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=nsites&page=4608",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4606",
"results": [
{
"id": "jvasp-29472",
"created_at": "2022-09-04T14:37:52.573898Z",
"updated_at": "2022-09-04T14:37:52.573928Z",
"structure_string": "Fe2 As8 F36\n1.0\n7.264374 -0.099342 0.000000\n-0.320081 7.292926 0.000000\n0.000000 0.000000 12.349409\nFe As F\n2 8 36\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.525425 0.437007 0.792841 As\n0.000000 0.500000 0.000000 As\n0.500000 0.000000 0.500000 As\n0.974574 0.062993 0.292841 As\n0.000000 0.500000 0.500000 As\n0.025426 0.937007 0.707159 As\n0.474574 0.562993 0.207159 As\n0.500000 0.000000 0.000000 As\n0.430778 0.217080 0.955443 F\n0.763585 0.434895 0.459541 F\n0.263586 0.934895 0.040459 F\n0.236414 0.565106 0.540459 F\n0.569222 0.782920 0.044557 F\n0.930778 0.717081 0.544557 F\n0.069222 0.282920 0.455443 F\n0.362355 0.758597 0.245721 F\n0.044165 0.592286 0.371687 F\n0.544165 0.092286 0.128313 F\n0.955835 0.407715 0.628313 F\n0.736414 0.065106 0.959541 F\n0.137645 0.741404 0.745721 F\n0.575032 0.547668 0.658256 F\n0.924968 0.952333 0.158256 F\n0.455835 0.907715 0.871687 F\n0.862355 0.258597 0.254279 F\n0.772553 0.447455 0.044043 F\n0.272554 0.947455 0.455957 F\n0.307797 0.352268 0.748449 F\n0.192203 0.147732 0.248449 F\n0.692203 0.647733 0.251551 F\n0.807797 0.852268 0.751551 F\n0.935255 0.730246 0.961867 F\n0.564744 0.769755 0.461867 F\n0.064744 0.269755 0.038133 F\n0.435255 0.230246 0.538133 F\n0.936543 0.422324 0.870339 F\n0.563457 0.077676 0.370339 F\n0.063457 0.577676 0.129661 F\n0.436543 0.922325 0.629661 F\n0.075032 0.047667 0.841744 F\n0.727446 0.052545 0.544043 F\n0.227446 0.552546 0.955957 F\n0.637644 0.241404 0.754279 F\n0.424968 0.452333 0.341744 F\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Fe",
"As",
"F"
],
"chemical_system": "As-F-Fe",
"density": 3.5427419769934856,
"density_atomic": 0.0703513434170651,
"volume": 653.8610034395135,
"volume_molar": 8.560093478668684,
"formula_full": "Fe2 As8 F36",
"formula_reduced": "FeAs4F18",
"formula_anonymous": "AB4C18",
"energy_above_hull": 0.4639594602173912,
"spacegroup": 14
},
{
"id": "jvasp-23881",
"created_at": "2022-09-04T14:37:40.533745Z",
"updated_at": "2022-09-04T14:37:40.533776Z",
"structure_string": "K8 Al6 Si6 Cl2 O24\n1.0\n9.347795 0.000000 -0.000000\n-0.000000 9.347795 -0.000000\n0.000000 -0.000000 9.347795\nK Al Si Cl O\n8 6 6 2 24\ndirect\n0.313524 0.313524 0.686477 K\n0.813524 0.813524 0.186476 K\n0.686477 0.313524 0.313524 K\n0.813524 0.186476 0.813524 K\n0.313524 0.686477 0.313524 K\n0.186476 0.186476 0.186476 K\n0.686477 0.686477 0.686477 K\n0.186476 0.813524 0.813524 K\n0.750000 0.500000 0.000000 Al\n0.000000 0.750000 0.500000 Al\n0.000000 0.250000 0.500000 Al\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.500000 0.000000 0.250000 Al\n0.250000 0.000000 0.500000 Si\n0.500000 0.750000 0.000000 Si\n0.500000 0.250000 0.000000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.750000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.346357 