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=4551",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4549",
"results": [
{
"id": "jvasp-20931",
"created_at": "2022-09-04T14:38:15.886417Z",
"updated_at": "2022-09-04T14:38:15.886447Z",
"structure_string": "Ca8 B8 O20\n1.0\n0.000000 7.193193 0.066067\n5.204576 0.000000 0.000000\n0.000000 -0.604763 -11.527511\nCa B O\n8 8 20\ndirect\n0.381178 0.563307 0.632637 Ca\n0.618822 0.063306 0.867363 Ca\n0.618822 0.436694 0.367363 Ca\n0.381178 0.936695 0.132637 Ca\n0.875645 0.600851 0.665290 Ca\n0.124355 0.100851 0.834710 Ca\n0.124355 0.399149 0.334710 Ca\n0.875645 0.899150 0.165290 Ca\n0.845031 0.923028 0.404644 B\n0.154968 0.423028 0.095356 B\n0.154968 0.076973 0.595356 B\n0.845032 0.576973 0.904644 B\n0.337914 0.561900 0.910984 B\n0.337914 0.938101 0.410984 B\n0.662086 0.438101 0.089016 B\n0.662086 0.061900 0.589015 B\n0.409341 0.418745 0.825008 O\n0.145436 0.645379 0.156370 O\n0.854563 0.145378 0.343629 O\n0.106147 0.306192 0.641841 O\n0.893853 0.806192 0.858159 O\n0.893853 0.693809 0.358159 O\n0.106147 0.193809 0.141841 O\n0.590659 0.918746 0.674991 O\n0.409341 0.081255 0.325008 O\n0.230322 0.406081 0.985026 O\n0.643591 0.320514 0.571605 O\n0.356409 0.820515 0.928394 O\n0.356409 0.679486 0.428394 O\n0.643591 0.179486 0.071605 O\n0.769678 0.593920 0.014973 O\n0.230321 0.093919 0.485027 O\n0.145437 0.854622 0.656370 O\n0.769678 0.906081 0.514973 O\n0.590659 0.581255 0.174991 O\n0.854563 0.354622 0.843629 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-O",
"density": 2.799045412604586,
"density_atomic": 0.08345823642825485,
"volume": 431.35347139700843,
"volume_molar": 7.215753672409496,
"formula_full": "Ca8 B8 O20",
"formula_reduced": "Ca2B2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.3066692785185183,
"spacegroup": 14
},
{
"id": "jvasp-25845",
"created_at": "2022-09-04T14:38:29.774602Z",
"updated_at": "2022-09-04T14:38:29.774628Z",
"structure_string": "Ba8 Al4 In4 O20\n1.0\n2.952951 -5.114660 -0.000000\n2.952951 5.114660 0.000000\n-0.000000 -0.000000 19.942388\nBa Al In O\n8 4 4 20\ndirect\n0.333333 0.666667 0.893665 Ba\n0.666667 0.333333 0.106335 Ba\n0.666667 0.333333 0.393665 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.333333 0.666667 0.250000 Ba\n0.333333 0.666667 0.606335 Ba\n0.666667 0.333333 0.750000 Ba\n0.000000 0.000000 0.836841 Al\n0.000000 0.000000 0.163159 Al\n0.000000 0.000000 0.663159 Al\n0.000000 0.000000 0.336841 Al\n0.333333 0.666667 0.433377 In\n0.666667 0.333333 0.933377 In\n0.666667 0.333333 0.566624 In\n0.333333 0.666667 0.066624 In\n0.836554 0.163446 0.865943 O\n0.500000 -0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n0.326893 0.163446 0.634057 O\n0.163446 0.836554 0.134057 O\n0.500000 0.500000 0.500000 O\n0.163446 0.326893 0.365943 O\n0.500000 0.500000 0.000000 O\n0.673107 0.836554 0.365943 O\n0.500000 -0.000000 0.500000 O\n0.163446 0.326893 0.134057 O\n0.836554 0.673107 0.865943 O\n0.836554 0.163446 0.634057 O\n0.673107 0.836554 0.134057 O\n0.163446 0.836554 0.365943 O\n0.000000 0.000000 0.250000 O\n-0.000000 0.500000 0.500000 O\n0.836554 0.673107 0.634057 O\n0.000000 0.000000 0.750000 O\n0.326893 0.163446 0.865943 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ba",
