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=39",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=37",
"results": [
{
"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-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-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-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-95696",
"created_at": "2022-09-04T14:35:55.662490Z",
"updated_at": "2022-09-04T14:35:55.662527Z",
"structure_string": "Ba10 Er4 Zr2 Al4 O26\n1.0\n5.987120 -0.000000 0.000000\n-2.993560 5.184998 -0.000000\n0.000000 -0.000000 25.064879\nBa Er Zr Al O\n10 4 2 4 26\ndirect\n0.000000 0.000000 0.362146 Ba\n0.666667 0.333333 0.958099 Ba\n0.000000 0.000000 0.637855 Ba\n0.000000 0.000000 0.862146 Ba\n0.666667 0.333333 0.541901 Ba\n0.333333 0.666667 0.458099 Ba\n0.000000 0.000000 0.137855 Ba\n0.333333 0.666667 0.041901 Ba\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.103444 Er\n0.333333 0.666667 0.896556 Er\n0.333333 0.666667 0.603444 Er\n0.666667 0.333333 0.396556 Er\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.666667 0.333333 0.819330 Al\n0.333333 0.666667 0.180670 Al\n0.666667 0.333333 0.680670 Al\n0.333333 0.666667 0.319330 Al\n0.674373 0.837187 0.550230 O\n0.666667 0.333333 0.750000 O\n0.495247 0.504753 0.342195 O\n0.674373 0.837187 0.949770 O\n0.504753 0.009507 0.842195 O\n0.162813 0.837187 0.550230 O\n0.504753 0.495247 0.657805 O\n0.162813 0.325627 0.949770 O\n0.495247 0.504753 0.157805 O\n0.325627 0.162813 0.449770 O\n0.990493 0.495247 0.842195 O\n0.009507 0.504753 0.342195 O\n0.162813 0.837187 0.949770 O\n0.990493 0.495247 0.657805 O\n0.325627 0.162813 0.050230 O\n0.837187 0.162813 0.449770 O\n0.009507 0.504753 0.157805 O\n0.495247 0.990493 0.157805 O\n0.837187 0.162813 0.050230 O\n0.504753 0.495247 0.842195 O\n0.162813 0.325627 0.550230 O\n0.333333 0.666667 0.250000 O\n0.837187 0.674373 0.449770 O\n0.837187 0.674373 0.050230 O\n0.504753 0.009507 0.657805 O\n0.495247 0.990493 0.342195 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Ba",
"Er",
"Zr",
"Al",
"O"
],
"chemical_system": "Al-Ba-Er-O-Zr",
"density": 5.8659542439891235,
"density_atomic": 0.05911880723369233,
"volume": 778.0941827558421,
"volume_molar": 10.186505854549665,
"formula_full": "Ba10 Er4 Zr2 Al4 O26",
"formula_reduced": "Ba5Er2ZrAl2O13",
"formula_anonymous": "AB2C2D5E13",
"energy_above_hull": 2.0965054543478256,
"spacegroup": 194
},
{
"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-91383",
"created_at": "2022-09-04T14:36:31.342669Z",
"updated_at": "2022-09-04T14:36:31.342698Z",
"structure_string": "Ti2 Sn12 F32\n1.0\n7.552883 0.000000 0.000000\n-3.776441 9.012771 -0.068152\n0.000000 -0.002712 11.089981\nTi Sn F\n2 12 32\ndirect\n0.338017 0.000000 0.750000 Ti\n0.661983 0.000000 0.250000 Ti\n0.113139 0.417262 0.175528 Sn\n0.894766 0.141095 0.892017 Sn\n0.753672 0.858905 0.607983 Sn\n0.246327 0.141095 0.392017 Sn\n0.521269 0.293971 0.039313 Sn\n0.105234 0.858905 0.107984 Sn\n0.478731 0.706029 0.960687 Sn\n0.772702 0.293971 0.539313 Sn\n0.304122 0.417262 0.675528 Sn\n0.886861 0.582738 0.824472 Sn\n0.695878 0.582738 0.324472 Sn\n0.227298 0.706029 0.460687 Sn\n0.411309 