Zn12 Ge12 Sb8 O48\n1.0\n10.308412 0.000000 -3.644574\n-5.154206 8.927346 -3.644574\n-0.000000 -0.000000 10.933721\nZn Ge Sb O\n12 12 8 48\ndirect\n0.625000 0.250000 0.875000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.375000 0.750000 Zn\n0.750000 0.125000 0.375000 Zn\n0.125000 0.250000 0.375000 Zn\n0.375000 0.750000 0.125000 Zn\n0.250000 0.375000 0.125000 Zn\n0.875000 0.625000 0.250000 Zn\n0.250000 0.875000 0.625000 Zn\n0.750000 0.625000 0.875000 Zn\n0.875000 0.750000 0.625000 Zn\n0.625000 0.875000 0.750000 Zn\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.625000 0.750000 0.375000 Ge\n0.125000 0.875000 0.250000 Ge\n0.750000 0.875000 0.125001 Ge\n0.125000 0.750000 0.875000 Ge\n0.250000 0.625000 0.375000 Ge\n0.875000 0.125000 0.750000 Ge\n0.375000 0.250000 0.625000 Ge\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n-0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.907390 0.133813 0.601543 O\n0.305847 0.898457 0.032271 O\n0.273578 0.467729 0.366187 O\n0.273578 0.305848 0.907391 O\n0.467729 0.366187 0.273578 O\n0.898457 0.366187 0.592610 O\n0.366187 0.273578 0.467729 O\n0.226422 0.133813 0.032271 O\n0.133813 0.601543 0.907391 O\n0.194152 0.226422 0.592609 O\n0.032271 0.305848 0.898457 O\n0.226422 0.592610 0.194153 O\n0.898457 0.032271 0.305848 O\n0.601543 0.907391 0.133813 O\n0.194152 0.467729 0.601543 O\n0.592609 0.898457 0.366188 O\n0.305847 0.907391 0.273578 O\n0.467729 0.601543 0.194153 O\n0.366187 0.592610 0.898457 O\n0.907390 0.273578 0.305848 O\n0.032271 0.226422 0.133813 O\n0.592609 0.194153 0.226422 O\n0.773578 0.866188 0.967730 O\n0.633813 0.726422 0.532271 O\n0.805847 0.773578 0.407391 O\n0.773578 0.407391 0.805848 O\n0.092609 0.866188 0.398457 O\n0.694152 0.101543 0.967729 O\n0.726422 0.532271 0.633813 O\n0.726422 0.694153 0.092610 O\n0.532271 0.633813 0.726422 O\n0.101543 0.633813 0.407391 O\n0.133813 0.032271 0.226422 O\n0.398457 0.805848 0.532271 O\n0.866187 0.967730 0.773578 O\n0.967729 0.773578 0.866188 O\n0.092609 0.726422 0.694153 O\n0.633813 0.407391 0.101543 O\n0.532271 0.398457 0.805848 O\n0.694152 0.092609 0.726422 O\n0.407391 0.101543 0.633813 O\n0.805847 0.532271 0.398457 O\n0.398457 0.092609 0.866187 O\n0.101543 0.967730 0.694153 O\n0.601543 0.194153 0.467729 O\n0.967729 0.694153 0.101544 O\n0.866187 0.398457 0.092610 O\n0.407390 0.805848 0.773578 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Zn",
"Ge",
"Sb",
"O"
],
"chemical_system": "Ge-O-Sb-Zn",
"density": 5.608826901137828,
"density_atomic": 0.07950745724064916,
"volume": 1006.1949253119747,
"volume_molar": 7.574309340282999,
"formula_full": "Zn12 Ge12 Sb8 O48",
"formula_reduced": "Zn3Ge3(SbO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 1.8148786625,
"spacegroup": 230
},
{
"id": "jvasp-60092",
"created_at": "2022-09-04T14:38:36.037451Z",
"updated_at": "2022-09-04T14:38:36.037472Z",
"structure_string": "Zn12 Si12 Bi8 O48\n1.0\n10.177866 -0.000000 -3.598420\n-5.088933 8.814291 -3.598420\n0.000000 0.000000 10.795257\nZn Si Bi O\n12 12 8 48\ndirect\n0.375000 0.750000 0.125000 Zn\n0.250000 0.375000 0.125000 Zn\n0.625000 0.875000 0.750000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.250000 0.875000 Zn\n0.750000 0.625000 0.875000 Zn\n0.250000 0.875000 0.625000 Zn\n0.875000 0.750000 0.625000 Zn\n0.125000 0.375000 0.750000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.250000 0.375000 Zn\n0.750000 0.125000 0.375000 Zn\n0.375000 0.625000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.750000 0.875000 0.125000 Si\n0.125000 0.750000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.375000 0.250000 0.625000 Si\n0.250000 0.125000 0.875000 Si\n0.875000 