0.023151 0.644445 O\n0.023151 0.355555 0.653643 O\n0.976850 0.355555 0.346357 O\n0.644445 0.346357 0.023151 O\n0.355555 0.653643 0.023151 O\n0.476850 0.153643 0.144445 O\n0.144445 0.476850 0.153643 O\n0.855556 0.523151 0.153643 O\n0.476850 0.846357 0.855556 O\n0.855556 0.476850 0.846357 O\n0.523151 0.846357 0.144445 O\n0.653643 0.976850 0.644445 O\n0.144445 0.523151 0.846357 O\n0.153643 0.855556 0.523151 O\n0.846357 0.144445 0.523151 O\n0.846357 0.855556 0.476850 O\n0.355555 0.346357 0.976850 O\n0.644445 0.653643 0.976850 O\n0.023151 0.644445 0.346357 O\n0.976850 0.644445 0.653643 O\n0.653643 0.023151 0.355555 O\n0.153643 0.144445 0.476850 O\n0.523151 0.153643 0.855556 O\n0.346357 0.976850 0.355555 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"K",
"Al",
"Si",
"Cl",
"O"
],
"chemical_system": "Al-Cl-K-O-Si",
"density": 2.2323157929483877,
"density_atomic": 0.05631580452954116,
"volume": 816.8222115315804,
"volume_molar": 10.693518116821027,
"formula_full": "K8 Al6 Si6 Cl2 O24",
"formula_reduced": "K4Al3Si3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.076413142065217,
"spacegroup": 218
},
{
"id": "jvasp-23952",
"created_at": "2022-09-04T14:37:41.363224Z",
"updated_at": "2022-09-04T14:37:41.363234Z",
"structure_string": "Na8 Al6 Si6 I2 O24\n1.0\n9.060153 -0.000000 0.000000\n0.000000 9.060153 -0.000000\n-0.000000 -0.000000 9.060153\nNa Al Si I O\n8 6 6 2 24\ndirect\n0.696186 0.303814 0.303814 Na\n0.303814 0.303814 0.696186 Na\n0.196186 0.803814 0.803814 Na\n0.803814 0.196186 0.803814 Na\n0.696186 0.696186 0.696186 Na\n0.303814 0.696186 0.303814 Na\n0.196186 0.196186 0.196186 Na\n0.803814 0.803814 0.196186 Na\n0.750000 0.500000 0.000000 Al\n0.000000 0.750000 0.500000 Al\n0.000000 0.250000 0.500000 Al\n0.500000 0.000000 0.250000 Al\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.500000 0.750000 0.000000 Si\n0.250000 0.000000 0.500000 Si\n0.750000 0.000000 0.500000 Si\n0.500000 0.250000 0.000000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.500000 0.500000 0.500000 I\n0.000000 0.000000 0.000000 I\n0.555143 0.849075 0.141083 O\n0.641083 0.349076 0.055143 O\n0.650924 0.944857 0.641083 O\n0.358917 0.650924 0.055143 O\n0.444857 0.150924 0.141083 O\n0.849075 0.141083 0.555143 O\n0.055143 0.358917 0.650924 O\n0.555143 0.150924 0.858917 O\n0.349076 0.944857 0.358917 O\n0.944857 0.641083 0.650924 O\n0.858917 0.555143 0.150924 O\n0.141083 0.555143 0.849075 O\n0.849075 0.858917 0.444857 O\n0.944857 0.358917 0.349076 O\n0.055143 0.641083 0.349076 O\n0.858917 0.444857 0.849075 O\n0.150924 0.141083 0.444857 O\n0.150924 0.858917 0.555143 O\n0.141083 0.444857 0.150924 O\n0.641083 0.650924 0.944857 O\n0.349076 0.055143 0.641083 O\n0.358917 0.349076 0.944857 O\n0.650924 0.055143 0.358917 O\n0.444857 0.849075 0.858917 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Al",
"Si",
"I",
"O"
],
"chemical_system": "Al-I-Na-O-Si",
"density": 2.572398841377291,
"density_atomic": 0.061851642426549974,
"volume": 743.7150930086601,
"volume_molar": 9.736428207466615,
"formula_full": "Na8 Al6 Si6 I2 O24",
