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=-nelements&page=15",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=13",
"results": [
{
"id": "jvasp-52881",
"created_at": "2022-09-04T14:35:44.016599Z",
"updated_at": "2022-09-04T14:35:44.016622Z",
"structure_string": "K3 Ca1 P2 H1 O8\n1.0\n4.939563 2.872917 -0.366286\n-4.939563 2.872917 0.366286\n0.001122 0.000000 7.407871\nK Ca P H O\n3 1 2 1 8\ndirect\n-0.000000 0.000000 0.500000 K\n0.667899 0.332102 0.186990 K\n0.332102 0.667899 0.813010 K\n0.000000 0.000000 0.000000 Ca\n0.662353 0.337648 0.746249 P\n0.337648 0.662353 0.253750 P\n0.500000 0.500001 0.500000 H\n0.817870 0.182131 0.776628 O\n0.182131 0.817871 0.223372 O\n0.621904 0.378097 0.536001 O\n0.378097 0.621904 0.463999 O\n0.821459 0.619388 0.828745 O\n0.380613 0.178542 0.828745 O\n0.178542 0.380613 0.171255 O\n0.619388 0.821460 0.171255 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"K",
"Ca",
"P",
"H",
"O"
],
"chemical_system": "Ca-H-K-O-P",
"density": 2.7510093120146832,
"density_atomic": 0.07134299984402595,
"volume": 210.25188221400612,
"volume_molar": 8.441109531651236,
"formula_full": "K3 Ca1 P2 H1 O8",
"formula_reduced": "K3CaP2HO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 1.869884228,
"spacegroup": 12
},
{
"id": "jvasp-87239",
"created_at": "2022-09-04T14:35:43.996132Z",
"updated_at": "2022-09-04T14:35:43.996150Z",
"structure_string": "Na16 Ca8 P8 O32 F8\n1.0\n7.111886 0.000000 0.000000\n0.000000 9.770519 -4.256343\n0.000000 0.006739 13.351551\nNa Ca P O F\n16 8 8 32 8\ndirect\n0.745957 0.177437 0.090764 Na\n0.254043 0.822563 0.909237 Na\n0.976777 0.453994 0.164569 Na\n0.023223 0.546006 0.835431 Na\n0.226209 0.910887 0.588221 Na\n0.980451 0.761676 0.330197 Na\n0.480451 0.738325 0.669804 Na\n0.523224 0.953994 0.164569 Na\n0.273791 0.410887 0.588221 Na\n0.245957 0.322563 0.909237 Na\n0.754044 0.677437 0.090764 Na\n0.519550 0.261675 0.330197 Na\n0.773792 0.089113 0.411779 Na\n0.019549 0.238325 0.669803 Na\n0.726209 0.589113 0.411779 Na\n0.476777 0.046006 0.835431 Na\n0.493025 0.550060 0.827343 Ca\n0.012426 0.697567 0.668799 Ca\n0.006976 0.050060 0.827343 Ca\n0.487575 0.197567 0.668799 Ca\n0.993025 0.949941 0.172657 Ca\n0.506976 0.449941 0.172657 Ca\n0.987575 0.302433 0.331201 Ca\n0.512426 0.802433 0.331202 Ca\n0.258337 0.059188 0.413681 P\n0.744759 0.355157 0.915888 P\n0.758337 0.440812 0.586319 P\n0.755242 0.855157 0.915889 P\n0.255242 0.644844 0.084112 P\n0.241664 0.559188 0.413681 P\n0.741664 0.940812 0.586320 P\n0.244758 0.144844 0.084112 P\n0.248757 0.997896 0.083966 O\n0.923915 0.276328 0.858112 O\n0.722575 0.585165 0.585559 O\n0.900879 0.903698 0.650276 O\n0.235147 0.132633 0.964492 O\n0.099121 0.096302 0.349724 O\n0.433081 0.720639 0.147452 O\n0.251243 0.497896 0.083966 O\n0.264853 0.632633 0.964493 O\n0.277426 0.414835 0.414441 O\n0.735148 0.367367 0.035508 O\n0.748757 0.502104 0.916034 O\n0.751244 0.002104 0.916034 O\n0.423915 0.223672 