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=volume&page=4377",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4375",
"results": [
{
"id": "jvasp-91329",
"created_at": "2022-09-04T14:35:55.286256Z",
"updated_at": "2022-09-04T14:35:55.286282Z",
"structure_string": "Li4 Cr4 Ge8 O24\n1.0\n5.235513 0.000000 -1.222929\n0.000000 8.760474 0.000000\n0.011868 0.000000 9.630994\nLi Cr Ge O\n4 4 8 24\ndirect\n0.541420 0.489229 0.257938 Li\n0.958580 0.989229 0.742061 Li\n0.458580 0.510770 0.742061 Li\n0.041420 0.010771 0.257939 Li\n0.455744 0.159537 0.748543 Cr\n0.544256 0.840463 0.251456 Cr\n0.955743 0.340463 0.748543 Cr\n0.044256 0.659537 0.251457 Cr\n0.671190 0.158250 0.445356 Ge\n0.773327 0.344889 0.046468 Ge\n0.726672 0.844889 0.953531 Ge\n0.328810 0.841749 0.554644 Ge\n0.273328 0.155111 0.046468 Ge\n0.171190 0.341750 0.445356 Ge\n0.828809 0.658250 0.554643 Ge\n0.226673 0.655111 0.953531 Ge\n0.677506 0.334210 0.855603 O\n0.763069 0.667404 0.362790 O\n0.668153 0.818225 0.613204 O\n0.831846 0.318225 0.386796 O\n0.331847 0.181774 0.386796 O\n0.168154 0.681774 0.613204 O\n0.738423 0.494667 0.633842 O\n0.761577 0.994667 0.366157 O\n0.261577 0.505332 0.366157 O\n0.238423 0.005332 0.633842 O\n0.834803 0.529015 0.112960 O\n0.263070 0.832596 0.362790 O\n0.496027 0.703278 0.881052 O\n0.996027 0.796721 0.881052 O\n0.503973 0.296721 0.118947 O\n0.334803 0.970984 0.112960 O\n0.003973 0.203279 0.118947 O\n0.665197 0.029015 0.887039 O\n0.165197 0.470985 0.887039 O\n0.736931 0.167404 0.637209 O\n0.322493 0.665790 0.144396 O\n0.822493 0.834210 0.144396 O\n0.236931 0.332596 0.637209 O\n0.177507 0.165790 0.855603 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Ge",
"O"
],
"chemical_system": "Cr-Ge-Li-O",
"density": 4.5129067344767195,
"density_atomic": 0.09052677378319984,
"volume": 441.85822965253277,
"volume_molar": 6.652331137329896,
"formula_full": "Li4 Cr4 Ge8 O24",
"formula_reduced": "LiCr(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.3872130300000007,
"spacegroup": 14
},
{
"id": "jvasp-29416",
"created_at": "2022-09-04T14:37:51.099329Z",
"updated_at": "2022-09-04T14:37:51.099360Z",
"structure_string": "Mn4 Sb4 S8 Cl4\n1.0\n3.823740 0.000000 0.000000\n0.000000 9.432167 0.000000\n0.000000 0.000000 12.252403\nMn Sb S Cl\n4 4 8 4\ndirect\n0.250000 0.997301 0.263189 Mn\n0.750000 0.002700 0.736811 Mn\n0.250000 0.497301 0.236811 Mn\n0.750000 0.502700 0.763189 Mn\n0.750000 0.306456 0.465658 Sb\n0.750000 0.806456 0.034342 Sb\n0.250000 0.193545 0.965658 Sb\n0.250000 0.693545 0.534342 Sb\n0.250000 0.948401 0.883045 S\n0.750000 0.051600 0.116955 S\n0.250000 0.253176 0.323187 S\n0.250000 0.448401 0.616955 S\n0.750000 0.246824 0.823187 S\n0.750000 0.551600 0.383045 S\n0.250000 0.753176 0.176813 S\n0.750000 0.746824 0.676813 S\n0.250000 0.563941 0.887612 Cl\n0.750000 0.436059 0.112388 Cl\n0.750000 0.936059 0.387612 Cl\n0.250000 0.063941 0.612388 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mn",
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-Mn-S-Sb",
"density": 4.152781394416589,
"density_atomic": 0.04525940987252352,
"volume": 441.89705646475466,
"volume_molar": 13.305831377302102,