"formula_reduced": "Na4Al3Si3IO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.104959933695652,
"spacegroup": 218
},
{
"id": "jvasp-23953",
"created_at": "2022-09-04T14:37:36.333329Z",
"updated_at": "2022-09-04T14:37:36.333339Z",
"structure_string": "Na8 Ga6 Si6 Cl2 O24\n1.0\n9.002544 0.000000 0.000000\n-0.000000 9.002544 -0.000000\n-0.000000 0.000000 9.002544\nNa Ga Si Cl O\n8 6 6 2 24\ndirect\n0.671511 0.328489 0.328489 Na\n0.328489 0.328489 0.671511 Na\n0.328489 0.671511 0.328489 Na\n0.171511 0.171511 0.171511 Na\n0.671511 0.671511 0.671511 Na\n0.828489 0.171511 0.828489 Na\n0.828489 0.828489 0.171511 Na\n0.171511 0.828489 0.828489 Na\n0.250000 0.000000 0.500000 Ga\n0.000000 0.500000 0.750000 Ga\n0.000000 0.500000 0.250000 Ga\n0.500000 0.250000 0.000000 Ga\n0.500000 0.750000 0.000000 Ga\n0.750000 0.000000 0.500000 Ga\n0.000000 0.250000 0.500000 Si\n0.000000 0.750000 0.500000 Si\n0.750000 0.500000 0.000000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.250000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.849543 0.576259 0.133021 O\n0.150456 0.423740 0.133021 O\n0.576259 0.866979 0.150456 O\n0.349543 0.633021 0.076259 O\n0.650456 0.366979 0.076259 O\n0.923740 0.349543 0.366979 O\n0.076259 0.349543 0.633021 O\n0.366979 0.076259 0.650456 O\n0.366979 0.923740 0.349543 O\n0.133021 0.150456 0.423740 O\n0.576259 0.133021 0.849543 O\n0.849543 0.423740 0.866979 O\n0.133021 0.849543 0.576259 O\n0.866979 0.150456 0.576259 O\n0.866979 0.849543 0.423740 O\n0.349543 0.366979 0.923740 O\n0.650456 0.633021 0.923740 O\n0.076259 0.650456 0.366979 O\n0.923740 0.650456 0.633021 O\n0.633021 0.076259 0.349543 O\n0.633021 0.923740 0.650456 O\n0.423740 0.866979 0.849543 O\n0.150456 0.576259 0.866979 O\n0.423740 0.133021 0.150456 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Ga",
"Si",
"Cl",
"O"
],
"chemical_system": "Cl-Ga-Na-O-Si",
"density": 2.789482361656256,
"density_atomic": 0.06304665849401629,
"volume": 729.6183667587367,
"volume_molar": 9.551879360222646,
"formula_full": "Na8 Ga6 Si6 Cl2 O24",
"formula_reduced": "Na4Ga3Si3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 1.792597601847826,
"spacegroup": 218
},
{
"id": "jvasp-25369",
"created_at": "2022-09-04T14:37:50.897309Z",
"updated_at": "2022-09-04T14:37:50.897336Z",
"structure_string": "Si46\n1.0\n10.274140 0.000000 0.000000\n-0.000000 10.274140 0.000000\n-0.000000 0.000000 10.274140\nSi\n46\ndirect\n0.000000 0.882935 0.308121 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.250000 0.500000 Si\n0.000000 0.750000 0.500000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.816346 0.816346 0.816346 Si\n0.183654 0.183654 0.183654 Si\n0.183654 0.183654 0.816346 Si\n0.183654 0.816346 0.183654 Si\n0.316346 0.316346 0.683654 Si\n0.816346 0.816346 0.183654 Si\n0.816346 0.183654 0.816346 Si\n0.683654 0.683654 0.316346 Si\n0.816346 0.183654 0.183654 Si\n0.683654 0.683654 0.683654 Si\n0.183654 0.816346 0.816346 Si\n0.316346 0.316346 0.316346 Si\n0.316346 0.683654 0.316346 Si\n0.683654 0.316346 0.683654 Si\n0.250000 0.500000 0.000000 