0.141888 O\n0.266407 0.169200 0.532056 O\n0.599121 0.403698 0.650276 O\n0.076085 0.723672 0.141888 O\n0.764853 0.867367 0.035508 O\n0.733594 0.830800 0.467944 O\n0.549454 0.950995 0.644843 O\n0.450546 0.049005 0.355157 O\n0.777426 0.085165 0.585559 O\n0.049454 0.549005 0.355157 O\n0.233594 0.669200 0.532056 O\n0.576086 0.776328 0.858112 O\n0.950547 0.450995 0.644843 O\n0.400879 0.596302 0.349724 O\n0.066919 0.220639 0.147452 O\n0.766407 0.330800 0.467944 O\n0.222574 0.914835 0.414441 O\n0.566919 0.279361 0.852549 O\n0.933081 0.779361 0.852549 O\n0.730076 0.380095 0.264592 F\n0.771614 0.119792 0.240675 F\n0.230077 0.119905 0.735408 F\n0.269924 0.619905 0.735408 F\n0.271614 0.380208 0.759325 F\n0.769925 0.880095 0.264593 F\n0.728387 0.619792 0.240675 F\n0.228386 0.880208 0.759325 F\n",
"nsites": 72,
"nelements": 5,
"elements": [
"Na",
"Ca",
"P",
"O",
"F"
],
"chemical_system": "Ca-F-Na-O-P",
"density": 2.863510268422096,
"density_atomic": 0.07758948617191673,
"volume": 927.9607786094629,
"volume_molar": 7.761542261868588,
"formula_full": "Na16 Ca8 P8 O32 F8",
"formula_reduced": "Na2CaPO4F",
"formula_anonymous": "ABCD2E4",
"energy_above_hull": 1.0800086891666665,
"spacegroup": 14
},
{
"id": "jvasp-89957",
"created_at": "2022-09-04T14:35:41.981329Z",
"updated_at": "2022-09-04T14:35:41.981359Z",
"structure_string": "Sr2 Ti2 As2 O1 F2\n1.0\n4.053854 -0.000000 0.000000\n-0.000000 4.053854 0.000000\n-2.026928 -2.026928 9.748717\nSr Ti As O F\n2 2 2 1 2\ndirect\n0.323408 0.323408 0.646817 Sr\n0.676591 0.676591 0.353183 Sr\n-0.000000 0.499999 -0.000000 Ti\n0.499999 -0.000000 -0.000000 Ti\n0.907258 0.907258 0.814520 As\n0.092740 0.092740 0.185480 As\n0.499999 0.499999 -0.000000 O\n0.749999 0.250000 0.500000 F\n0.250000 0.749999 0.500000 F\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Sr",
"Ti",
"As",
"O",
"F"
],
"chemical_system": "As-F-O-Sr-Ti",
"density": 4.921396998824074,
"density_atomic": 0.056177038318987835,
"volume": 160.20780499135,
"volume_molar": 10.719932805650448,
"formula_full": "Sr2 Ti2 As2 O1 F2",
"formula_reduced": "Sr2Ti2As2OF2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 1.4641440946296296,
"spacegroup": 139
},
{
"id": "jvasp-96792",
"created_at": "2022-09-04T14:36:18.351512Z",
"updated_at": "2022-09-04T14:36:18.351538Z",
"structure_string": "K12 Na2 Au4 I2 O16\n1.0\n7.068512 0.000000 -0.371036\n0.000000 9.744818 0.000000\n0.031701 0.000000 10.115422\nK Na Au I O\n12 2 4 2 16\ndirect\n0.599493 0.664126 0.588587 K\n0.750000 0.351996 0.750000 K\n0.117324 0.820879 0.587002 K\n0.250000 0.155822 0.750000 K\n0.099493 0.335874 0.088587 K\n0.750000 0.844178 0.250000 K\n0.617324 0.179121 0.087002 K\n0.900506 0.664126 0.911412 K\n0.250000 0.648004 0.250000 K\n0.400506 0.335874 0.411412 K\n0.882675 0.179121 0.412998 K\n0.382675 0.820879 0.912998 K\n0.750000 0.505841 0.250000 Na\n0.250000 0.494159 0.750000 Na\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.250000 0.044494 