0.857279 0.221064 F\n0.129064 0.257502 0.011192 F\n0.128438 0.257502 0.511192 F\n0.870936 0.742498 0.988808 F\n0.554028 0.142721 0.278937 F\n0.445972 0.857279 0.721063 F\n0.314520 0.944487 0.914568 F\n0.090802 0.855869 0.714838 F\n0.234933 0.144131 0.785162 F\n0.909198 0.144131 0.285162 F\n0.765067 0.855869 0.214838 F\n0.370031 0.055513 0.585432 F\n0.871562 0.742498 0.488808 F\n0.588691 0.142721 0.778936 F\n0.719705 0.445147 0.160732 F\n0.505007 0.319760 0.458162 F\n0.280294 0.554853 0.839268 F\n0.725443 0.445148 0.660732 F\n0.814753 0.319760 0.958162 F\n0.494993 0.680240 0.541838 F\n0.185247 0.680240 0.041838 F\n0.629968 0.944487 0.414568 F\n0.592224 0.472506 0.905461 F\n0.119718 0.527494 0.594538 F\n0.407776 0.527494 0.094539 F\n0.880282 0.472506 0.405462 F\n0.003241 0.300355 0.746067 F\n0.702886 0.699645 0.753933 F\n0.996759 0.699645 0.253933 F\n0.297114 0.300355 0.246067 F\n0.274557 0.554853 0.339268 F\n0.685480 0.055513 0.085432 F\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Ti",
"Sn",
"F"
],
"chemical_system": "F-Sn-Ti",
"density": 4.681241386338451,
"density_atomic": 0.060933586207821216,
"volume": 754.920280633271,
"volume_molar": 9.883122157722303,
"formula_full": "Ti2 Sn12 F32",
"formula_reduced": "TiSn6F16",
"formula_anonymous": "AB6C16",
"energy_above_hull": 0.1033796979710144,
"spacegroup": 15
},
{
"id": "jvasp-20860",
"created_at": "2022-09-04T14:38:34.378161Z",
"updated_at": "2022-09-04T14:38:34.378190Z",
"structure_string": "Li20 Zn8 O18\n1.0\n9.745060 0.000000 0.000000\n0.000000 9.745060 0.000000\n-0.000000 0.000000 4.649497\nLi Zn O\n20 8 18\ndirect\n0.143717 0.687442 0.787371 Li\n0.356283 0.812558 0.712630 Li\n0.643717 0.187442 0.712630 Li\n0.000000 0.500000 0.323769 Li\n0.000000 0.500000 0.823769 Li\n0.500000 0.000000 0.176232 Li\n0.500000 0.000000 0.676232 Li\n0.187442 0.643717 0.287371 Li\n0.143717 0.312558 0.787371 Li\n0.812558 0.356283 0.287371 Li\n0.856283 0.687442 0.787371 Li\n0.687442 0.856283 0.212629 Li\n0.312558 0.856283 0.212629 Li\n0.356283 0.187442 0.712630 Li\n0.643717 0.812558 0.712630 Li\n0.687442 0.143717 0.212629 Li\n0.187442 0.356283 0.287371 Li\n0.812558 0.643717 0.287371 Li\n0.856283 0.312558 0.787371 Li\n0.312558 0.143717 0.212629 Li\n0.662828 0.500000 0.767615 Zn\n0.000000 0.837172 0.267615 Zn\n0.337172 0.500000 0.767615 Zn\n0.000000 0.162828 0.267615 Zn\n0.500000 0.662828 0.232385 Zn\n0.837172 0.000000 0.732386 Zn\n0.162828 0.000000 0.732386 Zn\n0.500000 0.337172 0.232385 Zn\n0.174587 0.825413 0.500000 O\n0.500000 0.843320 0.435710 O\n0.343320 0.000000 0.935711 O\n0.656680 0.000000 0.935711 O\n0.500000 0.156680 0.435710 O\n0.000000 0.343320 0.064290 O\n0.000000 0.656680 0.064290 O\n0.843320 0.500000 0.564290 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.674587 0.325413 0.000000 O\n0.825413 0.825413 0.500000 O\n0.174587 0.174587 0.500000 O\n0.325413 0.674587 0.000000 O\n0.825413 0.174587 0.500000 O\n0.674587 0.674587 0.000000 O\n0.156680 0.500000 0.564290 O\n0.325413 0.325413 0.000000 O\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Li",
"Zn",
"O"
],
"chemical_system": "Li-O-Zn",
"density": 3.573014801394474,
"density_atomic": 0.10417963344963094,