Si\n0.808121 0.382935 0.500000 Si\n0.191879 0.617065 0.500000 Si\n0.808121 0.617065 0.500000 Si\n0.000000 0.117065 0.691879 Si\n0.000000 0.117065 0.308121 Si\n0.000000 0.882935 0.691879 Si\n0.308121 0.000000 0.882935 Si\n0.382935 0.500000 0.191879 Si\n0.691879 0.000000 0.117065 Si\n0.617065 0.500000 0.808121 Si\n0.308121 0.000000 0.117065 Si\n0.617065 0.500000 0.191879 Si\n0.683654 0.316346 0.316346 Si\n0.691879 0.000000 0.882935 Si\n0.882935 0.308121 0.000000 Si\n0.500000 0.808121 0.617065 Si\n0.117065 0.691879 0.000000 Si\n0.500000 0.191879 0.382935 Si\n0.882935 0.691879 0.000000 Si\n0.500000 0.191879 0.617065 Si\n0.117065 0.308121 0.000000 Si\n0.500000 0.808121 0.382935 Si\n0.191879 0.382935 0.500000 Si\n0.382935 0.500000 0.808121 Si\n0.316346 0.683654 0.683654 Si\n",
"nsites": 46,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 1.978120078198709,
"density_atomic": 0.04241518774887947,
"volume": 1084.5171845600337,
"volume_molar": 14.19807639578135,
"formula_full": "Si46",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.1087899999999999,
"spacegroup": 223
},
{
"id": "jvasp-22783",
"created_at": "2022-09-04T14:37:40.601540Z",
"updated_at": "2022-09-04T14:37:40.601562Z",
"structure_string": "Be6 Cd8 Si6 Se2 O24\n1.0\n8.585742 -0.000000 0.000000\n0.000000 8.585742 0.000000\n-0.000000 0.000000 8.585742\nBe Cd Si Se O\n6 8 6 2 24\ndirect\n0.250000 0.500000 0.000000 Be\n0.500000 0.000000 0.750000 Be\n0.500000 0.000000 0.250000 Be\n0.000000 0.250000 0.500000 Be\n0.000000 0.750000 0.500000 Be\n0.750000 0.500000 0.000000 Be\n0.324394 0.324394 0.675606 Cd\n0.175606 0.175606 0.175606 Cd\n0.675606 0.675606 0.675606 Cd\n0.824394 0.175606 0.824394 Cd\n0.824394 0.824394 0.175606 Cd\n0.675606 0.324394 0.324394 Cd\n0.324394 0.675606 0.324394 Cd\n0.175606 0.824394 0.824394 Cd\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.250000 0.000000 0.500000 Si\n0.500000 0.250000 0.000000 Si\n0.500000 0.750000 0.000000 Si\n0.750000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.500000 Se\n0.355425 0.644345 0.068787 O\n0.355655 0.068787 0.644574 O\n0.068787 0.355425 0.644345 O\n0.068787 0.644574 0.355655 O\n0.644345 0.931213 0.644574 O\n0.931213 0.644574 0.644345 O\n0.644345 0.068787 0.355425 O\n0.355655 0.931213 0.355425 O\n0.931213 0.355425 0.355655 O\n0.144345 0.855425 0.568787 O\n0.855655 0.144574 0.568787 O\n0.855425 0.431213 0.855655 O\n0.568787 0.144345 0.855425 O\n0.144574 0.568787 0.855655 O\n0.144574 0.431213 0.144345 O\n0.355425 0.355655 0.931213 O\n0.144345 0.144574 0.431213 O\n0.855655 0.855425 0.431213 O\n0.568787 0.855655 0.144574 O\n0.431213 0.855655 0.855425 O\n0.855425 0.568787 0.144345 O\n0.644574 0.355655 0.068787 O\n0.431213 0.144345 0.144574 O\n0.644574 0.644345 0.931213 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Be",
"Cd",
"Si",
"Se",
"O"
],
"chemical_system": "Be-Cd-O-Se-Si",
"density": 4.365273056555881,
"density_atomic": 0.07268157503926204,
"volume": 632.8976769580344,
"volume_molar": 8.285649776778895,
"formula_full": "Be6 Cd8 Si6 Se2 O24",