0.250000 Au\n0.750000 0.955506 0.750000 Au\n-0.000000 0.500000 0.500000 I\n0.500000 0.500000 -0.000000 I\n0.410156 0.336018 0.907921 O\n0.045044 0.417853 0.332055 O\n0.027233 0.944214 0.810077 O\n0.972766 0.055787 0.189922 O\n0.545044 0.582148 0.832055 O\n0.253997 0.573306 0.513012 O\n0.954955 0.582148 0.667944 O\n0.089843 0.336018 0.592079 O\n0.910156 0.663983 0.407921 O\n0.454955 0.417853 0.167944 O\n0.472767 0.944214 0.689922 O\n0.527233 0.055787 0.310077 O\n0.246002 0.573306 0.986987 O\n0.589843 0.663983 0.092079 O\n0.746002 0.426694 0.486987 O\n0.753997 0.426694 0.013012 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"K",
"Na",
"Au",
"I",
"O"
],
"chemical_system": "Au-I-K-Na-O",
"density": 4.3196419029979065,
"density_atomic": 0.051658920399409725,
"volume": 696.8786750024948,
"volume_molar": 11.65750409307588,
"formula_full": "K12 Na2 Au4 I2 O16",
"formula_reduced": "K6NaAu2IO8",
"formula_anonymous": "ABC2D6E8",
"energy_above_hull": 0.8753364675,
"spacegroup": 13
},
{
"id": "jvasp-101372",
"created_at": "2022-09-04T14:36:31.669246Z",
"updated_at": "2022-09-04T14:36:31.669271Z",
"structure_string": "Rb4 Er4 Se4 Cl8 O12\n1.0\n6.511818 0.000000 -0.815699\n0.000000 6.926431 0.000000\n-0.012108 0.000000 16.615293\nRb Er Se Cl O\n4 4 4 8 12\ndirect\n0.177675 0.198958 0.940092 Rb\n0.677676 0.301042 0.440092 Rb\n0.822325 0.801042 0.059908 Rb\n0.322325 0.698958 0.559907 Rb\n0.876647 0.653257 0.740402 Er\n0.623353 0.153257 0.759598 Er\n0.123353 0.346743 0.259598 Er\n0.376647 0.846743 0.240402 Er\n0.923590 0.841232 0.297518 Se\n0.423589 0.658768 0.797518 Se\n0.576411 0.341232 0.202482 Se\n0.076410 0.158768 0.702482 Se\n0.674362 0.135681 0.918766 Cl\n0.493494 0.162211 0.604020 Cl\n0.993494 0.337789 0.104020 Cl\n0.006506 0.662211 0.895979 Cl\n0.325638 0.864319 0.081234 Cl\n0.825638 0.635681 0.581233 Cl\n0.506506 0.837789 0.395979 Cl\n0.174362 0.364319 0.418766 Cl\n0.423674 0.169768 0.243251 O\n0.716838 0.851633 0.225295 O\n0.919713 0.975948 0.732208 O\n0.419713 0.524051 0.232208 O\n0.923674 0.330232 0.743251 O\n0.576326 0.830232 0.756749 O\n0.080287 0.024051 0.267792 O\n0.216837 0.648367 0.725295 O\n0.076326 0.669768 0.256749 O\n0.580287 0.475949 0.767792 O\n0.283162 0.148367 0.774705 O\n0.783163 0.351633 0.274705 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Rb",
"Er",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-Er-O-Rb-Se",
"density": 3.9940314217137,
"density_atomic": 0.042704127565326246,
"volume": 749.3420852831683,
"volume_molar": 14.102010984272388,
"formula_full": "Rb4 Er4 Se4 Cl8 O12",
"formula_reduced": "RbErSeCl2O3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.0817215002083334,
"spacegroup": 14
},
{
"id": "jvasp-48295",
"created_at": "2022-09-04T14:36:31.792529Z",
"updated_at": "2022-09-04T14:36:31.792549Z",
