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-98046",
"created_at": "2022-09-04T14:35:57.192737Z",
"updated_at": "2022-09-04T14:35:57.192760Z",
"structure_string": "Rb8 Zr6 Te32\n1.0\n11.074563 0.013943 -1.335587\n-4.800679 9.979960 -1.335587\n-0.006386 -0.010172 15.112276\nRb Zr Te\n8 6 32\ndirect\n0.747764 0.448985 0.429039 Rb\n0.551015 0.252236 0.070961 Rb\n0.252236 0.551015 0.570961 Rb\n0.448985 0.747764 0.929039 Rb\n0.245446 0.969844 0.368135 Rb\n0.030156 0.754554 0.131865 Rb\n0.754554 0.030156 0.631865 Rb\n0.969844 0.245446 0.868135 Rb\n0.106683 0.893317 0.750000 Zr\n0.893317 0.106683 0.250000 Zr\n0.432329 0.210162 0.728504 Zr\n0.567671 0.789837 0.271496 Zr\n0.210162 0.432329 0.228503 Zr\n0.789837 0.567671 0.771496 Zr\n0.402103 0.882077 0.159584 Te\n0.623618 0.081441 0.285506 Te\n0.081441 0.623618 0.785506 Te\n0.376382 0.918559 0.714494 Te\n0.117923 0.597897 0.340416 Te\n0.882076 0.402103 0.659584 Te\n0.168172 0.526719 0.055268 Te\n0.455849 0.575271 0.378602 Te\n0.424729 0.544151 0.121398 Te\n0.544150 0.424729 0.621398 Te\n0.575270 0.455849 0.878602 Te\n0.473281 0.831827 0.444732 Te\n0.918558 0.376382 0.214494 Te\n0.597897 0.117923 0.840416 Te\n0.637350 0.734078 0.741440 Te\n0.847619 0.911706 0.376125 Te\n0.362649 0.265922 0.258559 Te\n0.734078 0.637350 0.241440 Te\n0.911705 0.847619 0.876126 Te\n0.152381 0.088294 0.623874 Te\n0.088294 0.152381 0.123874 Te\n0.526718 0.168172 0.555268 Te\n0.198165 0.904818 0.946507 Te\n0.095181 0.801834 0.553493 Te\n0.801834 0.095182 0.053493 Te\n0.904818 0.198166 0.446506 Te\n0.249277 0.156411 0.875177 Te\n0.843589 0.750722 0.624822 Te\n0.750722 0.843589 0.124822 Te\n0.156410 0.249277 0.375177 Te\n0.265922 0.362650 0.758559 Te\n0.831827 0.473281 0.944732 Te\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Rb",
"Zr",
"Te"
],
"chemical_system": "Rb-Te-Zr",
"density": 5.281094978191493,
"density_atomic": 0.02752883016397253,
"volume": 1670.9754728408698,
"volume_molar": 21.87575979120712,
"formula_full": "Rb8 Zr6 Te32",
"formula_reduced": "Rb4Zr3Te16",
"formula_anonymous": "A3B4C16",
"energy_above_hull": 1.284614250724638,
"spacegroup": 15
},
{
"id": "jvasp-91487",
"created_at": "2022-09-04T14:36:05.496143Z",
"updated_at": "2022-09-04T14:36:05.496162Z",
"structure_string": "Li8 Be6 As6 Cl2 O24\n1.0\n8.279692 -0.000000 0.000000\n-0.000000 8.279692 -0.000000\n-0.000000 -0.000000 8.279692\nLi Be As Cl O\n8 6 6 2 24\ndirect\n0.830509 0.830509 0.169491 Li\n0.330509 0.330509 0.669491 Li\n0.169491 0.169491 0.169491 Li\n0.669491 0.669491 0.669491 Li\n0.830509 0.169491 0.830509 Li\n0.330509 0.669491 0.330509 Li\n0.169491 0.830509 0.830509 Li\n0.669491 0.330509 0.330509 Li\n0.750000 0.000000 0.500000 Be\n0.000000 0.500000 0.750000 Be\n0.500000 0.250000 0.000000 Be\n0.500000 0.750000 0.000000 Be\n0.250000 0.000000 0.500000 Be\n0.000000 0.500000 0.250000 Be\n0.500000 0.000000 0.750000 As\n0.750000 0.500000 0.000000 As\n0.000000 0.750000 0.500000 As\n0.250000 0.500000 0.000000 As\n0.000000 0.250000 0.500000 As\n0.500000 0.000000 0.250000 As\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.097607 0.634068 0.358555 