"formula_reduced": "Be3Cd4Si3SeO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 1.9808655855072463,
"spacegroup": 218
},
{
"id": "jvasp-32677",
"created_at": "2022-09-04T14:36:37.471142Z",
"updated_at": "2022-09-04T14:36:37.471171Z",
"structure_string": "H28 C6 N2 F10\n1.0\n5.970814 -0.053061 1.988746\n-0.065216 6.604996 0.714573\n-0.018484 -0.121249 9.920972\nH C N F\n28 6 2 10\ndirect\n0.499743 0.939591 0.805497 H\n0.428999 0.608261 0.244184 H\n0.766176 0.592052 0.663885 H\n0.776003 0.327217 0.058299 H\n0.406285 0.634268 0.631459 H\n0.251096 0.082568 0.034072 H\n0.927817 0.144247 0.784370 H\n0.630341 0.925654 0.616638 H\n0.369278 0.412406 0.147039 H\n0.807844 0.697990 0.390282 H\n0.500257 0.060410 0.194503 H\n0.233823 0.407948 0.336115 H\n0.223996 0.672784 0.941701 H\n0.180320 0.460324 0.853218 H\n0.748904 0.917432 0.965928 H\n0.819680 0.539676 0.146782 H\n0.096329 0.788344 0.470417 H\n0.593714 0.365733 0.368541 H\n0.072182 0.855754 0.215630 H\n0.369658 0.074347 0.383362 H\n0.661992 0.022340 0.315012 H\n0.630721 0.587595 0.852961 H\n0.074402 0.705958 0.814193 H\n0.903670 0.211657 0.529583 H\n0.338007 0.977661 0.684988 H\n0.192155 0.302011 0.609718 H\n0.925597 0.294042 0.185807 H\n0.571000 0.391739 0.755816 H\n0.612456 0.551830 0.751456 C\n0.477262 0.895710 0.707032 C\n0.790791 0.375820 0.157635 C\n0.387543 0.448170 0.248544 C\n0.209210 0.624180 0.842365 C\n0.522737 0.104291 0.292968 C\n0.575390 0.325945 0.274076 N\n0.424609 0.674056 0.725925 N\n0.646235 0.656444 0.421468 F\n0.353764 0.343557 0.578532 F\n0.967770 0.237864 0.655468 F\n0.912750 0.081836 0.886438 F\n0.872938 0.201681 0.438795 F\n0.644103 0.807145 0.016276 F\n0.355896 0.192855 0.983724 F\n0.127061 0.798320 0.561205 F\n0.087249 0.918164 0.113562 F\n0.032230 0.762137 0.344532 F\n",
"nsites": 46,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"F"
],
"chemical_system": "C-F-H-N",
"density": 1.348281063104289,
"density_atomic": 0.11734765818405789,
"volume": 391.99759681484016,
"volume_molar": 5.13187979478412,
"formula_full": "H28 C6 N2 F10",
"formula_reduced": "H14C3NF5",
"formula_anonymous": "AB3C5D14",
"energy_above_hull": 3.204238898369565,
"spacegroup": 2
},
{
"id": "jvasp-20919",
"created_at": "2022-09-04T14:38:16.500777Z",
"updated_at": "2022-09-04T14:38:16.500797Z",
"structure_string": "Mg6 Al36 Cr4\n1.0\n8.902847 -0.000000 5.140062\n2.967616 8.393685 5.140062\n-0.000000 -0.000000 10.280122\nMg Al Cr\n6 36 4\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.500000 0.500000 0.499999 Mg\n0.625000 0.625000 0.624999 Mg\n0.375000 0.375000 0.375000 Mg\n0.985049 0.264951 0.985048 Al\n0.558141 0.824754 0.292352 Al\n0.824753 0.558141 0.292352 Al\n0.824754 0.824754 0.558140 Al\n0.824754 0.824754 0.292352 Al\n0.292353 0.824754 0.824752 Al\n0.824753 0.292353 0.824752 Al\n0.707647 0.441859 0.175246 Al\n0.735049 0.014951 0.014951 Al\n0.175247 0.175247 0.441859 Al\n0.175247 0.707647 0.441859 Al\n0.985049 0.985049 0.264950 Al\n0.264951 0.264951 0.985048 Al\n0.985049 0.264951 0.264951 Al\n0.264952 0.985049 0.264951 Al\n0.014951 0.735049 0.014951 Al\n0.441860 0.707647 0.175246 