"Al",
"In",
"O"
],
"chemical_system": "Al-Ba-In-O",
"density": 5.474001450007898,
"density_atomic": 0.059761616174436274,
"volume": 602.3933471765681,
"volume_molar": 10.076937582180118,
"formula_full": "Ba8 Al4 In4 O20",
"formula_reduced": "Ba2AlInO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.374778023333333,
"spacegroup": 194
},
{
"id": "jvasp-23042",
"created_at": "2022-09-04T14:38:29.495159Z",
"updated_at": "2022-09-04T14:38:29.495178Z",
"structure_string": "Sr8 Ge8 Se20\n1.0\n0.000000 8.515168 0.008968\n12.382041 0.000000 0.000000\n0.000000 -7.891758 -9.218759\nSr Ge Se\n8 8 20\ndirect\n0.538458 0.196664 0.479445 Sr\n0.461542 0.696664 0.020555 Sr\n0.461542 0.803336 0.520555 Sr\n0.538458 0.303336 0.979445 Sr\n0.012918 0.336613 0.469363 Sr\n0.987082 0.836613 0.030637 Sr\n0.987082 0.663387 0.530637 Sr\n0.012918 0.163387 0.969363 Sr\n0.157358 0.049666 0.667208 Ge\n0.842642 0.549666 0.832792 Ge\n0.842642 0.950334 0.332792 Ge\n0.157358 0.450334 0.167208 Ge\n0.515021 0.520368 0.313451 Ge\n0.484979 0.020368 0.186549 Ge\n0.515021 0.979632 0.813451 Ge\n0.484979 0.479632 0.686549 Ge\n0.250318 0.558162 0.454206 Se\n0.478398 0.714788 0.291482 Se\n0.521602 0.214788 0.208518 Se\n0.318380 0.992764 0.284549 Se\n0.681620 0.492764 0.215451 Se\n0.681620 0.007236 0.715451 Se\n0.318380 0.507236 0.784549 Se\n0.749682 0.058162 0.045794 Se\n0.250318 0.941837 0.954206 Se\n0.896208 0.909386 0.557014 Se\n0.937647 0.792668 0.277269 Se\n0.937646 0.707332 0.777269 Se\n0.062353 0.292668 0.222731 Se\n0.062353 0.207332 0.722731 Se\n0.103792 0.090614 0.442986 Se\n0.896208 0.590614 0.057014 Se\n0.478397 0.785212 0.791482 Se\n0.103792 0.409386 0.942986 Se\n0.749682 0.441838 0.545794 Se\n0.521602 0.285212 0.708518 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"Se"
],
"chemical_system": "Ge-Se-Sr",
"density": 4.892640024798266,
"density_atomic": 0.037071171272681475,
"volume": 971.1050059680515,
"volume_molar": 16.244808440778463,
"formula_full": "Sr8 Ge8 Se20",
"formula_reduced": "Sr2Ge2Se5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 0.8515323725925925,
"spacegroup": 14
},
{
"id": "jvasp-97340",
"created_at": "2022-09-04T14:38:15.435742Z",
"updated_at": "2022-09-04T14:38:15.435767Z",
"structure_string": "Rb2 Sm2 P8 O24\n1.0\n7.281638 0.013885 -1.416851\n-3.643308 6.304661 -1.416851\n0.013619 0.023651 10.586146\nRb Sm P O\n2 2 8 24\ndirect\n0.182079 0.817920 0.750000 Rb\n0.817920 0.182079 0.250000 Rb\n0.878762 0.121237 0.750000 Sm\n0.121237 0.878762 0.250000 Sm\n0.707324 0.367337 0.994750 P\n0.367338 0.707324 0.494750 P\n0.292675 0.632662 0.005250 P\n0.695819 0.736468 0.934935 P\n0.304180 0.263531 0.065066 P\n0.736469 0.695819 0.434935 P\n0.632662 0.292675 0.505251 