O\n0.597607 0.141445 0.865932 O\n0.634068 0.641445 0.902393 O\n0.641445 0.902393 0.634068 O\n0.858555 0.134068 0.597607 O\n0.634068 0.358555 0.097607 O\n0.641445 0.097607 0.365932 O\n0.402393 0.858555 0.865932 O\n0.902393 0.634068 0.641445 O\n0.402393 0.141445 0.134068 O\n0.365932 0.358555 0.902393 O\n0.097607 0.365932 0.641445 O\n0.902393 0.365932 0.358555 O\n0.858555 0.865932 0.402393 O\n0.358555 0.097607 0.634068 O\n0.865932 0.402393 0.858555 O\n0.865932 0.597607 0.141445 O\n0.358555 0.902393 0.365932 O\n0.141445 0.134068 0.402393 O\n0.134068 0.402393 0.141445 O\n0.597607 0.858555 0.134068 O\n0.365932 0.641445 0.097607 O\n0.134068 0.597607 0.858555 O\n0.141445 0.865932 0.597607 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Li",
"Be",
"As",
"Cl",
"O"
],
"chemical_system": "As-Be-Cl-Li-O",
"density": 2.966566275520509,
"density_atomic": 0.08104295855030896,
"volume": 567.6002063947927,
"volume_molar": 7.430800735466291,
"formula_full": "Li8 Be6 As6 Cl2 O24",
"formula_reduced": "Li4Be3As3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.359265200760869,
"spacegroup": 218
},
{
"id": "jvasp-29264",
"created_at": "2022-09-04T14:38:39.401103Z",
"updated_at": "2022-09-04T14:38:39.401118Z",
"structure_string": "Sb4 Au6 F36\n1.0\n8.460529 0.000000 0.000000\n0.000000 8.259093 -3.862505\n0.000000 -0.009317 9.696196\nSb Au F\n4 6 36\ndirect\n0.124647 0.139978 0.276439 Sb\n0.624647 0.360022 0.223561 Sb\n0.875353 0.860021 0.723560 Sb\n0.375353 0.639978 0.776439 Sb\n0.668458 0.797810 0.130567 Au\n0.168458 0.702189 0.369432 Au\n0.000000 0.500000 -0.000000 Au\n0.831542 0.297810 0.630568 Au\n0.331542 0.202189 0.869433 Au\n0.500000 -0.000000 0.500000 Au\n0.472288 0.335095 0.046964 F\n0.972288 0.164904 0.453036 F\n0.229136 0.605642 0.617243 F\n0.729136 0.894357 0.882757 F\n0.770864 0.394357 0.382757 F\n0.368873 0.417873 0.744738 F\n0.868873 0.082126 0.755262 F\n0.631127 0.582126 0.255262 F\n0.027712 0.835095 0.546964 F\n0.216414 0.681762 0.928992 F\n0.716414 0.818237 0.571007 F\n0.270864 0.105642 0.117243 F\n0.131127 0.917873 0.244738 F\n0.941293 0.094547 0.153101 F\n0.283586 0.181762 0.428992 F\n0.441293 0.405452 0.346899 F\n0.058707 0.905452 0.846898 F\n0.558707 0.594547 0.653101 F\n0.101019 0.365637 0.333784 F\n0.601019 0.134363 0.166216 F\n0.791510 0.908984 0.310653 F\n0.291510 0.591015 0.189346 F\n0.208490 0.091015 0.689346 F\n0.708490 0.408984 0.810654 F\n0.478863 0.895958 0.256586 F\n0.978863 0.604041 0.243414 F\n0.521137 0.104041 0.743414 F\n0.021137 0.395958 0.756586 F\n0.863022 0.701937 0.010142 F\n0.363022 0.798063 0.489857 F\n0.136978 0.298063 0.989857 F\n0.636978 0.201937 0.510143 F\n0.898981 0.634362 0.666216 F\n0.398981 0.865636 0.833783 F\n0.783586 0.318237 0.071008 F\n0.527712 0.664904 0.953036 F\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Sb",
"Au",
"F"
],
"chemical_system": "Au-F-Sb",
"density": 5.768922687111117,
"density_atomic": 0.06792376912046948,
"volume": 677.2297915095743,
"volume_molar": 8.866028546382847,
"formula_full": "Sb4 Au6 F36",
"formula_reduced": "Sb2(AuF6)3",
"formula_anonymous": "A2B3C18",
"energy_above_hull": 0.0289778258695652,