Al\n0.707647 0.175247 0.441859 Al\n0.175247 0.441859 0.707646 Al\n0.175247 0.175247 0.707647 Al\n0.014951 0.014951 0.735049 Al\n0.735049 0.735049 0.014951 Al\n0.735049 0.014951 0.735048 Al\n0.264952 0.985049 0.985048 Al\n0.014951 0.735049 0.735048 Al\n0.175247 0.441859 0.175247 Al\n0.824753 0.292353 0.558140 Al\n0.558141 0.824754 0.824752 Al\n0.824753 0.558141 0.824752 Al\n0.292353 0.824754 0.558140 Al\n0.292353 0.558141 0.824752 Al\n0.558141 0.292353 0.824753 Al\n0.707647 0.175247 0.175247 Al\n0.441859 0.175247 0.175247 Al\n0.441859 0.175247 0.707646 Al\n0.175247 0.707647 0.175246 Al\n0.500000 0.000000 -0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Mg",
"density": 2.8644036862389437,
"density_atomic": 0.05987947531165111,
"volume": 768.2098041204697,
"volume_molar": 10.057103420924994,
"formula_full": "Mg6 Al36 Cr4",
"formula_reduced": "Mg3(Al9Cr)2",
"formula_anonymous": "A2B3C18",
"energy_above_hull": 2.066645319565217,
"spacegroup": 227
},
{
"id": "jvasp-24285",
"created_at": "2022-09-04T14:38:16.942440Z",
"updated_at": "2022-09-04T14:38:16.942457Z",
"structure_string": "Na8 Al6 Ge6 Cl2 O24\n1.0\n9.097475 -0.000000 0.000000\n0.000000 9.097475 0.000000\n0.000000 -0.000000 9.097475\nNa Al Ge Cl O\n8 6 6 2 24\ndirect\n0.171253 0.828746 0.828746 Na\n0.328747 0.671253 0.328747 Na\n0.671253 0.328747 0.328747 Na\n0.828746 0.171253 0.828746 Na\n0.328747 0.328747 0.671253 Na\n0.671253 0.671253 0.671253 Na\n0.171253 0.171253 0.171253 Na\n0.828746 0.828746 0.171253 Na\n0.250000 0.000000 0.500000 Al\n0.500000 0.250000 0.000000 Al\n0.750000 0.000000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.750000 0.000000 Al\n0.000000 0.250000 0.500000 Ge\n0.000000 0.750000 0.500000 Ge\n0.250000 0.500000 0.000000 Ge\n0.750000 0.500000 0.000000 Ge\n0.500000 0.000000 0.250000 Ge\n0.500000 0.000000 0.750000 Ge\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.857354 0.422817 0.857275 O\n0.142724 0.142645 0.422817 O\n0.142645 0.577182 0.857275 O\n0.922817 0.642645 0.642724 O\n0.077183 0.357355 0.642724 O\n0.357276 0.077183 0.642645 O\n0.142645 0.422817 0.142724 O\n0.857275 0.142645 0.577182 O\n0.422817 0.142724 0.142645 O\n0.922817 0.357355 0.357276 O\n0.857354 0.577182 0.142724 O\n0.642724 0.922817 0.642645 O\n0.357276 0.922817 0.357355 O\n0.642645 0.642724 0.922817 O\n0.422817 0.857275 0.857354 O\n0.857275 0.857354 0.422817 O\n0.642724 0.077183 0.357355 O\n0.642645 0.357276 0.077183 O\n0.577182 0.857275 0.142645 O\n0.142724 0.857354 0.577182 O\n0.577182 0.142724 0.857354 O\n0.077183 0.642645 0.357276 O\n0.357355 0.642724 0.077183 O\n0.357355 0.357276 0.922817 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Al",
"Ge",
"Cl",
"O"
],
"chemical_system": "Al-Cl-Ge-Na-O",
"density": 2.7270575208847525,
"density_atomic": 0.06109352996351931,
"volume": 752.9438882884639,
"volume_molar": 9.857247999249664,
"formula_full": "Na8 Al6 Ge6 Cl2 O24",
"formula_reduced": "Na4Al3Ge3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 1.7604016659782609,
"spacegroup": 218
},
{
"id": "jvasp-22922",
"created_at": "2022-09-04T14:37:30.883792Z",