"formula_full": "Mn4 Sb4 S8 Cl4",
"formula_reduced": "MnSbS2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.949743481775862,
"spacegroup": 62
},
{
"id": "jvasp-117038",
"created_at": "2022-09-04T14:38:45.086572Z",
"updated_at": "2022-09-04T14:38:45.086598Z",
"structure_string": "Ba6 Ho2 Ru2 Ir2 O18\n1.0\n5.915939 0.000000 0.000000\n-2.957970 5.123353 0.000000\n-0.000000 -0.000000 14.580156\nBa Ho Ru Ir O\n6 2 2 2 18\ndirect\n0.000000 0.000000 0.749754 Ba\n0.000000 0.000000 0.249754 Ba\n0.666667 0.333333 0.408169 Ba\n0.333333 0.666666 0.594048 Ba\n0.333333 0.666666 0.908169 Ba\n0.666667 0.333333 0.094047 Ba\n0.000000 0.000000 0.500232 Ho\n0.000000 0.000000 0.000232 Ho\n0.666667 0.333333 0.836945 Ru\n0.333333 0.666666 0.336945 Ru\n0.333333 0.666666 0.164376 Ir\n0.666667 0.333333 0.664376 Ir\n0.491145 0.982289 0.251271 O\n0.982290 0.491145 0.751271 O\n0.508855 0.491145 0.751271 O\n0.508855 0.017710 0.751271 O\n0.350663 0.175331 0.585597 O\n0.824669 0.175331 0.585597 O\n0.824668 0.649337 0.585597 O\n0.647533 0.823766 0.411967 O\n0.352467 0.176233 0.911967 O\n0.176233 0.352467 0.411967 O\n0.649337 0.824668 0.085597 O\n0.175331 0.824668 0.085597 O\n0.175331 0.350663 0.085597 O\n0.491145 0.508855 0.251271 O\n0.823767 0.176233 0.911967 O\n0.823766 0.647533 0.911967 O\n0.176233 0.823766 0.411967 O\n0.017710 0.508855 0.251271 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Ba",
"Ho",
"Ru",
"Ir",
"O"
],
"chemical_system": "Ba-Ho-Ir-O-Ru",
"density": 7.621834770040842,
"density_atomic": 0.0678861402185348,
"volume": 441.9164192193853,
"volume_molar": 8.87094293564769,
"formula_full": "Ba6 Ho2 Ru2 Ir2 O18",
"formula_reduced": "Ba3HoIrRuO9",
"formula_anonymous": "ABCD3E9",
"energy_above_hull": 2.444714438444444,
"spacegroup": 186
},
{
"id": "jvasp-34190",
"created_at": "2022-09-04T14:37:08.530154Z",
"updated_at": "2022-09-04T14:37:08.530173Z",
"structure_string": "Rh6 Se16\n1.0\n0.000000 6.038465 0.006282\n6.042754 0.000000 0.000000\n0.000000 -5.892413 -12.117721\nRh Se\n6 16\ndirect\n0.257545 0.985376 0.251013 Rh\n0.742455 0.014623 0.748987 Rh\n0.500000 0.000000 0.000000 Rh\n0.742455 0.485377 0.248987 Rh\n0.257545 0.514623 0.751013 Rh\n0.500000 0.500000 0.500000 Rh\n0.808576 0.875064 0.191353 Se\n0.824961 0.886762 0.939891 Se\n0.808576 0.624935 0.691352 Se\n0.824961 0.613237 0.439891 Se\n0.323865 0.619812 0.943603 Se\n0.308378 0.607929 0.187646 Se\n0.191423 0.375064 0.308648 Se\n0.676135 0.380187 0.056397 Se\n0.691622 0.392071 0.812354 Se\n0.308378 0.892070 0.687646 Se\n0.676136 0.119813 0.556397 Se\n0.175038 0.113237 0.060109 Se\n0.691622 0.107929 0.312354 Se\n0.191424 0.124936 0.808648 Se\n0.175039 0.386762 0.560109 Se\n0.323864 0.880187 0.443604 Se\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Rh",
"Se"
],
"chemical_system": "Rh-Se",
"density": 7.066875411206551,
"density_atomic": 0.04978058757323464,
"volume": 441.93933965995745,
"volume_molar": 12.097367776425973,
"formula_full": "Rh6 Se16",
"formula_reduced": "Rh3Se8",
"formula_anonymous": "A3B8",
"energy_above_hull": 2.1440541757575757,
"spacegroup": 14
},
{
"id": "jvasp-52130",
"created_at": "2022-09-04T14:37:15.968851Z",