P\n0.263531 0.304180 0.565066 P\n0.490416 0.634549 0.406490 O\n0.798735 0.745662 0.314799 O\n0.254337 0.201265 0.185201 O\n0.201265 0.254337 0.685201 O\n0.745663 0.798734 0.814800 O\n0.365450 0.509583 0.093510 O\n0.177875 0.686169 0.397404 O\n0.723834 0.472692 0.432125 O\n0.313830 0.822124 0.102597 O\n0.822125 0.313829 0.602597 O\n0.686170 0.177874 0.897404 O\n0.909941 0.509651 0.108549 O\n0.490348 0.090059 0.391451 O\n0.090059 0.490348 0.891451 O\n0.509583 0.365450 0.593510 O\n0.509651 0.909940 0.608549 O\n0.138842 0.150324 0.425446 O\n0.150325 0.138842 0.925446 O\n0.861157 0.849674 0.574554 O\n0.472692 0.723834 0.932126 O\n0.276165 0.527307 0.567875 O\n0.527307 0.276165 0.067875 O\n0.849675 0.861157 0.074554 O\n0.634550 0.490416 0.906491 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Rb",
"Sm",
"P",
"O"
],
"chemical_system": "O-P-Rb-Sm",
"density": 3.76229172457434,
"density_atomic": 0.07391976425529861,
"volume": 487.0145401934165,
"volume_molar": 8.14686142558731,
"formula_full": "Rb2 Sm2 P8 O24",
"formula_reduced": "RbSm(PO3)4",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.7501073819444444,
"spacegroup": 15
},
{
"id": "jvasp-98299",
"created_at": "2022-09-04T14:38:15.028759Z",
"updated_at": "2022-09-04T14:38:15.028786Z",
"structure_string": "H12 Cl4 O20\n1.0\n9.066630 0.000000 -0.305141\n0.000000 5.538780 0.000000\n-0.232408 0.000000 6.934856\nH Cl O\n12 4 20\ndirect\n0.161542 0.893313 0.065322 H\n0.161542 0.606687 0.065322 H\n0.285989 0.750000 0.208106 H\n0.604653 0.750000 0.403694 H\n0.686893 0.750000 0.183801 H\n0.790622 0.750000 0.407377 H\n0.882979 0.250000 0.937627 H\n0.843678 0.250000 0.685779 H\n0.706575 0.250000 0.842612 H\n0.405337 0.250000 0.629942 H\n0.217743 0.250000 0.598623 H\n0.305044 0.250000 0.831915 H\n0.564405 0.750000 0.819567 Cl\n0.060461 0.750000 0.703039 Cl\n0.944382 0.250000 0.316598 Cl\n0.425656 0.250000 0.193287 Cl\n0.077460 0.533460 0.827900 O\n0.693634 0.750000 0.331797 O\n0.182691 0.750000 0.151499 O\n0.418309 0.034996 0.314378 O\n0.924267 0.463461 0.195032 O\n0.573673 0.535873 0.696809 O\n0.077460 0.966540 0.827900 O\n0.573673 0.964127 0.696809 O\n0.418309 0.465004 0.314378 O\n0.291372 0.250000 0.054255 O\n0.428131 0.750000 0.917699 O\n0.910660 0.750000 0.611192 O\n0.557985 0.250000 0.087825 O\n0.092555 0.250000 0.412569 O\n0.693136 0.750000 0.962959 O\n0.170283 0.750000 0.562795 O\n0.812691 0.250000 0.824020 O\n0.831990 0.250000 0.461413 O\n0.924267 0.036539 0.195032 O\n0.309335 0.250000 0.685808 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O",
"density": 2.262164274103084,
"density_atomic": 0.10348923092916101,
"volume": 347.8622816768463,
"volume_molar": 5.819098959313158,
"formula_full": "H12 Cl4 O20",
"formula_reduced": "H3ClO5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.5716101741666666,
"spacegroup": 6
},
{
"id": "jvasp-29503",
"created_at": "2022-09-04T14:37:05.395036Z",
"updated_at": "2022-09-04T14:37:05.395062Z",