"structure_string": "Li1 Mn1 P3 H1 O10\n1.0\n4.660981 4.100991 -0.018650\n-4.660981 4.100991 0.018650\n-2.703889 0.000000 5.875068\nLi Mn P H O\n1 1 3 1 10\ndirect\n-0.110124 -0.110124 0.500000 Li\n0.679373 0.679373 -0.000000 Mn\n0.202683 0.560661 0.088634 P\n0.580768 0.580768 0.500000 P\n0.560661 0.202683 0.911366 P\n0.230922 0.230922 0.000000 H\n0.357236 0.673249 0.937732 O\n0.699550 0.990655 -0.001285 O\n0.618939 0.754574 0.628206 O\n0.326187 0.595520 0.339255 O\n0.305865 0.166869 0.877747 O\n0.166869 0.305865 0.122253 O\n0.595520 0.326187 0.660745 O\n0.754574 0.618939 0.371794 O\n0.990655 0.699550 0.001285 O\n0.673249 0.357236 0.062268 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.3391377904379076,
"density_atomic": 0.07136930075297902,
"volume": 224.186027202069,
"volume_molar": 8.437998826475303,
"formula_full": "Li1 Mn1 P3 H1 O10",
"formula_reduced": "LiMnP3HO10",
"formula_anonymous": "ABCD3E10",
"energy_above_hull": 3.0363817963362068,
"spacegroup": 5
},
{
"id": "jvasp-52575",
"created_at": "2022-09-04T14:35:40.985622Z",
"updated_at": "2022-09-04T14:35:40.985645Z",
"structure_string": "Ca2 Cu1 B2 H12 O12\n1.0\n-5.666363 -0.029947 0.002197\n-0.048046 -5.675248 0.053410\n2.687787 0.930102 7.548789\nCa Cu B H O\n2 1 2 12 12\ndirect\n0.777064 0.502947 0.760496 Ca\n0.222936 0.497054 0.239504 Ca\n0.000000 0.000000 0.000000 Cu\n0.249112 0.280522 0.590742 B\n0.750888 0.719480 0.409259 B\n0.517240 0.011753 0.386642 H\n0.957762 0.959068 0.631484 H\n0.792620 0.775178 0.170836 H\n0.308638 0.707553 0.956998 H\n0.190138 0.639247 0.619436 H\n0.556472 0.941055 0.894184 H\n0.691361 0.292449 0.043003 H\n0.207380 0.224824 0.829165 H\n0.443528 0.058946 0.105817 H\n0.042238 0.040933 0.368516 H\n0.482759 -0.011752 0.613359 H\n0.809862 0.360754 0.380564 H\n0.901839 0.789076 0.596547 O\n0.678898 0.823318 0.946191 O\n0.149456 0.691154 0.978467 O\n0.324055 0.532897 0.604462 O\n0.675945 0.467105 0.395538 O\n0.098161 0.210925 0.403454 O\n0.321102 0.176684 0.053810 O\n0.096817 0.239809 0.704561 O\n0.489946 0.158538 0.649434 O\n0.903183 0.760192 0.295439 O\n0.850544 0.308847 0.021535 O\n0.510054 0.841464 0.350567 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Ca",
"Cu",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-Cu-H-O",
"density": 2.5238163680896077,
"density_atomic": 0.11931514133542111,
"volume": 243.0538125791983,
"volume_molar": 5.047256108988244,
"formula_full": "Ca2 Cu1 B2 H12 O12",
"formula_reduced": "Ca2CuB2(HO)12",
"formula_anonymous": "AB2C2D12E12",
"energy_above_hull": 2.9331413260919543,
"spacegroup": 2
},
{
"id": "jvasp-98873",
"created_at": "2022-09-04T14:35:40.992739Z",
"updated_at": "2022-09-04T14:35:40.992754Z",