"updated_at": "2022-09-04T14:37:15.968861Z",
"structure_string": "Rh6 Se16\n1.0\n0.000000 6.038469 0.006352\n6.042638 0.000000 0.000000\n0.000000 -5.892559 -12.118017\nRh Se\n6 16\ndirect\n0.257536 0.985340 0.251009 Rh\n0.742464 0.014661 0.748991 Rh\n0.500000 0.000000 0.000000 Rh\n0.742464 0.485339 0.248991 Rh\n0.257536 0.514661 0.751010 Rh\n0.500000 0.500000 0.500000 Rh\n0.808577 0.875029 0.191358 Se\n0.824948 0.886781 0.939888 Se\n0.808577 0.624971 0.691358 Se\n0.824948 0.613219 0.439888 Se\n0.323867 0.619817 0.943606 Se\n0.308391 0.607906 0.187642 Se\n0.191423 0.375029 0.308642 Se\n0.676133 0.380183 0.056394 Se\n0.691610 0.392094 0.812358 Se\n0.308391 0.892094 0.687643 Se\n0.676133 0.119817 0.556394 Se\n0.175053 0.113219 0.060112 Se\n0.691610 0.107906 0.312358 Se\n0.191423 0.124971 0.808642 Se\n0.175053 0.386781 0.560112 Se\n0.323867 0.880184 0.443606 Se\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Rh",
"Se"
],
"chemical_system": "Rh-Se",
"density": 7.066873624883313,
"density_atomic": 0.04978057498999025,
"volume": 441.9394513708149,
"volume_molar": 12.097370834328283,
"formula_full": "Rh6 Se16",
"formula_reduced": "Rh3Se8",
"formula_anonymous": "A3B8",
"energy_above_hull": 2.1440541757575757,
"spacegroup": 14
},
{
"id": "jvasp-19083",
"created_at": "2022-09-04T14:36:58.942724Z",
"updated_at": "2022-09-04T14:36:58.942735Z",
"structure_string": "Ba4 Y8 O16\n1.0\n3.473355 -0.000000 0.000000\n0.000000 10.454846 0.000000\n0.000000 0.000000 12.171336\nBa Y O\n4 8 16\ndirect\n0.250000 0.252933 0.149458 Ba\n0.749999 0.747067 0.850543 Ba\n0.250000 0.752933 0.350543 Ba\n0.749999 0.247067 0.649458 Ba\n0.250000 0.922418 0.609043 Y\n0.749999 0.077582 0.390957 Y\n0.749999 0.577582 0.109043 Y\n0.250000 0.422418 0.890958 Y\n0.250000 0.425857 0.389237 Y\n0.749999 0.074143 0.889238 Y\n0.250000 0.925857 0.110763 Y\n0.749999 0.574143 0.610763 Y\n0.749999 0.481890 0.782725 O\n0.250000 0.429807 0.574366 O\n0.749999 0.570193 0.425634 O\n0.250000 0.018110 0.282725 O\n0.749999 0.981891 0.717276 O\n0.250000 0.518110 0.217276 O\n0.250000 0.615944 0.982452 O\n0.250000 0.209864 0.840636 O\n0.250000 0.115944 0.517549 O\n0.749999 0.884056 0.482452 O\n0.250000 0.709864 0.659365 O\n0.749999 0.290136 0.340636 O\n0.749999 0.070193 0.074366 O\n0.749999 0.790137 0.159365 O\n0.749999 0.384056 0.017549 O\n0.250000 0.929807 0.925634 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Y",
"O"
],
"chemical_system": "Ba-O-Y",
"density": 5.697697540599443,
"density_atomic": 0.06335092584507812,
"volume": 441.9824908079916,
"volume_molar": 9.50600276107547,
"formula_full": "Ba4 Y8 O16",
"formula_reduced": "BaY2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.9692401242857136,
"spacegroup": 62
},
{
"id": "jvasp-18999",
"created_at": "2022-09-04T14:37:07.419307Z",
"updated_at": "2022-09-04T14:37:07.419324Z",