"spacegroup": 14
},
{
"id": "jvasp-30702",
"created_at": "2022-09-04T14:38:10.878361Z",
"updated_at": "2022-09-04T14:38:10.878386Z",
"structure_string": "V6 As8 O32\n1.0\n4.692593 0.000000 0.000000\n0.000000 7.437013 -1.407029\n0.000000 -0.816169 15.826148\nV As O\n6 8 32\ndirect\n0.020029 0.347943 0.126579 V\n0.979970 0.652056 0.873421 V\n0.520029 0.152056 0.373421 V\n0.479970 0.847943 0.626579 V\n0.500000 0.500000 -0.000000 V\n0.000000 -0.000000 0.500000 V\n0.972197 0.557438 0.664741 As\n0.027802 0.442561 0.335259 As\n0.017996 0.776470 0.094849 As\n0.527802 0.057439 0.164741 As\n0.517996 0.723529 0.405151 As\n0.482004 0.276470 0.594849 As\n0.982003 0.223529 0.905151 As\n0.472198 0.942561 0.835259 As\n0.280667 0.652371 0.321705 O\n0.309050 0.917609 0.079997 O\n0.220157 0.589381 0.105279 O\n0.665132 0.621433 0.615153 O\n0.165132 0.878566 0.884847 O\n0.305654 0.775841 0.498335 O\n0.779843 0.410619 0.894721 O\n0.723575 0.426271 0.073966 O\n0.611113 0.967378 0.735606 O\n0.844801 0.232406 0.329722 O\n0.690949 0.082390 0.920004 O\n0.805653 0.724158 0.001665 O\n0.776424 0.926271 0.573966 O\n0.194346 0.275841 0.998335 O\n0.334867 0.378566 0.384847 O\n0.809050 0.582390 0.420003 O\n0.190949 0.417610 0.579997 O\n0.276424 0.573729 0.926034 O\n0.279843 0.089381 0.605279 O\n0.344801 0.267594 0.170278 O\n0.888886 0.467378 0.235606 O\n0.223576 0.073729 0.426034 O\n0.720156 0.910619 0.394721 O\n0.719333 0.347629 0.678295 O\n0.388886 0.032622 0.264394 O\n0.780666 0.847629 0.178294 O\n0.155198 0.767594 0.670278 O\n0.219333 0.152371 0.821706 O\n0.694346 0.224158 0.501665 O\n0.111113 0.532621 0.764394 O\n0.834867 0.121434 0.115153 O\n0.655198 0.732406 0.829722 O\n",
"nsites": 46,
"nelements": 3,
"elements": [
"V",
"As",
"O"
],
"chemical_system": "As-O-V",
"density": 4.3022064143972685,
"density_atomic": 0.08410645543567234,
"volume": 546.9259138519095,
"volume_molar": 7.160140953277898,
"formula_full": "V6 As8 O32",
"formula_reduced": "V3(AsO4)4",
"formula_anonymous": "A3B4C16",
"energy_above_hull": 3.302854156521739,
"spacegroup": 14
},
{
"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-25636",
"created_at": "2022-09-04T14:38:14.792996Z",
"updated_at": "2022-09-04T14:38:14.793019Z",
"structure_string": "Li8 Al6 Ge6 I2 O24\n1.0\n8.774951 -0.000000 0.000000\n0.000000 8.774951 -0.000000\n-0.000000 -0.000000 8.774951\nLi Al Ge I O\n8 6 6 2 24\ndirect\n0.687863 0.312137 0.312137 Li\n0.812137 0.187863 0.812137 Li\n0.312137 0.312137 0.687863 Li\n0.687863 0.687863 0.687863 Li\n0.187863 0.812137 0.812137 Li\n0.187863 0.187863 0.187863 Li\n0.312137 0.687863 0.312137 Li\n0.812137 0.812137 0.187863 Li\n0.750000 0.500000 0.000000 Al\n0.000000 0.250000 0.500000 Al\n0.500000 0.000000 0.250000 Al\n0.000000 0.750000 0.500000 Al\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.750000 0.000000 0.500000 Ge\n0.250000 0.000000 0.500000 Ge\n0.000000 0.500000 0.750000 Ge\n0.500000 0.250000 0.000000 Ge\n0.500000 0.750000 0.000000 Ge\n0.000000 0.500000 0.250000 Ge\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.500000 I\n0.639564 0.360633 0.095583 O\n0.860436 0.595583 0.139367 