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=-spacegroup&page=921",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=919",
"results": [
{
"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-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-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-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-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-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-97423",
"created_at": "2022-09-04T14:36:14.681863Z",
"updated_at": "2022-09-04T14:36:14.681889Z",
"structure_string": "K32 Ge8 S32\n1.0\n12.737073 -0.000000 0.000000\n-0.000000 12.737073 0.000000\n0.000000 0.000000 12.737073\nK Ge S\n32 8 32\ndirect\n0.365078 0.151013 0.413438 K\n0.847989 0.847989 0.152010 K\n0.586562 0.634922 0.151013 K\n0.086562 0.651013 0.134922 K\n0.586562 0.365078 0.848986 K\n0.913438 0.651013 0.865078 K\n0.347990 0.652010 0.347990 K\n0.865078 0.913438 0.651013 K\n0.134922 0.913438 0.348986 K\n0.365078 0.848986 0.586562 K\n0.413438 0.634922 0.848986 K\n0.086562 0.348986 0.865078 K\n0.348986 0.134922 0.913438 K\n0.348986 0.865078 0.086562 K\n0.634922 0.151013 0.586562 K\n0.152010 0.152010 0.152010 K\n0.347990 0.347990 0.652010 K\n0.865078 0.086562 0.348986 K\n0.134922 0.086562 0.651013 K\n0.651013 0.865078 0.913438 K\n0.652010 0.347990 0.347990 K\n0.848986 0.413438 0.634922 K\n0.847989 0.152010 0.847989 K\n0.651013 0.134922 0.086562 K\n0.848986 0.586562 0.365078 K\n0.413438 0.365078 0.151013 K\n0.151013 0.413438 0.365078 K\n0.634922 0.848986 0.413438 K\n0.152010 0.847989 0.847989 K\n0.652010 0.652010 0.652010 K\n0.913438 0.348986 0.134922 K\n0.151013 0.586562 0.634922 K\n0.000000 0.000000 0.000000 Ge\n0.750000 0.500000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.250000 0.500000 Ge\n0.250000 0.500000 0.000000 Ge\n0.500000 0.000000 0.750000 Ge\n0.500000 0.000000 0.250000 Ge\n0.000000 0.750000 0.500000 Ge\n0.402475 0.111696 0.153802 S\n0.398279 0.398279 0.398279 S\n0.597524 0.111696 0.846197 S\n0.888304 0.153802 0.597524 S\n0.398279 0.601721 0.601721 S\n0.653802 0.611695 0.902475 S\n0.902475 0.653802 0.611695 S\n0.611695 0.097525 0.346198 S\n0.101721 0.101721 0.898278 S\n0.846197 0.402475 0.888304 S\n0.388304 0.902475 0.346198 S\n0.097525 0.346198 0.611695 S\n0.402475 0.888304 0.846197 S\n0.101721 0.898278 0.101721 S\n0.902475 0.346198 0.388304 S\n0.153802 0.402475 0.111696 S\n0.611695 0.902475 0.653802 S\n0.597524 0.888304 0.153802 S\n0.111696 0.846197 0.597524 S\n0.888304 0.846197 0.402475 S\n0.346198 0.388304 0.902475 S\n0.097525 0.653802 0.388304 S\n0.111696 0.153802 0.402475 S\n0.346198 0.611695 0.097525 S\n0.601721 0.398279 0.601721 S\n0.898278 0.898278 0.898278 S\n0.653802 0.388304 0.097525 S\n0.388304 0.097525 0.653802 S\n0.898278 0.101721 0.101721 S\n0.846197 0.597524 0.111696 S\n0.153802 0.597524 0.888304 S\n0.601721 0.601721 0.398279 S\n",
"nsites": 72,
"nelements": 3,
"elements": [
"K",
"Ge",
"S"
],
"chemical_system": "Ge-K-S",
"density": 2.296967876651079,
"density_atomic": 0.03484364519463076,
"volume": 2066.373928382638,
"volume_molar": 17.28332591599223,
"formula_full": "K32 Ge8 S32",
"formula_reduced": "K4GeS4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 0.4800719944444443,