"structure_string": "Tm8 S12\n1.0\n0.000000 10.863336 0.009604\n3.866278 0.000000 0.000000\n0.000000 -3.602043 -10.527484\nTm S\n8 12\ndirect\n0.817710 0.250000 0.996921 Tm\n0.182291 0.750000 0.003079 Tm\n0.456065 0.250000 0.809154 Tm\n0.543935 0.750000 0.190846 Tm\n0.067726 0.250000 0.668181 Tm\n0.932275 0.750000 0.331819 Tm\n0.339047 0.250000 0.416679 Tm\n0.660954 0.750000 0.583321 Tm\n0.246003 0.750000 0.776762 S\n0.753998 0.250000 0.223238 S\n0.418490 0.750000 0.598884 S\n0.581511 0.250000 0.401116 S\n0.897173 0.750000 0.562991 S\n0.978719 0.750000 0.114279 S\n0.308016 0.750000 0.250536 S\n0.691984 0.250000 0.749464 S\n0.389310 0.250000 0.036940 S\n0.021282 0.250000 0.885721 S\n0.102827 0.250000 0.437009 S\n0.610691 0.750000 0.963060 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tm",
"S"
],
"chemical_system": "S-Tm",
"density": 6.522480454654464,
"density_atomic": 0.04524603272933257,
"volume": 442.02770482978036,
"volume_molar": 13.309765291523346,
"formula_full": "Tm8 S12",
"formula_reduced": "Tm2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3402137,
"spacegroup": 11
},
{
"id": "jvasp-20933",
"created_at": "2022-09-04T14:38:20.185007Z",
"updated_at": "2022-09-04T14:38:20.185034Z",
"structure_string": "Li24 Ga8 N16\n1.0\n7.836417 -0.000000 -2.770591\n-3.918208 6.786535 -2.770591\n0.000000 -0.000000 8.311774\nLi Ga N\n24 8 16\ndirect\n0.994617 0.470099 0.233455 Li\n0.970099 0.975482 0.236645 Li\n0.733455 0.263356 0.238837 Li\n0.529902 0.766546 0.005384 Li\n0.494617 0.261163 0.524519 Li\n0.238837 0.733455 0.263356 Li\n0.766546 0.005383 0.529902 Li\n0.524519 0.494617 0.261163 Li\n0.261163 0.524519 0.494617 Li\n0.236645 0.970099 0.975481 Li\n0.263356 0.238837 0.733454 Li\n0.005383 0.529902 0.766545 Li\n0.975482 0.236645 0.970098 Li\n0.029902 0.024519 0.763355 Li\n0.736645 0.761164 0.266546 Li\n0.738837 0.475482 0.505383 Li\n0.475482 0.505384 0.738837 Li\n0.233455 0.994617 0.470098 Li\n0.763356 0.029902 0.024519 Li\n0.024519 0.763356 0.029902 Li\n0.470098 0.233455 0.994617 Li\n0.266546 0.736645 0.761163 Li\n0.761164 0.266546 0.736645 Li\n0.505383 0.738837 0.475482 Li\n0.237830 0.237830 0.237830 Ga\n0.000000 0.737830 0.500000 Ga\n0.762171 0.762171 0.762170 Ga\n0.262170 0.500000 0.000000 Ga\n0.500000 0.000000 0.262170 Ga\n0.000000 0.262171 0.500000 Ga\n0.737830 0.500000 0.000000 Ga\n0.500000 0.000000 0.737829 Ga\n0.480326 0.230326 0.250000 N\n0.980326 0.730326 0.250000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.250000 0.480326 0.230326 N\n0.019675 0.269675 0.750000 N\n0.000000 0.000000 0.000000 N\n0.750000 0.519675 0.769675 N\n0.230325 0.250000 0.480325 N\n0.730326 0.250000 0.980325 N\n0.519675 0.769675 0.750000 N\n0.769675 0.750001 0.519675 N\n0.250000 0.980326 0.730325 N\n0.750000 0.019675 0.269675 N\n0.269675 0.750001 0.019675 N\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Ga",
"N"
],
"chemical_system": "Ga-Li-N",
"density": 3.5629991590440424,
"density_atomic": 0.10858801143193988,
"volume": 442.0377476945062,
"volume_molar": 5.545861537186837,
"formula_full": "Li24 Ga8 N16",
"formula_reduced": "Li3GaN2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.0971681375,
"spacegroup": 206
},
{
"id": "jvasp-45309",
"created_at": "2022-09-04T14:38:29.296938Z",
"updated_at": "2022-09-04T14:38:29.296949Z",