O\n0.595583 0.139367 0.860436 O\n0.360633 0.095583 0.639564 O\n0.639367 0.904417 0.639564 O\n0.360436 0.639367 0.095583 O\n0.404417 0.139367 0.139564 O\n0.904417 0.639564 0.639367 O\n0.904417 0.360436 0.360633 O\n0.860633 0.139564 0.595583 O\n0.139367 0.139564 0.404417 O\n0.595583 0.860633 0.139564 O\n0.139564 0.404417 0.139367 O\n0.360633 0.904417 0.360436 O\n0.095583 0.639564 0.360633 O\n0.860436 0.404417 0.860633 O\n0.095583 0.360436 0.639367 O\n0.860633 0.860436 0.404417 O\n0.139367 0.860436 0.595583 O\n0.404417 0.860633 0.860436 O\n0.639367 0.095583 0.360436 O\n0.639564 0.639367 0.904417 O\n0.139564 0.595583 0.860633 O\n0.360436 0.360633 0.904417 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Li",
"Al",
"Ge",
"I",
"O"
],
"chemical_system": "Al-Ge-I-Li-O",
"density": 3.1729165895058427,
"density_atomic": 0.06808065597668876,
"volume": 675.669165346331,
"volume_molar": 8.845597436755044,
"formula_full": "Li8 Al6 Ge6 I2 O24",
"formula_reduced": "Li4Al3Ge3IO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.046762370652174,
"spacegroup": 218
},
{
"id": "jvasp-21444",
"created_at": "2022-09-04T14:38:19.580235Z",
"updated_at": "2022-09-04T14:38:19.580258Z",
"structure_string": "Be6 Zn8 Si6 S2 O24\n1.0\n8.178182 0.000000 -0.000000\n-0.000000 8.178182 -0.000000\n0.000000 0.000000 8.178182\nBe Zn Si S O\n6 8 6 2 24\ndirect\n0.500000 0.750000 0.000000 Be\n0.500000 0.250000 0.000000 Be\n0.000000 0.500000 0.250000 Be\n0.000000 0.500000 0.750000 Be\n0.250000 0.000000 0.500000 Be\n0.750000 0.000000 0.500000 Be\n0.165412 0.165412 0.165412 Zn\n0.334587 0.665412 0.334587 Zn\n0.334587 0.334587 0.665412 Zn\n0.665412 0.334587 0.334587 Zn\n0.165412 0.834587 0.834587 Zn\n0.834587 0.165412 0.834587 Zn\n0.665412 0.665412 0.665412 Zn\n0.834587 0.834587 0.165412 Zn\n0.000000 0.750000 0.500000 Si\n0.750000 0.500000 0.000000 Si\n0.250000 0.500000 0.000000 Si\n0.000000 0.250000 0.500000 Si\n0.500000 0.000000 0.750000 Si\n0.500000 0.000000 0.250000 Si\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 S\n0.637411 0.637840 0.906033 O\n0.362589 0.362160 0.906033 O\n0.862159 0.862589 0.406033 O\n0.862159 0.137411 0.593967 O\n0.137411 0.593967 0.862159 O\n0.906033 0.637411 0.637840 O\n0.593967 0.137840 0.862589 O\n0.593967 0.862159 0.137411 O\n0.862589 0.406033 0.862159 O\n0.637840 0.906033 0.637411 O\n0.862589 0.593967 0.137840 O\n0.362589 0.637840 0.093967 O\n0.406033 0.137840 0.137411 O\n0.406033 0.862159 0.862589 O\n0.637411 0.362160 0.093967 O\n0.906033 0.362589 0.362160 O\n0.093967 0.362589 0.637840 O\n0.362160 0.093967 0.637411 O\n0.362160 0.906033 0.362589 O\n0.137840 0.137411 0.406033 O\n0.137840 0.862589 0.593967 O\n0.093967 0.637411 0.362160 O\n0.137411 0.406033 0.137840 O\n0.637840 0.093967 0.362589 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Be",
"Zn",
"Si",
"S",
"O"
],
"chemical_system": "Be-O-S-Si-Zn",
"density": 3.6247122984141336,
"density_atomic": 0.08409835829300998,
"volume": 546.9785728721341,
"volume_molar": 7.160830344651977,
"formula_full": "Be6 Zn8 Si6 S2 O24",
"formula_reduced": "Be3Zn4Si3SO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.074438595652174,