"spacegroup": 218
},
{
"id": "jvasp-97990",
"created_at": "2022-09-04T14:35:52.832659Z",
"updated_at": "2022-09-04T14:35:52.832678Z",
"structure_string": "Sr32 Ge8 P32\n1.0\n12.522425 -0.000000 -0.000000\n0.000000 12.522425 0.000000\n-0.000000 0.000000 12.522425\nSr Ge P\n32 8 32\ndirect\n0.645064 0.645064 0.645064 Sr\n0.903980 0.867339 0.644795 Sr\n0.903980 0.132660 0.355204 Sr\n0.867339 0.644795 0.903980 Sr\n0.132660 0.644795 0.096020 Sr\n0.644795 0.903980 0.867339 Sr\n0.355204 0.096020 0.867339 Sr\n0.596019 0.855204 0.367339 Sr\n0.596019 0.144795 0.632660 Sr\n0.403980 0.855204 0.632660 Sr\n0.144795 0.632660 0.596019 Sr\n0.632660 0.403980 0.855204 Sr\n0.632660 0.596019 0.144795 Sr\n0.855204 0.367339 0.596019 Sr\n0.855204 0.632660 0.403980 Sr\n0.367339 0.596019 0.855204 Sr\n0.367339 0.403980 0.144795 Sr\n0.854935 0.854935 0.145064 Sr\n0.145064 0.854935 0.854935 Sr\n0.354936 0.354936 0.645064 Sr\n0.645064 0.354936 0.354936 Sr\n0.354936 0.645064 0.354936 Sr\n0.144795 0.367339 0.403980 Sr\n0.403980 0.144795 0.367339 Sr\n0.145064 0.145064 0.145064 Sr\n0.096020 0.132660 0.644795 Sr\n0.132660 0.355204 0.903980 Sr\n0.867339 0.355204 0.096020 Sr\n0.644795 0.096020 0.132660 Sr\n0.355204 0.903980 0.132660 Sr\n0.096020 0.867339 0.355204 Sr\n0.854935 0.145064 0.854935 Sr\n0.000000 0.500000 0.750000 Ge\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.250000 0.000000 0.500000 Ge\n0.000000 0.500000 0.250000 Ge\n0.500000 0.750000 0.000000 Ge\n0.500000 0.250000 0.000000 Ge\n0.750000 0.000000 0.500000 Ge\n0.646729 0.107656 0.381584 P\n0.892343 0.618415 0.646729 P\n0.107656 0.618415 0.353270 P\n0.618415 0.646729 0.892343 P\n0.381584 0.353270 0.892343 P\n0.853270 0.881584 0.392343 P\n0.118415 0.392343 0.146730 P\n0.146730 0.881584 0.607656 P\n0.118415 0.607656 0.853270 P\n0.607656 0.146730 0.881584 P\n0.607656 0.853270 0.118415 P\n0.881584 0.392343 0.853270 P\n0.392343 0.853270 0.881584 P\n0.881584 0.607656 0.146730 P\n0.853270 0.118415 0.607656 P\n0.392343 0.146730 0.118415 P\n0.618415 0.353270 0.107656 P\n0.892343 0.381584 0.353270 P\n0.107656 0.381584 0.646729 P\n0.353270 0.107656 0.618415 P\n0.353270 0.892343 0.381584 P\n0.146730 0.118415 0.392343 P\n0.890566 0.890566 0.890566 P\n0.609434 0.390566 0.609434 P\n0.390566 0.609434 0.609434 P\n0.609434 0.609434 0.390566 P\n0.890566 0.109434 0.109434 P\n0.109434 0.109434 0.890566 P\n0.109434 0.890566 0.109434 P\n0.390566 0.390566 0.390566 P\n0.381584 0.646729 0.107656 P\n0.646729 0.892343 0.618415 P\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"P"
],
"chemical_system": "Ge-P-Sr",
"density": 3.700607633027335,
"density_atomic": 0.03666630769578063,
"volume": 1963.6555880505357,
"volume_molar": 16.424181049167917,
"formula_full": "Sr32 Ge8 P32",
"formula_reduced": "Sr4GeP4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.2516603544444445,
"spacegroup": 218
},
{
"id": "jvasp-63672",
"created_at": "2022-09-04T14:36:00.205730Z",
"updated_at": "2022-09-04T14:36:00.205758Z",