"structure_string": "Na2 Er2 P4 S12\n1.0\n6.870589 -0.021137 0.019367\n0.259062 7.062878 -0.049517\n0.345416 0.465865 9.107299\nNa Er P S\n2 2 4 12\ndirect\n0.465105 0.397611 0.271645 Na\n0.534895 0.602387 0.728355 Na\n0.976384 0.119333 0.746707 Er\n0.023617 0.880667 0.253293 Er\n0.349868 0.961418 0.971057 P\n0.650132 0.038582 0.028943 P\n0.932527 0.390483 0.434674 P\n0.067474 0.609517 0.565326 P\n0.700616 0.294448 0.929931 S\n0.299384 0.705552 0.070069 S\n0.351250 0.970023 0.747713 S\n0.145951 0.178929 0.437914 S\n0.701599 0.295299 0.561446 S\n0.836039 0.833021 0.947303 S\n0.870259 0.519341 0.238917 S\n0.298401 0.704700 0.438554 S\n0.648751 0.029976 0.252287 S\n0.129741 0.480658 0.761083 S\n0.854049 0.821070 0.562086 S\n0.163962 0.166979 0.052697 S\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Er",
"P",
"S"
],
"chemical_system": "Er-Na-P-S",
"density": 3.339711444391859,
"density_atomic": 0.04523803978408841,
"volume": 442.1058051024263,
"volume_molar": 13.312116945699687,
"formula_full": "Na2 Er2 P4 S12",
"formula_reduced": "NaEr(PS3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.054604,
"spacegroup": 2
},
{
"id": "jvasp-55420",
"created_at": "2022-09-04T14:38:32.704644Z",
"updated_at": "2022-09-04T14:38:32.704667Z",
"structure_string": "Sr4 Al6 W1 O16\n1.0\n7.836829 -0.000000 -2.770738\n-3.918414 6.786893 -2.770738\n0.000000 0.000000 8.312213\nSr Al W O\n4 6 1 16\ndirect\n0.492010 0.492010 0.492010 Sr\n0.507990 0.000000 -0.000000 Sr\n0.000000 0.507990 -0.000000 Sr\n-0.000000 -0.000000 0.507990 Sr\n0.250000 0.500000 0.750000 Al\n0.500000 0.250000 0.750000 Al\n0.250000 0.750000 0.500000 Al\n0.750000 0.500000 0.250000 Al\n0.500000 0.750000 0.250000 Al\n0.750000 0.250000 0.500000 Al\n0.000000 0.000000 0.000000 W\n0.654656 0.317723 0.654655 O\n0.215920 0.000000 -0.000000 O\n0.345344 -0.000000 0.663068 O\n0.784081 0.784080 0.784080 O\n0.000000 0.345344 0.663068 O\n0.336932 0.336932 0.682276 O\n0.000000 0.663068 0.345344 O\n0.345345 0.663068 -0.000000 O\n0.682277 0.336932 0.336932 O\n0.663068 0.345344 -0.000000 O\n0.654656 0.654655 0.317723 O\n0.317724 0.654655 0.654655 O\n0.663068 0.000000 0.345344 O\n0.336932 0.682276 0.336932 O\n0.000000 0.215919 -0.000000 O\n-0.000000 -0.000000 0.215919 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Sr",
"Al",
"W",
"O"
],
"chemical_system": "Al-O-Sr-W",
"density": 3.5764245737549545,
"density_atomic": 0.06107109794214654,
"volume": 442.10765664598756,
"volume_molar": 9.86086866442921,
"formula_full": "Sr4 Al6 W1 O16",
"formula_reduced": "Sr4Al6WO16",
"formula_anonymous": "AB4C6D16",
"energy_above_hull": 2.461498816296296,
"spacegroup": 217
},
{
"id": "jvasp-32456",
"created_at": "2022-09-04T14:37:06.573576Z",
"updated_at": "2022-09-04T14:37:06.573592Z",
"structure_string": "P8 N8 F16\n1.0\n4.762138 0.003412 0.000000\n-2.279769 6.831396 0.000000\n0.000000 0.000000 13.588423\nP N F\n8 8 16\ndirect\n0.073452 0.691762 0.620063 P\n0.651588 0.795311 0.926297 P\n0.926548 0.308238 0.379936 P\n0.073452 0.191762 0.879936 P\n0.348412 0.704689 0.426297 P\n0.348412 0.204689 0.073703 P\n0.651588 0.295311 0.573703 P\n0.926548 0.808238 0.120063 P\n0.282069 0.769203 0.530609 N\n0.717932 0.730798 0.030609 N\n0.802945 0.502722 0.616031 N\n0.717932 0.230798 0.469391 N\n0.282069 0.269202 0.969391 N\n0.802945 0.002722 0.883968 N\n0.197055 0.497278 0.383968 