"spacegroup": 218
},
{
"id": "jvasp-104038",
"created_at": "2022-09-04T14:37:05.736435Z",
"updated_at": "2022-09-04T14:37:05.736459Z",
"structure_string": "H20 C14 O12\n1.0\n6.515802 0.000000 -0.751459\n0.000000 5.231817 0.000000\n0.226283 0.000000 10.995253\nH C O\n20 14 12\ndirect\n0.503243 0.697163 0.282691 H\n0.275527 0.284584 0.410042 H\n0.724472 0.784585 0.589957 H\n0.674287 0.167712 0.554214 H\n0.325712 0.667712 0.445786 H\n0.286562 0.678274 0.020506 H\n0.713437 0.178273 0.979493 H\n0.541928 0.375573 0.058583 H\n0.350222 0.995057 0.072165 H\n0.649777 0.495056 0.927835 H\n0.458071 0.875573 0.941416 H\n0.089051 0.666860 0.257830 H\n0.955293 0.448777 0.834082 H\n0.044706 0.948777 0.165918 H\n0.982806 0.539630 0.616373 H\n0.017193 0.039630 0.383626 H\n0.193345 0.080790 0.589798 H\n0.806654 0.580790 0.410202 H\n0.496756 0.197163 0.717308 H\n0.910948 0.166860 0.742170 H\n0.974839 0.809405 0.223855 C\n0.321295 0.872007 -0.008655 C\n0.678705 0.372007 0.008655 C\n0.139884 0.977511 0.914771 C\n0.860115 0.477511 0.085229 C\n0.025160 0.309405 0.776145 C\n0.108733 0.444259 0.670635 C\n0.542204 0.833947 0.357748 C\n0.234949 0.283500 0.588691 C\n0.765050 0.783500 0.411309 C\n0.457795 0.333947 0.642252 C\n0.443110 0.598516 0.698488 C\n0.556889 0.098516 0.301511 C\n0.891266 0.944259 0.329365 C\n0.193003 0.183495 0.847985 O\n0.806997 0.683495 0.152014 O\n0.198274 0.385692 0.466768 O\n0.801725 0.885692 0.533232 O\n0.607191 0.338226 0.557617 O\n0.416317 0.249396 0.276551 O\n0.583682 0.749396 0.723448 O\n0.248548 0.653705 0.717625 O\n0.751451 0.153705 0.282375 O\n0.035272 0.396026 0.089252 O\n0.392808 0.838227 0.442382 O\n0.964728 0.896026 0.910747 O\n",
"nsites": 46,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.6808223216247065,
"density_atomic": 0.12243416310750123,
"volume": 375.7121283183884,
"volume_molar": 4.918676786896777,
"formula_full": "H20 C14 O12",
"formula_reduced": "H10C7O6",
"formula_anonymous": "A6B7C10",
"energy_above_hull": 4.537920478260869,
"spacegroup": 4
},
{
"id": "jvasp-23880",
"created_at": "2022-09-04T14:37:38.537549Z",
"updated_at": "2022-09-04T14:37:38.537575Z",
"structure_string": "Na8 Al6 Si6 Br2 O24\n1.0\n8.980926 -0.000000 0.000000\n0.000000 8.980926 0.000000\n-0.000000 -0.000000 8.980926\nNa Al Si Br O\n8 6 6 2 24\ndirect\n0.183609 0.183609 0.183609 Na\n0.683609 0.683609 0.683609 Na\n0.316392 0.683609 0.316392 Na\n0.316392 0.316392 0.683609 Na\n0.683609 0.316392 0.316392 Na\n0.816392 0.816392 0.183609 Na\n0.816392 0.183609 0.816392 Na\n0.183609 0.816392 0.816392 Na\n0.000000 0.750000 0.500000 Al\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.750000 0.500000 0.000000 Al\n0.000000 0.250000 0.500000 Al\n0.500000 0.000000 0.250000 Al\n0.500000 0.250000 0.000000 Si\n0.500000 0.750000 0.000000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.250000 0.000000 0.500000 Si\n0.750000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Br\n0.360571 0.649496 0.061930 O\n0.139429 0.438070 0.149496 O\n0.938070 0.360571 0.350504 O\n0.061930 0.639429 0.350504 O\n0.149496 0.139429 0.438070 O\n0.438070 0.149496 0.139429 