"structure_string": "Li8 Be6 As6 Cl2 O24\n1.0\n8.280110 0.000000 -0.000000\n0.000000 8.280110 0.000000\n0.000000 0.000000 8.280110\nLi Be As Cl O\n8 6 6 2 24\ndirect\n0.169530 0.169530 0.169530 Li\n0.830470 0.830470 0.169530 Li\n0.830470 0.169530 0.830470 Li\n0.169530 0.830470 0.830470 Li\n0.669530 0.669530 0.669530 Li\n0.330470 0.330470 0.669530 Li\n0.669530 0.330470 0.330470 Li\n0.330470 0.669530 0.330470 Li\n0.000000 0.500000 0.750000 Be\n0.000000 0.500000 0.250000 Be\n0.500000 0.750000 0.000000 Be\n0.250000 0.000000 0.500000 Be\n0.750000 0.000000 0.500000 Be\n0.500000 0.250000 0.000000 Be\n0.500000 0.000000 0.250000 As\n0.500000 0.000000 0.750000 As\n0.000000 0.750000 0.500000 As\n0.000000 0.250000 0.500000 As\n0.750000 0.500000 0.000000 As\n0.250000 0.500000 0.000000 As\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.641448 0.097586 0.365924 O\n0.641448 0.902414 0.634076 O\n0.634076 0.358552 0.097586 O\n0.365924 0.358552 0.902414 O\n0.365924 0.641448 0.097586 O\n0.634076 0.641448 0.902414 O\n0.097586 0.634076 0.358552 O\n0.902414 0.365924 0.358552 O\n0.097586 0.365924 0.641448 O\n0.902414 0.634076 0.641448 O\n0.597586 0.858552 0.134076 O\n0.134076 0.402414 0.141448 O\n0.597586 0.141448 0.865924 O\n0.402414 0.141448 0.134076 O\n0.858552 0.134076 0.597586 O\n0.858552 0.865924 0.402414 O\n0.141448 0.865924 0.597586 O\n0.141448 0.134076 0.402414 O\n0.134076 0.597586 0.858552 O\n0.865924 0.402414 0.858552 O\n0.865924 0.597586 0.141448 O\n0.358552 0.902414 0.365924 O\n0.402414 0.858552 0.865924 O\n0.358552 0.097586 0.634076 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Li",
"Be",
"As",
"Cl",
"O"
],
"chemical_system": "As-Be-Cl-Li-O",
"density": 2.966117019856718,
"density_atomic": 0.08103068543561757,
"volume": 567.6861765725654,
"volume_molar": 7.431926223535224,
"formula_full": "Li8 Be6 As6 Cl2 O24",
"formula_reduced": "Li4Be3As3ClO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.359265635543478,
"spacegroup": 218
},
{
"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-122035",
"created_at": "2022-09-04T14:38:54.823780Z",
"updated_at": "2022-09-04T14:38:54.823807Z",
"structure_string": "Na29\n1.0\n10.479629 -0.000000 -3.705108\n-5.239815 9.075625 -3.705108\n-0.000000 -0.000000 11.115325\nNa\n29\ndirect\n0.000000 0.000000 0.000000 Na\n0.810116 0.184865 0.810116 Na\n0.316530 0.316530 0.722519 Na\n0.000000 0.405989 0.683471 Na\n0.405989 0.000000 0.683471 Na\n0.000000 0.000000 0.640087 Na\n0.625252 0.815136 0.625252 Na\n0.815136 0.625251 0.625251 Na\n0.277482 0.594011 0.594011 Na\n0.594011 0.277481 0.594011 Na\n0.000000 0.683471 0.405990 Na\n0.683470 0.000000 0.405989 Na\n0.000000 0.189884 0.374749 Na\n0.184865 0.810116 0.810116 Na\n0.189884 0.000000 0.374749 Na\n0.316530 0.722519 0.316530 Na\n0.722519 0.316530 0.316530 Na\n0.594011 0.594011 0.277481 Na\n0.000000 0.374749 0.189884 Na\n0.374749 0.000000 0.189884 Na\n0.810117 0.810116 0.184865 Na\n0.405990 0.683470 0.000000 Na\n0.000000 0.640087 0.000000 Na\n0.683471 0.405989 0.000000 Na\n0.189884 0.374749 0.000000 Na\n0.374749 0.189884 0.000000 Na\n0.640087 0.000000 -0.000000 Na\n0.359913 0.359913 0.359913 Na\n0.625252 0.625251 0.815136 Na\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.047217984177932,
"density_atomic": 0.02743174162599665,
"volume": 1057.169478897291,
"volume_molar": 21.953184169294264,
"formula_full": "Na29",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy_above_hull": 0.0,
"spacegroup": 217
}
]
}