N\n0.197055 0.997278 0.116031 N\n0.324254 0.860788 0.350388 F\n0.041690 0.639915 0.155178 F\n0.958310 0.360085 0.844821 F\n0.270255 0.681420 0.710396 F\n0.675746 0.139212 0.649612 F\n0.041690 0.139915 0.344822 F\n0.958310 0.860086 0.655178 F\n0.729746 0.818580 0.210397 F\n0.324254 0.360788 0.149612 F\n0.270255 0.181420 0.789603 F\n0.729746 0.318580 0.289603 F\n0.690393 0.240690 0.079379 F\n0.690393 0.740690 0.420620 F\n0.675747 0.639213 0.850388 F\n0.309607 0.259310 0.579379 F\n0.309607 0.759310 0.920620 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"P",
"N",
"F"
],
"chemical_system": "F-N-P",
"density": 2.4929518671876605,
"density_atomic": 0.07237117994738451,
"volume": 442.16496156708683,
"volume_molar": 8.321186367803085,
"formula_full": "P8 N8 F16",
"formula_reduced": "PNF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5185748287500005,
"spacegroup": 14
},
{
"id": "jvasp-104023",
"created_at": "2022-09-04T14:36:59.562359Z",
"updated_at": "2022-09-04T14:36:59.562377Z",
"structure_string": "H36 C20\n1.0\n10.993244 0.000000 -3.445269\n0.000000 4.748458 0.000000\n0.084672 0.000000 8.444876\nH C\n36 20\ndirect\n0.544781 0.343345 0.734874 H\n0.865445 0.292454 0.591191 H\n0.134555 0.707546 0.408809 H\n0.134555 0.792454 0.908809 H\n0.865445 0.207546 0.091191 H\n0.931671 0.032626 0.739039 H\n0.068329 0.967374 0.260961 H\n0.068329 0.532626 0.760962 H\n0.879250 0.969043 0.362712 H\n0.120749 0.030958 0.637288 H\n0.120750 0.469043 0.137288 H\n0.879250 0.530958 0.862712 H\n0.945612 0.706793 0.509054 H\n0.054387 0.293208 0.490946 H\n0.054387 0.206792 0.990946 H\n0.945613 0.793208 0.009054 H\n0.756827 0.790426 0.118450 H\n0.243172 0.209574 0.881550 H\n0.931671 0.467374 0.239038 H\n0.756827 0.709574 0.618450 H\n0.243172 0.290426 0.381550 H\n0.455218 0.656655 0.265126 H\n0.455218 0.843345 0.765126 H\n0.544781 0.156655 0.234874 H\n0.543888 0.273121 0.518490 H\n0.456111 0.773121 0.981510 H\n0.543888 0.226879 0.018490 H\n0.725846 0.045783 0.835976 H\n0.456112 0.726879 0.481510 H\n0.274153 0.954218 0.164024 H\n0.274153 0.545783 0.664024 H\n0.725846 0.454218 0.335976 H\n0.692156 0.958233 0.461452 H\n0.307843 0.041768 0.538548 H\n0.307843 0.458233 0.038547 H\n0.692156 0.541768 0.961453 H\n0.252254 0.437321 0.908913 C\n0.937209 0.936948 0.490504 C\n0.874364 0.437248 0.110762 C\n0.125635 0.562752 0.889238 C\n0.125635 0.937248 0.389238 C\n0.874364 0.062752 0.610762 C\n0.747745 0.562679 0.091087 C\n0.062790 0.063053 0.509496 C\n0.252254 0.062679 0.408913 C\n0.413093 0.759953 0.349717 C\n0.685061 0.422659 0.202907 C\n0.314938 0.577341 0.797093 C\n0.314938 0.922659 0.297093 C\n0.685061 0.077341 0.702907 C\n0.586906 0.259953 0.150283 C\n0.413093 0.740048 0.849717 C\n0.586906 0.240047 0.650283 C\n0.062790 0.436947 0.009496 C\n0.747745 0.937321 0.591087 C\n0.937209 0.563053 0.990504 C\n",
"nsites": 56,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.0382685627724013,
"density_atomic": 0.126634998521557,
"volume": 442.2158222749705,
"volume_molar": 4.7555105857839575,
"formula_full": "H36 C20",
"formula_reduced": "H9C5",
"formula_anonymous": "A5B9",
"energy_above_hull": 4.701415714285714,
"spacegroup": 14
}
]
}