"structure_string": "Fe4 Te4 S8 N8 Cl20\n1.0\n7.308607 0.000000 -0.946326\n0.000000 12.148112 0.000000\n-0.003109 0.000000 12.377628\nFe Te S N Cl\n4 4 8 8 20\ndirect\n0.727501 0.857004 0.461605 Fe\n0.272500 0.357004 0.038395 Fe\n0.272500 0.142996 0.538395 Fe\n0.727500 0.642995 0.961605 Fe\n0.135034 0.939738 0.261077 Te\n0.864966 0.439738 0.238923 Te\n0.864966 0.060262 0.738923 Te\n0.135034 0.560262 0.761077 Te\n0.378838 0.018712 0.158175 S\n0.705945 0.196730 0.914800 S\n0.705945 0.303269 0.414800 S\n0.621163 0.518712 0.341825 S\n0.294055 0.696730 0.585200 S\n0.378838 0.481288 0.658175 S\n0.621162 0.981288 0.841825 S\n0.294055 0.803269 0.085200 S\n0.596677 0.085985 0.920593 N\n0.156478 0.694342 0.671697 N\n0.156478 0.805658 0.171697 N\n0.843522 0.194342 0.828303 N\n0.843522 0.305658 0.328303 N\n0.403323 0.585985 0.579407 N\n0.403323 0.914015 0.079407 N\n0.596677 0.414015 0.420593 N\n0.266300 0.328468 0.861165 Cl\n0.862006 0.496610 0.648960 Cl\n0.467352 0.796574 0.372536 Cl\n0.945433 0.762529 0.396834 Cl\n0.733700 0.828468 0.638835 Cl\n0.236859 0.968362 0.570570 Cl\n0.763141 0.468362 0.929430 Cl\n0.945433 0.737471 0.896834 Cl\n0.236860 0.531638 0.070570 Cl\n0.763141 0.031638 0.429430 Cl\n0.733701 0.671531 0.138835 Cl\n0.137994 0.503390 0.351040 Cl\n0.862006 0.003390 0.148960 Cl\n0.266300 0.171532 0.361165 Cl\n0.054568 0.262529 0.103165 Cl\n0.054568 0.237471 0.603165 Cl\n0.137994 0.996610 0.851040 Cl\n0.532649 0.203426 0.627463 Cl\n0.467352 0.703426 0.872537 Cl\n0.532649 0.296574 0.127463 Cl\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Fe",
"Te",
"S",
"N",
"Cl"
],
"chemical_system": "Cl-Fe-N-S-Te",
"density": 2.7371589828034075,
"density_atomic": 0.040039254096139267,
"volume": 1098.9215706753798,
"volume_molar": 15.040591779107784,
"formula_full": "Fe4 Te4 S8 N8 Cl20",
"formula_reduced": "FeTeS2N2Cl5",
"formula_anonymous": "ABC2D2E5",
"energy_above_hull": 2.0605109185606065,
"spacegroup": 14
},
{
"id": "jvasp-50689",
"created_at": "2022-09-04T14:36:33.720502Z",
"updated_at": "2022-09-04T14:36:33.720526Z",
"structure_string": "Li4 Ti3 Cu3 Te2 O16\n1.0\n5.953435 -0.000431 0.000121\n-2.976204 5.158610 0.017688\n-0.000284 -0.265022 10.098422\nLi Ti Cu Te O\n4 3 3 2 16\ndirect\n0.343824 0.687684 0.087496 Li\n0.008017 0.016078 0.019666 Li\n0.987157 0.974322 0.511801 Li\n0.664228 0.328456 0.598487 Li\n0.167221 0.818071 0.782270 Ti\n0.650842 0.818091 0.782265 Ti\n0.826146 0.652303 0.276036 Ti\n0.337779 0.168468 0.284402 Cu\n0.830661 0.168466 0.284404 Cu\n0.170856 0.341710 0.797817 Cu\n0.321105 0.642208 0.495593 Te\n0.668353 0.336748 0.014004 Te\n0.834508 0.669030 0.905752 O\n0.338132 0.166557 0.917755 O\n0.667574 0.335171 0.380771 O\n0.973617 0.519014 0.135195 O\n0.545382 0.519038 0.135188 O\n0.148597 0.297180 0.414047 O\n0.523034 0.538453 0.669304 O\n0.490850 0.981747 0.686684 O\n0.649255 0.786505 0.390491 O\n-0.000082 -0.000132 0.201042 O\n0.001829 0.003672 0.705509 O\n0.341641 0.683290 0.893188 O\n0.528192 0.056449 0.145410 O\n0.137221 0.786492 0.390494 O\n0.015419 0.538395 0.669328 O\n0.828359 0.166541 0.917762 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Cu",
"Te",
"O"
],
"chemical_system": "Cu-Li-O-Te-Ti",
"density": 4.675032563223917,
"density_atomic": 0.09027824953387482,
"volume": 310.1522254205167,
"volume_molar": 6.670644137534292,
"formula_full": "Li4 Ti3 Cu3 Te2 O16",