"structure_string": "Tc4 S4 O24 F4\n1.0\n6.841974 0.000000 -0.925321\n0.000000 7.986451 0.000000\n-0.044181 0.000000 8.933835\nTc S O F\n4 4 24 4\ndirect\n0.736285 0.344509 0.158067 Tc\n0.736285 0.155491 0.658067 Tc\n0.263714 0.655491 0.841932 Tc\n0.263714 0.844509 0.341933 Tc\n0.903858 0.767120 0.563244 S\n0.096141 0.232879 0.436756 S\n0.903858 0.732879 0.063244 S\n0.096142 0.267121 0.936756 S\n0.752431 0.134572 0.172260 O\n0.162090 0.114130 0.331580 O\n0.563088 0.399472 0.264018 O\n0.036075 0.341003 0.071168 O\n0.964276 0.360039 0.364052 O\n0.035724 0.639961 0.635948 O\n0.436912 0.600528 0.735981 O\n0.247569 0.865427 0.827740 O\n0.837910 0.885870 0.668419 O\n0.162090 0.385870 0.831580 O\n0.837909 0.614130 0.168419 O\n0.752431 0.365427 0.672259 O\n0.637529 0.379963 0.977262 O\n0.963925 0.658997 0.928831 O\n0.362471 0.879963 0.522737 O\n0.362471 0.620037 0.022737 O\n0.436912 0.899472 0.235981 O\n0.963925 0.841003 0.428832 O\n0.964276 0.139961 0.864051 O\n0.036075 0.158997 0.571168 O\n0.637529 0.120037 0.477262 O\n0.035724 0.860039 0.135948 O\n0.563088 0.100528 0.764018 O\n0.247569 0.634572 0.327740 O\n0.283763 0.334273 0.500115 F\n0.283763 0.165727 1.000115 F\n0.716237 0.665727 0.499884 F\n0.716237 0.834273 -0.000116 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Tc",
"S",
"O",
"F"
],
"chemical_system": "F-O-S-Tc",
"density": 3.336557031953463,
"density_atomic": 0.07379380159569891,
"volume": 487.84585184046495,
"volume_molar": 8.16076774712607,
"formula_full": "Tc4 S4 O24 F4",
"formula_reduced": "TcSO6F",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.692574753611111,
"spacegroup": 14
},
{
"id": "jvasp-29737",
"created_at": "2022-09-04T14:37:05.181232Z",
"updated_at": "2022-09-04T14:37:05.181252Z",
"structure_string": "V8 Pb4 O24\n1.0\n3.653534 0.000000 0.000000\n0.000000 9.859009 0.000000\n0.000000 0.000000 12.887855\nV Pb O\n8 4 24\ndirect\n0.250000 0.239163 0.406046 V\n0.250000 0.006825 0.630622 V\n0.749999 0.993175 0.369378 V\n0.749999 0.760837 0.593954 V\n0.749999 0.260837 0.906046 V\n0.250000 0.506825 0.869378 V\n0.250000 0.739163 0.093954 V\n0.749999 0.493175 0.130622 V\n0.749999 0.370873 0.618406 Pb\n0.250000 0.129127 0.118406 Pb\n0.749999 0.870873 0.881594 Pb\n0.250000 0.629127 0.381594 Pb\n0.250000 0.483132 0.740632 O\n0.749999 0.969654 0.594575 O\n0.250000 0.530346 0.094574 O\n0.749999 0.324901 0.103053 O\n0.250000 0.276958 0.282283 O\n0.749999 0.516868 0.259369 O\n0.250000 0.675099 0.896947 O\n0.250000 0.776958 0.217717 O\n0.250000 0.892005 0.028296 O\n0.250000 0.812053 0.572053 O\n0.749999 0.223042 0.782283 O\n0.749999 0.824902 0.396947 O\n0.749999 0.107995 0.971705 O\n0.749999 0.723042 0.717717 O\n0.250000 0.983132 0.759369 O\n0.250000 0.312053 0.927947 O\n0.250000 0.175099 0.603053 O\n0.749999 0.687947 0.072053 O\n0.749999 0.469654 0.905426 O\n0.749999 0.607995 0.528296 O\n0.749999 0.187947 0.427947 O\n0.749999 0.016868 0.240632 O\n0.250000 0.392005 0.471704 O\n0.250000 0.030346 0.405426 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"V",