0.125000 0.750000 Si\n0.500000 0.500000 0.000000 Bi\n0.500000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n-0.000000 -0.000000 0.500000 Bi\n0.000000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.974902 0.708876 0.106823 O\n0.868079 0.393177 0.102053 O\n0.766026 0.397947 0.791124 O\n0.766026 0.868078 0.974902 O\n0.397947 0.791124 0.766026 O\n0.393177 0.791124 0.525099 O\n0.791124 0.766026 0.397947 O\n0.733975 0.708876 0.102053 O\n0.708876 0.106823 0.974902 O\n0.631922 0.733974 0.525099 O\n0.102053 0.868078 0.393177 O\n0.733975 0.525098 0.631922 O\n0.393177 0.102053 0.868079 O\n0.106823 0.974902 0.708876 O\n0.631922 0.397947 0.106823 O\n0.525099 0.393177 0.791124 O\n0.868079 0.974902 0.766026 O\n0.397947 0.106823 0.631922 O\n0.791124 0.525098 0.393177 O\n0.974902 0.766026 0.868079 O\n0.102053 0.733974 0.708876 O\n0.525099 0.631921 0.733975 O\n0.266026 0.291124 0.897947 O\n0.208876 0.233974 0.602053 O\n0.368079 0.266026 0.474902 O\n0.266026 0.474902 0.368079 O\n0.025098 0.291124 0.893177 O\n0.131922 0.606823 0.897947 O\n0.233975 0.602053 0.208876 O\n0.233975 0.131921 0.025098 O\n0.602053 0.208876 0.233975 O\n0.606823 0.208876 0.474902 O\n0.708876 0.102053 0.733975 O\n0.893177 0.368078 0.602053 O\n0.291124 0.897947 0.266026 O\n0.897947 0.266026 0.291124 O\n0.025098 0.233974 0.131922 O\n0.208876 0.474902 0.606823 O\n0.602053 0.893177 0.368079 O\n0.131922 0.025098 0.233975 O\n0.474902 0.606823 0.208876 O\n0.368079 0.602053 0.893177 O\n0.893177 0.025098 0.291124 O\n0.606824 0.897947 0.131922 O\n0.106823 0.631921 0.397947 O\n0.897947 0.131921 0.606823 O\n0.291124 0.893177 0.025098 O\n0.474902 0.368078 0.266026 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-O-Si-Zn",
"density": 6.107102880883915,
"density_atomic": 0.08260624629677735,
"volume": 968.4497672559294,
"volume_molar": 7.290176021755557,
"formula_full": "Zn12 Si12 Bi8 O48",
"formula_reduced": "Zn3Si3(BiO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.14231438,
"spacegroup": 230
},
{
"id": "jvasp-60090",
"created_at": "2022-09-04T14:38:36.628018Z",
"updated_at": "2022-09-04T14:38:36.628029Z",
"structure_string": "Zn12 Si12 Sb8 O48\n1.0\n10.074197 -0.000000 -3.561767\n-5.037098 8.724511 -3.561767\n0.000000 0.000000 10.685299\nZn Si Sb O\n12 12 8 48\ndirect\n0.375000 0.750000 0.125000 Zn\n0.250000 0.375000 0.125000 Zn\n0.625000 0.875000 0.750000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.250000 0.875000 Zn\n0.750000 0.625000 0.875000 Zn\n0.250000 0.875000 0.625000 Zn\n0.875000 0.750000 0.625000 Zn\n0.125000 0.375000 0.750000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.250000 0.375000 Zn\n0.750000 0.125000 0.375000 Zn\n0.375000 0.625000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.750000 0.875000 0.124999 Si\n0.125000 0.750000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.375000 0.250000 0.625000 Si\n0.250000 0.125000 0.875000 Si\n0.875000 0.125000 0.750000 Si\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n-0.000000 0.500000 0.500000 Sb\n-0.000000 -0.000000 0.500000 Sb\n-0.000000 0.500000 -0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.975667 0.705175 0.105999 O\n0.869667 0.394000 0.099175 O\n0.770493 0.400825 0.794825 O\n0.770493 0.869667 0.975666 O\n0.400825 0.794825 0.770493 O\n0.394000 0.794825 0.524333 O\n0.794825 0.770493 0.400825 O\n0.729507 0.705175 0.099175 O\n0.705175 0.106000 0.975667 O\n0.630333 0.729507 0.524333 O\n0.099175 0.869667 0.394000 O\n0.729507 0.524333 0.630333 O\n0.394000 0.099175 0.869667 O\n0.106000 0.975667 0.705175 O\n0.630333 0.400825 0.106000 O\n0.524333 0.394000 0.794825 O\n0.869667 0.975667 0.770492 O\n0.400825 0.106000 