"updated_at": "2022-09-04T14:37:30.883809Z",
"structure_string": "Be6 Cd8 Si6 S2 O24\n1.0\n8.535075 -0.000000 0.000000\n0.000000 8.535075 0.000000\n0.000000 0.000000 8.535075\nBe Cd Si S O\n6 8 6 2 24\ndirect\n0.250000 0.500000 0.000000 Be\n0.500000 0.000000 0.750000 Be\n0.500000 0.000000 0.250000 Be\n0.000000 0.250000 0.500000 Be\n0.000000 0.750000 0.500000 Be\n0.750000 0.500000 0.000000 Be\n0.330039 0.330039 0.669961 Cd\n0.169961 0.169961 0.169961 Cd\n0.669961 0.669961 0.669961 Cd\n0.830039 0.169961 0.830039 Cd\n0.830039 0.830039 0.169961 Cd\n0.669961 0.330039 0.330039 Cd\n0.330039 0.669961 0.330039 Cd\n0.169961 0.830039 0.830039 Cd\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.250000 0.000000 0.500000 Si\n0.500000 0.250000 0.000000 Si\n0.500000 0.750000 0.000000 Si\n0.750000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 S\n0.356277 0.643434 0.072135 O\n0.356566 0.072135 0.643724 O\n0.072135 0.356277 0.643434 O\n0.072135 0.643724 0.356566 O\n0.643434 0.927866 0.643724 O\n0.927866 0.643724 0.643434 O\n0.643434 0.072135 0.356277 O\n0.356566 0.927866 0.356277 O\n0.927866 0.356277 0.356566 O\n0.143434 0.856277 0.572135 O\n0.856567 0.143723 0.572135 O\n0.856277 0.427865 0.856567 O\n0.572135 0.143434 0.856277 O\n0.143723 0.572135 0.856567 O\n0.143723 0.427865 0.143434 O\n0.356277 0.356566 0.927866 O\n0.143434 0.143723 0.427865 O\n0.856567 0.856277 0.427865 O\n0.572135 0.856567 0.143723 O\n0.427865 0.856567 0.856277 O\n0.856277 0.572135 0.143434 O\n0.643724 0.356566 0.072135 O\n0.427865 0.143434 0.143723 O\n0.643724 0.643434 0.927866 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Be",
"Cd",
"Si",
"S",
"O"
],
"chemical_system": "Be-Cd-O-S-Si",
"density": 4.192990450171913,
"density_atomic": 0.07398365902327651,
"volume": 621.7589209196536,
"volume_molar": 8.13982552296492,
"formula_full": "Be6 Cd8 Si6 S2 O24",
"formula_reduced": "Be3Cd4Si3SO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.00836065652174,
"spacegroup": 218
},
{
"id": "jvasp-22856",
"created_at": "2022-09-04T14:37:32.173520Z",
"updated_at": "2022-09-04T14:37:32.173539Z",
"structure_string": "Be6 Cd8 Si6 Te2 O24\n1.0\n8.659008 -0.000000 -0.000000\n0.000000 8.659008 0.000000\n-0.000000 -0.000000 8.659008\nBe Cd Si Te O\n6 8 6 2 24\ndirect\n0.250000 0.500000 0.000000 Be\n0.500000 0.000000 0.750000 Be\n0.500000 0.000000 0.250000 Be\n0.000000 0.250000 0.500000 Be\n0.000000 0.750000 0.500000 Be\n0.750000 0.500000 0.000000 Be\n0.684066 0.684066 0.684066 Cd\n0.815934 0.184066 0.815934 Cd\n0.184066 0.815934 0.815934 Cd\n0.815934 0.815934 0.184066 Cd\n0.315934 0.315934 0.684066 Cd\n0.315934 0.684066 0.315934 Cd\n0.184066 0.184066 0.184066 Cd\n0.684066 0.315934 0.315934 Cd\n0.000000 0.500000 0.750000 Si\n0.250000 0.000000 0.500000 Si\n0.000000 0.500000 0.250000 Si\n0.500000 0.250000 0.000000 Si\n0.500000 0.750000 0.000000 Si\n0.750000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.354126 0.645744 0.063707 O\n0.354256 0.063707 0.645874 O\n0.063707 0.354126 0.645744 O\n0.063707 0.645874 0.354256 O\n0.645744 