"Pb",
"O"
],
"chemical_system": "O-Pb-V",
"density": 5.795917422966879,
"density_atomic": 0.07754886451854752,
"volume": 464.2234315550785,
"volume_molar": 7.765607913652524,
"formula_full": "V8 Pb4 O24",
"formula_reduced": "V2PbO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.8286333577777785,
"spacegroup": 62
},
{
"id": "jvasp-60695",
"created_at": "2022-09-04T14:37:05.226203Z",
"updated_at": "2022-09-04T14:37:05.226226Z",
"structure_string": "K2 V6 Se4 O24\n1.0\n3.565649 -6.175885 -0.000000\n3.565650 6.175885 0.000000\n0.000000 -0.000000 11.348484\nK V Se O\n2 6 4 24\ndirect\n0.333333 0.666667 0.947450 K\n0.666667 0.333333 0.447450 K\n0.789448 0.123402 0.783761 V\n0.666046 0.789448 0.283762 V\n0.123402 0.333954 0.283762 V\n0.876598 0.666046 0.783761 V\n0.333954 0.210553 0.783761 V\n0.210552 0.876599 0.283762 V\n0.000000 0.000000 0.056290 Se\n0.000000 0.000000 0.556290 Se\n0.333333 0.666667 0.516645 Se\n0.666667 0.333333 0.016646 Se\n0.746955 0.874457 0.817275 O\n0.919609 0.458611 0.757511 O\n0.080391 0.541390 0.257511 O\n0.458611 0.539002 0.257511 O\n0.539002 0.080391 0.757511 O\n0.253045 0.125543 0.317275 O\n0.127502 0.253045 0.817275 O\n0.125543 0.872499 0.817275 O\n0.874457 0.127502 0.317275 O\n0.872498 0.746955 0.317275 O\n0.120368 0.866444 0.123458 O\n0.198638 0.784062 0.450216 O\n0.866444 0.746076 0.623458 O\n0.133556 0.253924 0.123458 O\n0.746076 0.879632 0.123458 O\n0.879632 0.133556 0.623458 O\n0.541389 0.460998 0.757511 O\n0.414576 0.198638 0.950215 O\n0.784062 0.585424 0.950215 O\n0.215938 0.414576 0.450216 O\n0.585424 0.801362 0.450216 O\n0.801362 0.215938 0.950215 O\n0.253924 0.120368 0.623458 O\n0.460998 0.919609 0.257511 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"V",
"Se",
"O"
],
"chemical_system": "K-O-Se-V",
"density": 3.6003185906370616,
"density_atomic": 0.07202724519038069,
"volume": 499.81086885727285,
"volume_molar": 8.360920571212215,
"formula_full": "K2 V6 Se4 O24",
"formula_reduced": "KV3(SeO6)2",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 2.956606629629629,
"spacegroup": 173
},
{
"id": "jvasp-104133",
"created_at": "2022-09-04T14:37:02.192136Z",
"updated_at": "2022-09-04T14:37:02.192163Z",
"structure_string": "H12 C18 S4 O2\n1.0\n4.556067 0.012041 0.372616\n0.798842 7.763498 1.313354\n0.016269 0.141981 11.413045\nH C S O\n12 18 4 2\ndirect\n0.585830 0.047370 0.939973 H\n0.861249 0.930443 0.372976 H\n0.332493 0.995193 0.639146 H\n0.831976 0.995567 0.138952 H\n0.814610 0.537123 0.259319 H\n0.315183 0.537176 0.759568 H\n0.361864 0.930625 0.873209 H\n0.983928 0.236054 0.955781 H\n0.418864 0.800962 0.185455 H\n0.919493 0.801006 0.685620 H\n0.085029 0.047032 0.439960 H\n0.483911 0.235526 0.455791 H\n0.098995 0.103174 0.247883 C\n0.079326 0.979696 0.363781 C\n0.579951 0.979885 0.863881 C\n0.744029 0.325701 0.577267 C\n0.244107 0.325819 0.077429 C\n0.319396 0.830156 0.369803 C\n0.820003 0.830333 0.869942 C\n0.599406 0.103193 0.747899 C\n0.684932 