0.630333 O\n0.794825 0.524333 0.394000 O\n0.975667 0.770493 0.869666 O\n0.099175 0.729507 0.705175 O\n0.524333 0.630333 0.729507 O\n0.270493 0.294825 0.900825 O\n0.205175 0.229507 0.599175 O\n0.369667 0.270493 0.475667 O\n0.270493 0.475667 0.369667 O\n0.024333 0.294825 0.894000 O\n0.130333 0.606000 0.900825 O\n0.229507 0.599175 0.205175 O\n0.229507 0.130333 0.024333 O\n0.599175 0.205175 0.229507 O\n0.606000 0.205175 0.475667 O\n0.705175 0.099175 0.729507 O\n0.894000 0.369667 0.599175 O\n0.294825 0.900825 0.270493 O\n0.900825 0.270493 0.294825 O\n0.024333 0.229507 0.130333 O\n0.205175 0.475667 0.606000 O\n0.599175 0.894000 0.369666 O\n0.130333 0.024333 0.229507 O\n0.475667 0.606000 0.205175 O\n0.369667 0.599175 0.894000 O\n0.894000 0.024333 0.294825 O\n0.606000 0.900825 0.130333 O\n0.106000 0.630333 0.400825 O\n0.900825 0.130333 0.606000 O\n0.294825 0.894000 0.024333 O\n0.475667 0.369667 0.270493 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Sb",
"O"
],
"chemical_system": "O-Sb-Si-Zn",
"density": 5.06385957503001,
"density_atomic": 0.08518277304014844,
"volume": 939.1570284087172,
"volume_molar": 7.069669776025767,
"formula_full": "Zn12 Si12 Sb8 O48",
"formula_reduced": "Zn3Si3(SbO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.23272106,
"spacegroup": 230
},
{
"id": "jvasp-60094",
"created_at": "2022-09-04T14:38:36.647225Z",
"updated_at": "2022-09-04T14:38:36.647236Z",
"structure_string": "Ca12 Si12 Bi8 O48\n1.0\n10.441373 -0.000000 -3.691584\n-5.220687 9.042495 -3.691584\n0.000000 0.000000 11.074749\nCa Si Bi O\n12 12 8 48\ndirect\n0.375000 0.750000 0.125000 Ca\n0.250000 0.375000 0.125000 Ca\n0.625000 0.875000 0.750001 Ca\n0.875000 0.625000 0.250001 Ca\n0.625000 0.250000 0.875000 Ca\n0.750000 0.625000 0.875001 Ca\n0.250000 0.875000 0.625001 Ca\n0.875000 0.750000 0.625001 Ca\n0.125000 0.375000 0.750000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.250000 0.375000 Ca\n0.750000 0.125000 0.375000 Ca\n0.375000 0.625000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375001 Si\n0.875000 0.250000 0.125000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.750000 0.875000 0.125001 Si\n0.125000 0.750000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.375000 0.250000 0.625000 Si\n0.250000 0.125000 0.875000 Si\n0.875000 0.125000 0.750000 Si\n0.500000 0.500000 0.000000 Bi\n0.500000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.500000 -0.000000 0.500000 Bi\n-0.000000 0.500000 0.500000 Bi\n-0.000000 -0.000000 0.500000 Bi\n-0.000000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.982606 0.710771 0.109392 O\n0.873215 0.390609 0.101380 O\n0.771836 0.398621 0.789229 O\n0.771836 0.873216 0.982607 O\n0.398620 0.789229 0.771837 O\n0.390608 0.789229 0.517394 O\n0.789229 0.771837 0.398621 O\n0.728163 0.710771 0.101380 O\n0.710771 0.109392 0.982607 O\n0.626785 0.728164 0.517394 O\n0.101380 0.873216 0.390609 O\n0.728163 0.517394 0.626785 O\n0.390608 0.101380 0.873215 O\n0.109391 0.982607 0.710772 O\n0.626785 0.398621 0.109392 O\n0.517393 0.390609 0.789229 O\n0.873215 0.982607 0.771837 O\n0.398620 0.109392 0.626785 O\n0.789229 0.517394 0.390609 O\n0.982606 0.771837 0.873216 O\n0.101380 0.728164 0.710772 O\n0.517393 0.626785 0.728164 O\n0.271836 0.289229 0.898621 O\n0.210771 0.228164 0.601380 O\n0.373215 0.271837 0.482607 O\n0.271836 0.482607 0.373216 O\n0.017393 0.289229 0.890609 O\n0.126785 0.609392 0.898621 O\n0.228163 0.601380 0.210771 O\n0.228163 0.126785 0.017393 O\n0.601379 0.210771 0.228164 O\n0.609391 0.210771 0.482607 O\n0.710771 0.101380 0.728164 O\n0.890608 0.373215 0.601380 O\n0.289229 0.898621 0.271837 O\n0.898620 0.271837 0.289229 O\n0.017393 0.228164 0.126785 O\n0.210771 0.482607 0.609392 O\n0.601379 0.890609 0.373216 O\n0.126785 0.017393 0.228164 O\n0.482606 0.609392 0.210772 O\n0.373215 0.601380 0.890609 O\n0.890608 0.017393 0.289229 O\n0.609391 0.898621 0.126785 O\n0.109391 0.626785 0.398621 O\n0.898620 0.126785 0.609392 O\n0.289229 0.890609 0.017394 O\n0.482606 0.373215 0.271837 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O-Si",