0.936294 0.645874 O\n0.936294 0.645874 0.645744 O\n0.645744 0.063707 0.354126 O\n0.354256 0.936294 0.354126 O\n0.936294 0.354126 0.354256 O\n0.145744 0.854126 0.563707 O\n0.854256 0.145874 0.563707 O\n0.854126 0.436294 0.854256 O\n0.563707 0.145744 0.854126 O\n0.145874 0.563707 0.854256 O\n0.145874 0.436294 0.145744 O\n0.354126 0.354256 0.936294 O\n0.145744 0.145874 0.436294 O\n0.854256 0.854126 0.436294 O\n0.563707 0.854256 0.145874 O\n0.436294 0.854256 0.854126 O\n0.854126 0.563707 0.145744 O\n0.645874 0.354256 0.063707 O\n0.436294 0.145744 0.145874 O\n0.645874 0.645744 0.936294 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Be",
"Cd",
"Si",
"Te",
"O"
],
"chemical_system": "Be-Cd-O-Si-Te",
"density": 4.504211257072743,
"density_atomic": 0.07085221128115808,
"volume": 649.2387346594065,
"volume_molar": 8.499580536876602,
"formula_full": "Be6 Cd8 Si6 Te2 O24",
"formula_reduced": "Be3Cd4Si3TeO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 1.9551153420289855,
"spacegroup": 218
},
{
"id": "jvasp-25774",
"created_at": "2022-09-04T14:38:00.533580Z",
"updated_at": "2022-09-04T14:38:00.533607Z",
"structure_string": "Li8 Ga6 Si6 Br2 O24\n1.0\n8.595617 0.000000 0.000000\n-0.000000 8.595617 -0.000000\n-0.000000 0.000000 8.595617\nLi Ga Si Br O\n8 6 6 2 24\ndirect\n0.323225 0.323225 0.676775 Li\n0.176775 0.823226 0.823226 Li\n0.323225 0.676775 0.323225 Li\n0.823226 0.176775 0.823226 Li\n0.176775 0.176775 0.176775 Li\n0.676775 0.676775 0.676775 Li\n0.676775 0.323225 0.323225 Li\n0.823226 0.823226 0.176775 Li\n0.750000 0.500000 0.000000 Ga\n0.000000 0.250000 0.500000 Ga\n0.500000 0.000000 0.250000 Ga\n0.000000 0.750000 0.500000 Ga\n0.250000 0.500000 0.000000 Ga\n0.500000 0.000000 0.750000 Ga\n0.750000 0.000000 0.500000 Si\n0.250000 0.000000 0.500000 Si\n0.000000 0.500000 0.750000 Si\n0.500000 0.250000 0.000000 Si\n0.500000 0.750000 0.000000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Br\n0.645955 0.900474 0.626538 O\n0.626538 0.354045 0.099526 O\n0.873462 0.400474 0.854046 O\n0.099526 0.626538 0.354045 O\n0.354045 0.099526 0.626538 O\n0.126538 0.400474 0.145955 O\n0.626538 0.645955 0.900474 O\n0.126538 0.599526 0.854046 O\n0.373462 0.645955 0.099526 O\n0.145955 0.873462 0.599526 O\n0.873462 0.599526 0.145955 O\n0.900474 0.626538 0.645955 O\n0.145955 0.126538 0.400474 O\n0.599526 0.854046 0.126538 O\n0.354045 0.900474 0.373462 O\n0.373462 0.354045 0.900474 O\n0.645955 0.099526 0.373462 O\n0.400474 0.145955 0.126538 O\n0.854046 0.873462 0.400474 O\n0.099526 0.373462 0.645955 O\n0.400474 0.854046 0.873462 O\n0.900474 0.373462 0.354045 O\n0.599526 0.145955 0.873462 O\n0.854046 0.126538 0.599526 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Li",
"Ga",
"Si",
"Br",
"O"
],
"chemical_system": "Br-Ga-Li-O-Si",
"density": 3.10145737564031,
"density_atomic": 0.07243136392209956,
"volume": 635.083995511576,
"volume_molar": 8.314272207378085,
"formula_full": "Li8 Ga6 Si6 Br2 O24",
"formula_reduced": "Li4Ga3Si3BrO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.0907838643478263,
"spacegroup": 218
}
]
}