"volume": 441.54503598095505,
"volume_molar": 5.780535562079514,
"formula_full": "Li20 Zn8 O18",
"formula_reduced": "Li10Zn4O9",
"formula_anonymous": "A4B9C10",
"energy_above_hull": 1.152654047826087,
"spacegroup": 137
},
{
"id": "jvasp-101839",
"created_at": "2022-09-04T14:36:41.045551Z",
"updated_at": "2022-09-04T14:36:41.045561Z",
"structure_string": "H16 C26 O4\n1.0\n3.706368 -0.086705 -0.341050\n-1.052873 8.481179 -1.065546\n-0.022001 -0.287720 14.209550\nH C O\n16 26 4\ndirect\n0.930362 0.990282 0.062434 H\n0.635900 0.427539 0.265953 H\n0.201971 0.707959 0.495344 H\n0.701982 0.707959 0.995345 H\n0.028130 0.231608 0.565337 H\n0.528136 0.231607 0.065337 H\n0.969791 0.928650 0.823629 H\n0.469795 0.928650 0.323629 H\n0.135902 0.427539 0.765953 H\n0.515399 0.060645 0.907826 H\n0.745810 0.644807 0.757222 H\n0.245817 0.644806 0.257222 H\n0.625807 0.593891 0.424102 H\n0.125816 0.593891 0.924103 H\n0.430355 0.990282 0.562434 H\n0.015399 0.060646 0.407827 H\n0.823229 0.233548 0.326211 C\n0.777133 0.913827 0.104308 C\n0.277126 0.913826 0.604308 C\n0.217210 0.478490 0.920266 C\n0.717204 0.478490 0.420265 C\n0.720609 0.385526 0.332064 C\n0.150269 0.756456 0.566864 C\n0.220611 0.385527 0.832065 C\n0.355549 0.150079 0.728788 C\n0.855552 0.150079 0.228788 C\n0.323229 0.233548 0.826212 C\n0.650278 0.756457 0.066865 C\n0.959503 0.660034 0.622994 C\n0.425575 0.176544 0.910750 C\n0.832045 0.421164 0.503548 C\n0.332052 0.421163 0.003549 C\n0.219089 0.979250 0.697196 C\n0.719094 0.979251 0.197197 C\n0.925574 0.176546 0.410750 C\n0.900517 0.722256 0.716163 C\n0.400524 0.722255 0.216164 C\n0.935327 0.270859 0.499307 C\n0.435331 0.270858 -0.000693 C\n0.026901 0.880451 0.752356 C\n0.526907 0.880451 0.252356 C\n0.459511 0.660033 0.122995 C\n0.497613 0.230394 0.672266 O\n0.325561 0.502711 0.095171 O\n0.825551 0.502712 0.595171 O\n-0.002385 0.230394 0.172267 O\n",
"nsites": 46,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4673506689821287,
"density_atomic": 0.10358825249415551,
"volume": 444.0657979300822,
"volume_molar": 5.813536395297113,
"formula_full": "H16 C26 O4",
"formula_reduced": "H8C13O2",
"formula_anonymous": "A2B8C13",
"energy_above_hull": 5.743161173913043,
"spacegroup": 1
},
{
"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-112072",
"created_at": "2022-09-04T14:38:43.739093Z",
"updated_at": "2022-09-04T14:38:43.739112Z",
"structure_string": "H18 C24 N2 O2\n1.0\n3.824328 0.038724 0.019290\n1.388310 8.141284 0.511261\n-0.092391 0.072299 13.002538\nH C N O\n18 24 2 2\ndirect\n0.012954 0.005161 0.953674 H\n0.534607 0.233140 0.333097 H\n0.034606 0.233141 0.833097 H\n0.308181 0.445804 0.746139 H\n0.767507 0.720224 0.511959 H\n0.267505 0.720224 0.011959 H\n0.002527 0.221543 0.420300 H\n0.502527 0.221543 0.920301 H\n0.022523 0.938634 0.160420 H\n0.808181 0.445804 0.246139 H\n0.967947 0.059962 0.586441 H\n0.467947 0.059963 0.086441 H\n0.276131 0.651860 0.219662 H\n0.776131 0.651860 0.719662 H\n0.332221 0.608454 0.580403 H\n0.832220 0.608454 0.080403 H\n0.512955 0.005161 0.453674 H\n0.522523 0.938634 0.660420 H\n0.632666 0.242804 0.178289 C\n0.132666 0.242805 0.678289 C\n0.182773 0.928792 