"density": 5.173573107842063,
"density_atomic": 0.07650859156163672,
"volume": 1045.6342009060581,
"volume_molar": 7.8711954266580015,
"formula_full": "Ca12 Si12 Bi8 O48",
"formula_reduced": "Ca3Si3(BiO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.318404883,
"spacegroup": 230
},
{
"id": "jvasp-60091",
"created_at": "2022-09-04T14:38:36.738383Z",
"updated_at": "2022-09-04T14:38:36.738408Z",
"structure_string": "Ca12 Si12 Ag8 O48\n1.0\n10.131343 -0.000000 -3.581971\n-5.065671 8.774001 -3.581971\n0.000000 0.000000 10.745912\nCa Si Ag O\n12 12 8 48\ndirect\n0.375000 0.750000 0.125000 Ca\n0.250000 0.375000 0.125000 Ca\n0.625000 0.875000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.625000 0.250000 0.875000 Ca\n0.750000 0.625000 0.875000 Ca\n0.250000 0.875000 0.625000 Ca\n0.875000 0.750000 0.625000 Ca\n0.125000 0.375000 0.750000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.250000 0.375000 Ca\n0.750000 0.125000 0.375000 Ca\n0.375000 0.625000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.750000 0.875000 0.125000 Si\n0.125000 0.750000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.375000 0.250000 0.625000 Si\n0.250000 0.125000 0.875000 Si\n0.875000 0.125000 0.750000 Si\n0.500000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.500000 -0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n-0.000000 -0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.983880 0.703068 0.106691 O\n0.877189 0.393310 0.096378 O\n0.780811 0.403622 0.796931 O\n0.780811 0.877189 0.983880 O\n0.403622 0.796931 0.780811 O\n0.393309 0.796931 0.516120 O\n0.796931 0.780811 0.403622 O\n0.719188 0.703068 0.096378 O\n0.703068 0.106690 0.983880 O\n0.622810 0.719188 0.516120 O\n0.096378 0.877189 0.393310 O\n0.719188 0.516120 0.622810 O\n0.393309 0.096378 0.877189 O\n0.106690 0.983880 0.703068 O\n0.622810 0.403622 0.106691 O\n0.516120 0.393310 0.796931 O\n0.877189 0.983880 0.780811 O\n0.403622 0.106690 0.622810 O\n0.796931 0.516120 0.393310 O\n0.983880 0.780811 0.877189 O\n0.096378 0.719188 0.703068 O\n0.516120 0.622810 0.719188 O\n0.280811 0.296931 0.903622 O\n0.203068 0.219188 0.596378 O\n0.377189 0.280811 0.483880 O\n0.280811 0.483880 0.377190 O\n0.016120 0.296931 0.893309 O\n0.122810 0.606690 0.903622 O\n0.219188 0.596378 0.203069 O\n0.219188 0.122810 0.016120 O\n0.596378 0.203068 0.219188 O\n0.606690 0.203068 0.483880 O\n0.703068 0.096378 0.719188 O\n0.893309 0.377189 0.596378 O\n0.296931 0.903622 0.280812 O\n0.903622 0.280811 0.296931 O\n0.016120 0.219188 0.122810 O\n0.203068 0.483880 0.606690 O\n0.596378 0.893309 0.377190 O\n0.122810 0.016120 0.219188 O\n0.483880 0.606690 0.203069 O\n0.377189 0.596378 0.893309 O\n0.893309 0.016120 0.296931 O\n0.606690 0.903622 0.122811 O\n0.106690 0.622810 0.403622 O\n0.903622 0.122810 0.606690 O\n0.296931 0.893309 0.016120 O\n0.483880 0.377189 0.280812 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Si",
"Ag",
"O"
],
"chemical_system": "Ag-Ca-O-Si",
"density": 4.257046665432843,
"density_atomic": 0.08374945873183971,
"volume": 955.2300541565859,
"volume_molar": 7.1906623053917285,
"formula_full": "Ca12 Si12 Ag8 O48",
"formula_reduced": "Ca3Si3(AgO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.187651679,
"spacegroup": 230
}
]
}