O\n0.561931 0.850505 0.139429 O\n0.149496 0.860571 0.561931 O\n0.561931 0.149496 0.860571 O\n0.850505 0.860571 0.438070 O\n0.850505 0.139429 0.561931 O\n0.350504 0.061930 0.639429 O\n0.139429 0.561931 0.850505 O\n0.860571 0.438070 0.850505 O\n0.860571 0.561931 0.149496 O\n0.061930 0.360571 0.649496 O\n0.938070 0.639429 0.649496 O\n0.350504 0.938070 0.360571 O\n0.649496 0.938070 0.639429 O\n0.639429 0.350504 0.061930 O\n0.639429 0.649496 0.938070 O\n0.360571 0.350504 0.938070 O\n0.438070 0.850505 0.860571 O\n0.649496 0.061930 0.360571 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Al",
"Si",
"Br",
"O"
],
"chemical_system": "Al-Br-Na-O-Si",
"density": 2.425594495573015,
"density_atomic": 0.06350303438563736,
"volume": 724.3748341323976,
"volume_molar": 9.483233074232503,
"formula_full": "Na8 Al6 Si6 Br2 O24",
"formula_reduced": "Na4Al3Si3BrO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.116978969782609,
"spacegroup": 218
},
{
"id": "jvasp-23878",
"created_at": "2022-09-04T14:37:38.402027Z",
"updated_at": "2022-09-04T14:37:38.402054Z",
"structure_string": "Na8 Al6 Si6 Cl2 O24\n1.0\n8.925604 -0.000000 0.000000\n0.000000 8.925604 -0.000000\n-0.000000 -0.000000 8.925604\nNa Al Si Cl O\n8 6 6 2 24\ndirect\n0.324315 0.324315 0.675685 Na\n0.675685 0.324315 0.324315 Na\n0.675685 0.675685 0.675685 Na\n0.175685 0.175685 0.175685 Na\n0.175685 0.824315 0.824315 Na\n0.824315 0.824315 0.175685 Na\n0.324315 0.675685 0.324315 Na\n0.824315 0.175685 0.824315 Na\n0.750000 0.000000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.500000 0.250000 0.000000 Al\n0.500000 0.750000 0.000000 Al\n0.250000 0.000000 0.500000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.000000 0.750000 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.750000 0.500000 Si\n0.250000 0.500000 0.000000 Si\n0.000000 0.250000 0.500000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.351486 0.361710 0.933764 O\n0.851485 0.566235 0.138290 O\n0.933764 0.351486 0.361710 O\n0.851485 0.433764 0.861710 O\n0.861710 0.148514 0.566235 O\n0.933764 0.648514 0.638289 O\n0.566235 0.138290 0.851485 O\n0.066235 0.648514 0.361710 O\n0.148514 0.433764 0.138290 O\n0.351486 0.638289 0.066235 O\n0.148514 0.566235 0.861710 O\n0.361710 0.066235 0.648514 O\n0.648514 0.638289 0.933764 O\n0.566235 0.861710 0.148514 O\n0.138290 0.148514 0.433764 O\n0.638289 0.933764 0.648514 O\n0.066235 0.351486 0.638289 O\n0.138290 0.851485 0.566235 O\n0.433764 0.138290 0.148514 O\n0.648514 0.361710 0.066235 O\n0.861710 0.851485 0.433764 O\n0.638289 0.066235 0.351486 O\n0.361710 0.933764 0.351486 O\n0.433764 0.861710 0.851485 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Al",
"Si",
"Cl",
"O"
],
"chemical_system": "Al-Cl-Na-O-Si",
"density": 2.2633672607937587,
"density_atomic": 0.06469116728191819,
"volume": 711.0707988856688,
"volume_molar": 9.309061828728584,
"formula_full": "Na8 Al6 Si6 Cl2 O24",
"formula_reduced": "Na4Al3Si3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.1263498377173917,
"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
},
{
"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
}
]
}