0.580574 0.438633 C\n0.464498 0.755291 0.278554 C\n0.558666 0.219900 0.545368 C\n0.058608 0.220217 0.045384 C\n0.965109 0.755395 0.778727 C\n0.477789 0.092840 0.643734 C\n0.977448 0.093077 0.143652 C\n0.675115 0.612366 0.317356 C\n0.175690 0.612471 0.817574 C\n0.185445 0.580749 0.938853 C\n0.940378 0.724493 0.007030 S\n0.439844 0.724253 0.506868 S\n0.313830 0.274736 0.227315 S\n0.814014 0.274879 0.727136 S\n0.375548 0.460383 0.006410 O\n0.875227 0.460243 0.506117 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6020698040276415,
"density_atomic": 0.08939055542547177,
"volume": 402.7271094653231,
"volume_molar": 6.736887058522511,
"formula_full": "H12 C18 S4 O2",
"formula_reduced": "H6C9S2O",
"formula_anonymous": "AB2C6D9",
"energy_above_hull": 5.304602972222222,
"spacegroup": 1
},
{
"id": "jvasp-103790",
"created_at": "2022-09-04T14:36:39.746741Z",
"updated_at": "2022-09-04T14:36:39.746767Z",
"structure_string": "H16 C18 O2\n1.0\n4.434753 0.070803 -0.861560\n-0.443687 6.523251 -0.910659\n-0.128493 0.032788 10.885712\nH C O\n16 18 2\ndirect\n0.894418 0.251249 0.802505 H\n0.483257 0.937084 0.181114 H\n0.483258 0.437086 0.681114 H\n0.044398 0.256510 0.605540 H\n0.634581 0.437615 0.486248 H\n0.634581 0.937615 0.986249 H\n0.642952 0.919834 0.668436 H\n0.642952 0.419833 0.168436 H\n0.044396 0.756509 0.105541 H\n0.172431 0.406898 0.318532 H\n0.106655 0.693976 0.696109 H\n0.106655 0.193975 0.196109 H\n0.375974 0.103673 0.695619 H\n0.375973 0.603672 0.195619 H\n0.894417 0.751248 0.302506 H\n0.172432 0.906899 0.818533 H\n0.528148 0.697683 0.826755 C\n0.606310 0.004976 0.274966 C\n0.606311 0.504977 0.774966 C\n0.836451 0.902330 0.341165 C\n0.836452 0.402331 0.841165 C\n0.401040 0.942108 0.663464 C\n0.401040 0.442107 0.163464 C\n0.528148 0.197682 0.326755 C\n0.998946 0.989735 0.461533 C\n0.279496 0.807795 0.752972 C\n0.691087 0.286537 0.446288 C\n0.691087 0.786537 0.946288 C\n0.922549 0.183489 0.512920 C\n0.922548 0.683489 0.012920 C\n0.243925 0.872207 0.526977 C\n0.243925 0.372207 0.026977 C\n0.279496 0.307794 0.252972 C\n0.998946 0.489736 0.961533 C\n0.315756 0.209460 0.972271 O\n0.315754 0.709460 0.472271 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.3947593874586293,
"density_atomic": 0.11439979177327043,
"volume": 314.68588746515024,
"volume_molar": 5.2641186375018165,
"formula_full": "H16 C18 O2",
"formula_reduced": "H8C9O",
"formula_anonymous": "AB8C9",
"energy_above_hull": 5.391382416666666,
"spacegroup": 1
},
{
"id": "jvasp-97820",
"created_at": "2022-09-04T14:36:11.331433Z",
"updated_at": "2022-09-04T14:36:11.331452Z",