0.901904 C\n0.682774 0.928792 0.401904 C\n0.748656 0.489364 0.081482 C\n0.734650 0.397854 0.174691 C\n0.326783 0.767064 0.935115 C\n0.826784 0.767064 0.435115 C\n0.234650 0.397854 0.674691 C\n0.040526 0.667085 0.369065 C\n0.248656 0.489364 0.581483 C\n0.540525 0.667084 0.869065 C\n0.605481 0.730152 0.770157 C\n0.661758 0.425428 0.990020 C\n0.746305 0.994466 0.302714 C\n0.246304 0.994467 0.802715 C\n0.051284 0.179175 0.585652 C\n0.551284 0.179174 0.085652 C\n0.105481 0.730152 0.270157 C\n0.065876 0.270300 0.492409 C\n0.565875 0.270300 0.992410 C\n0.960867 0.891552 0.237101 C\n0.460867 0.891552 0.737101 C\n0.161759 0.425428 0.490020 C\n0.600231 0.158955 0.274322 N\n0.100230 0.158955 0.774322 N\n0.693236 0.502148 0.892532 O\n0.193237 0.502148 0.392532 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.5060149860032552,
"density_atomic": 0.11385928024222053,
"volume": 404.00747222484716,
"volume_molar": 5.28910840397787,
"formula_full": "H18 C24 N2 O2",
"formula_reduced": "H9C12NO",
"formula_anonymous": "ABC9D12",
"energy_above_hull": 5.705764641304347,
"spacegroup": 1
},
{
"id": "jvasp-97944",
"created_at": "2022-09-04T14:36:16.242396Z",
"updated_at": "2022-09-04T14:36:16.242425Z",
"structure_string": "Y1 H16 C4 N9 O16\n1.0\n3.163144 10.546568 -0.524852\n-3.163144 10.546568 0.524852\n0.414501 0.000000 6.230291\nY H C N O\n1 16 4 9 16\ndirect\n-0.017758 0.017758 0.979792 Y\n0.700718 0.937441 0.015793 H\n0.062559 0.299282 0.015793 H\n0.896147 0.031604 0.509226 H\n0.968396 0.103853 0.509226 H\n0.547285 0.330079 0.750888 H\n0.576408 0.648326 0.280645 H\n0.351674 0.423592 0.280645 H\n0.669921 0.452715 0.750888 H\n0.297426 0.339177 0.179247 H\n0.169614 0.614601 0.969189 H\n0.385399 0.830386 0.969189 H\n0.033323 0.745049 0.735112 H\n0.254951 -0.033322 0.735112 H\n0.713069 0.474594 -0.016927 H\n0.525406 0.286931 -0.016927 H\n0.660824 0.702574 0.179247 H\n0.122414 0.137699 0.309740 C\n0.862301 0.877586 0.309740 C\n0.291778 0.141948 0.465673 C\n0.858052 0.708222 0.465673 C\n0.408346 0.117136 0.627760 N\n0.415847 0.584153 0.388577 N\n0.882865 0.591655 0.627760 N\n0.922350 0.769544 0.500555 N\n0.768007 0.870394 0.171237 N\n0.763364 0.763987 0.270796 N\n0.236013 0.236637 0.270796 N\n0.129606 0.231994 0.171237 N\n0.230457 0.077650 0.500555 N\n0.085966 0.743698 0.869863 O\n0.256302 0.914034 0.869863 O\n0.920075 0.079925 0.608962 O\n0.336707 0.663293 0.193597 O\n0.768907 0.368557 0.884873 O\n0.631443 0.231093 0.884873 O\n0.509517 0.595080 0.484070 O\n0.989391 0.526261 0.803120 O\n0.473739 0.010610 0.803120 O\n0.797774 0.562585 0.584750 O\n0.437416 0.202227 0.584750 O\n0.883452 0.972636 0.266540 O\n0.027364 0.116548 0.266540 O\n0.331334 0.396868 0.143485 O\n0.404920 0.490483 0.484070 O\n0.603132 0.668666 0.143485 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Y",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Y",
"density": 2.1143118839855215,
"density_atomic": 0.10945142396992981,
"volume": 420.2777664421966,
"volume_molar": 5.5021127561158965,
"formula_full": "Y1 H16 C4 N9 O16",
"formula_reduced": "YH16C4N9O16",
"formula_anonymous": "AB4C9D16E16",
"energy_above_hull": 4.318576319565218,
"spacegroup": 8
}
]
}