"formula_reduced": "Li4Ti3Cu3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.377600281547619,
"spacegroup": 8
},
{
"id": "jvasp-102205",
"created_at": "2022-09-04T14:36:34.133553Z",
"updated_at": "2022-09-04T14:36:34.133580Z",
"structure_string": "La2 Fe1 As2 Ru1 O2\n1.0\n4.076371 0.000000 0.000000\n0.000000 4.076371 0.000000\n-0.000000 -0.000000 8.603434\nLa Fe As Ru O\n2 1 2 1 2\ndirect\n0.500000 0.000000 0.857224 La\n0.000000 0.500000 0.142775 La\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.350852 As\n0.000000 0.500000 0.649148 As\n0.000000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 8,
"nelements": 5,
"elements": [
"La",
"Fe",
"As",
"Ru",
"O"
],
"chemical_system": "As-Fe-La-O-Ru",
"density": 7.161612164874402,
"density_atomic": 0.055959103602183626,
"volume": 142.96154664793139,
"volume_molar": 10.76168196476436,
"formula_full": "La2 Fe1 As2 Ru1 O2",
"formula_reduced": "La2FeAs2RuO2",
"formula_anonymous": "ABC2D2E2",
"energy_above_hull": 2.8358933125,
"spacegroup": 115
},
{
"id": "jvasp-28508",
"created_at": "2022-09-04T14:36:41.574179Z",
"updated_at": "2022-09-04T14:36:41.574203Z",
"structure_string": "Te2 Mo2 W1 Se2 S2\n1.0\n3.353305 0.000000 0.000000\n-1.676652 2.900757 0.139828\n0.000000 0.982870 20.106353\nTe Mo W Se S\n2 2 1 2 2\ndirect\n0.810556 0.621113 -0.085017 Te\n0.746880 0.493761 0.104565 Te\n0.445392 0.890783 0.009773 Mo\n0.662969 0.325940 0.357085 Mo\n0.224955 0.449910 0.674105 W\n0.301733 0.603468 0.440174 Se\n0.357528 0.715056 0.273987 Se\n0.583825 0.167651 0.598082 S\n0.532762 0.065524 0.750086 S\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 7.259215960377943,
"density_atomic": 0.04612637994556396,
"volume": 195.11611382946913,
"volume_molar": 13.055741133613841,
"formula_full": "Te2 Mo2 W1 Se2 S2",
"formula_reduced": "Te2Mo2W(SeS)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 3.661654896296296,
"spacegroup": 160
},
{
"id": "jvasp-103856",
"created_at": "2022-09-04T14:36:41.629264Z",
"updated_at": "2022-09-04T14:36:41.629293Z",
"structure_string": "H2 C4 S4 N2 O2\n1.0\n3.668600 -0.028713 0.012426\n-0.410142 4.185795 -0.115653\n-0.001905 -0.085119 13.182298\nH C S N O\n2 4 4 2 2\ndirect\n0.782700 0.210192 0.155810 H\n0.282705 0.210191 0.655810 H\n0.836067 0.670456 0.207871 C\n0.336070 0.670455 0.707871 C\n0.331303 0.179369 0.808284 C\n0.831301 0.179370 0.308284 C\n0.480928 0.303866 0.919004 S\n-0.019071 0.303866 0.419004 S\n0.001923 0.795100 0.098089 S\n0.501927 0.795100 0.598089 S\n0.766561 0.345211 0.223143 N\n0.266564 0.345210 0.723143 N\n0.737354 0.843783 0.290507 O\n0.237357 0.843783 0.790507 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.9569042412703943,
"density_atomic": 0.06922583392626849,
"volume": 202.23663921349382,
"volume_molar": 8.699267915521396,
"formula_full": "H2 C4 S4 N2 O2",
"formula_reduced": "HC2S2NO",
"formula_anonymous": "ABCD2E2",
"energy_above_hull": 4.233143821428571,
"spacegroup": 1
}
]
}