"structure_string": "Na8 Si8 O20\n1.0\n4.851156 0.000000 0.000000\n0.000000 7.893372 -1.983907\n0.000000 0.009723 12.264646\nNa Si O\n8 8 20\ndirect\n0.778213 0.861197 0.526776 Na\n0.753261 0.379700 0.444258 Na\n0.253260 0.620300 0.055742 Na\n0.246740 0.620299 0.555742 Na\n0.746741 0.379700 0.944258 Na\n0.221787 0.138802 0.473224 Na\n0.721788 0.861198 0.026776 Na\n0.278213 0.138802 0.973224 Na\n0.201950 0.402311 0.776784 Si\n0.178708 0.026384 0.180860 Si\n0.678708 0.973615 0.319140 Si\n0.821293 0.973615 0.819140 Si\n0.321292 0.026384 0.680860 Si\n0.298050 0.402312 0.276783 Si\n0.798051 0.597688 0.223216 Si\n0.701951 0.597688 0.723216 Si\n0.652028 0.016869 0.712649 O\n0.152027 0.983130 0.787351 O\n0.258176 0.903744 0.561222 O\n0.629174 0.449451 0.267597 O\n0.758177 0.096255 0.938778 O\n0.741825 0.096256 0.438778 O\n0.241824 0.903744 0.061222 O\n0.267721 0.389422 0.902229 O\n0.767721 0.610577 0.597771 O\n0.732280 0.610577 0.097771 O\n0.847974 0.016869 0.212649 O\n0.232279 0.389422 0.402229 O\n0.755299 0.774452 0.821651 O\n0.744702 0.774452 0.321650 O\n0.244701 0.225547 0.178349 O\n0.870827 0.449451 0.767598 O\n0.370827 0.550548 0.732403 O\n0.129173 0.550548 0.232402 O\n0.255299 0.225547 0.678349 O\n0.347973 0.983131 0.287351 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"Si",
"O"
],
"chemical_system": "Na-O-Si",
"density": 2.5756274267558217,
"density_atomic": 0.07663958532462922,
"volume": 469.7311428227533,
"volume_molar": 7.857741837317456,
"formula_full": "Na8 Si8 O20",
"formula_reduced": "Na2Si2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.925534744444444,
"spacegroup": 14
},
{
"id": "jvasp-96500",
"created_at": "2022-09-04T14:36:18.610506Z",
"updated_at": "2022-09-04T14:36:18.610536Z",
"structure_string": "Na8 W4 O8 F16\n1.0\n5.037946 0.000000 0.000000\n0.000000 5.431786 0.000000\n0.000000 0.000000 18.480619\nNa W O F\n8 4 8 16\ndirect\n0.000000 0.750001 0.228297 Na\n0.500000 0.250000 0.271703 Na\n0.000000 0.250000 0.771703 Na\n0.500000 0.750001 0.728297 Na\n0.000000 0.750001 0.552372 Na\n0.500000 0.250000 0.947628 Na\n0.000000 0.250000 0.447628 Na\n0.500000 0.750001 0.052372 Na\n0.000000 0.750001 0.893349 W\n0.500000 0.250000 0.606651 W\n0.000000 0.250000 0.106651 W\n0.500000 0.750001 0.393349 W\n0.770661 0.385623 0.047091 O\n0.270661 0.614378 0.452909 O\n0.229340 0.114377 0.047091 O\n0.729340 0.885624 0.452909 O\n0.729340 0.385623 0.547091 O\n0.270661 0.114377 0.547091 O\n0.770661 0.885624 0.952909 O\n0.229340 0.614378 0.952909 O\n0.703490 0.895920 0.306160 F\n0.203489 0.104080 0.193840 F\n0.203489 0.604081 0.806160 F\n0.703490 0.395920 0.693840 F\n0.296511 0.104080 0.693840 F\n0.796512 0.895920 0.806160 F\n0.712286 0.456236 0.374051 F\n0.787715 0.956236 0.125949 F\n0.287715 0.043765 0.374051 F\n0.287715 0.543765 0.625949 F\n0.787715 0.456236 0.874051 F\n0.212285 0.043765 0.874051 F\n0.712286 0.956236 0.625949 F\n0.296511 0.604081 0.306160 F\n0.212285 0.543765 0.125949 F\n0.796512 0.395920 0.193840 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Na",
"W",
"O",
"F"
],
"chemical_system": "F-Na-O-W",
"density": 4.436816077117411,
"density_atomic": 0.07118521935019517,
"volume": 505.72296227533224,
"volume_molar": 8.459819067739502,
"formula_full": "Na8 W4 O8 F16",
"formula_reduced": "Na2W(OF2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.1010440144444442,
"spacegroup": 60
}
]
}