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=-id&page=101",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=99",
"results": [
{
"id": "jvasp-97988",
"created_at": "2022-09-04T14:35:47.939314Z",
"updated_at": "2022-09-04T14:35:47.939345Z",
"structure_string": "Ho1 Mn12\n1.0\n4.238880 0.000000 1.660254\n2.119440 5.825524 0.830127\n-0.005110 0.000000 6.254426\nHo Mn\n1 12\ndirect\n0.000000 0.000000 0.000000 Ho\n0.725820 0.774179 0.774180 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.364431 0.635569 0.635569 Mn\n0.000000 0.364431 0.635570 Mn\n0.000000 0.635569 0.364432 Mn\n0.635569 0.364431 0.364431 Mn\n0.274180 0.225820 0.225820 Mn\n0.500000 0.774179 0.225820 Mn\n0.500000 0.225820 0.774180 Mn\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Ho",
"Mn"
],
"chemical_system": "Ho-Mn",
"density": 8.8585420927109,
"density_atomic": 0.08414548571893447,
"volume": 154.49432478675124,
"volume_molar": 7.156819772976715,
"formula_full": "Ho1 Mn12",
"formula_reduced": "HoMn12",
"formula_anonymous": "AB12",
"energy_above_hull": 4.936453266401415,
"spacegroup": 139
},
{
"id": "jvasp-97985",
"created_at": "2022-09-04T14:35:42.906570Z",
"updated_at": "2022-09-04T14:35:42.906596Z",
"structure_string": "Sn2 Hg2 O6\n1.0\n4.915635 -0.011787 2.955028\n1.665748 4.624812 2.955028\n-0.016816 -0.011787 5.735448\nSn Hg O\n2 2 6\ndirect\n0.500000 0.499999 0.500001 Sn\n0.000000 0.000000 0.000000 Sn\n0.749999 0.749999 0.750002 Hg\n0.250000 0.250000 0.250001 Hg\n0.146658 0.749999 0.353343 O\n0.750000 0.353341 0.146659 O\n0.353341 0.146657 0.750001 O\n0.853341 0.249999 0.646660 O\n0.646658 0.853341 0.250001 O\n0.250000 0.646657 0.853343 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sn",
"Hg",
"O"
],
"chemical_system": "Hg-O-Sn",
"density": 9.32266263508099,
"density_atomic": 0.0764261663491025,
"volume": 130.84523897642072,
"volume_molar": 7.879684468918438,
"formula_full": "Sn2 Hg2 O6",
"formula_reduced": "SnHgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.04277736,
"spacegroup": 167
},
{
"id": "jvasp-97984",
"created_at": "2022-09-04T14:35:41.481661Z",
"updated_at": "2022-09-04T14:35:41.481690Z",
"structure_string": "Tb2 Ta2 O8\n1.0\n5.157078 0.002000 0.000000\n-0.619572 5.315460 0.000000\n0.000000 0.000000 5.483903\nTb Ta O\n2 2 8\ndirect\n0.000000 0.750000 0.764879 Tb\n0.000000 0.250000 0.235121 Tb\n0.500000 0.250000 0.694580 Ta\n0.500000 0.750000 0.305420 Ta\n0.732248 0.008798 0.561841 O\n0.267752 0.491202 0.561841 O\n0.267753 0.991202 0.438159 O\n0.732248 0.508798 0.438159 O\n0.251238 0.600303 0.082028 O\n0.748763 0.899696 0.082028 O\n0.748762 0.399696 0.917972 O\n0.251238 0.100303 0.917972 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Ta",
"O"
],
"chemical_system": "O-Ta-Tb",
"density": 8.922111161791804,
"density_atomic": 0.07982286214319373,
"volume": 150.33287053116783,
"volume_molar": 7.544380893279572,
"formula_full": "Tb2 Ta2 O8",
"formula_reduced": "TbTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7015252666666667,
"spacegroup": 13
},
{
"id": "jvasp-97983",
"created_at": "2022-09-04T14:35:41.570938Z",
"updated_at": "2022-09-04T14:35:41.570954Z",
"structure_string": "Er6 Fe2 Si6\n1.0\n4.071110 0.000000 0.670524\n2.007176 5.187230 0.507568\n0.006074 -0.044655 12.657327\nEr Fe Si\n6 2 6\ndirect\n0.748736 0.732111 0.770417 Er\n0.251264 0.267890 0.229583 Er\n0.523761 0.332192 0.620286 Er\n0.476239 0.667809 0.379714 Er\n0.399152 0.282652 0.919044 Er\n0.600848 0.717349 0.080956 Er\n0.753060 0.078505 0.415375 Fe\n0.246940 0.921496 0.584625 Fe\n0.144793 0.254408 0.456005 Si\n0.855206 0.745593 0.543995 Si\n0.115566 0.844127 0.924741 Si\n0.884433 0.155875 0.075259 Si\n0.054279 0.133744 0.757697 Si\n0.945721 0.866257 0.242303 Si\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Er",
"Fe",
"Si"
],
"chemical_system": "Er-Fe-Si",
"density": 7.974870329574519,
"density_atomic": 0.05237448236516635,
"volume": 267.305744472832,
"volume_molar": 11.498234422657044,
"formula_full": "Er6 Fe2 Si6",
"formula_reduced": "Er3FeSi3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.652850185714285,
"spacegroup": 12
},
{
"id": "jvasp-97982",
"created_at": "2022-09-04T14:36:19.516454Z",
"updated_at": "2022-09-04T14:36:19.516481Z",
"structure_string": "Ba8 Cd8 Sn8 S32\n1.0\n12.296289 0.017513 -3.431725\n-7.041403 10.080559 -3.431725\n-0.006221 -0.011954 12.849590\nBa Cd Sn S\n8 8 8 32\ndirect\n0.998622 0.998622 0.000001 Ba\n0.245033 0.242817 0.495044 Ba\n0.747773 0.749989 0.504957 Ba\n0.992817 0.495033 0.995044 Ba\n0.748622 0.248622 0.500000 Ba\n0.244700 0.744700 0.500000 Ba\n0.494700 0.494700 0.000000 Ba\n0.499989 0.997773 0.004957 Ba\n0.329707 0.978731 0.249516 Cd\n0.830192 0.979215 0.250485 Cd\n0.728731 0.579707 0.749516 Cd\n0.729215 0.080192 0.750485 Cd\n0.261189 0.485809 0.248329 Cd\n0.237481 0.012860 0.751672 Cd\n0.762860 0.487481 0.251672 Cd\n0.235810 0.511189 0.748329 Cd\n0.487056 0.763246 0.250972 Sn\n0.512275 0.236085 0.749029 Sn\n0.016634 0.652398 0.750296 Sn\n0.402398 0.266633 0.250295 Sn\n0.016338 0.152103 0.749705 Sn\n0.513247 0.737056 0.750972 Sn\n0.902103 0.266338 0.249705 Sn\n0.986085 0.762275 0.249030 Sn\n0.294819 0.052565 0.077493 S\n0.967326 0.225072 0.422507 S\n0.802565 0.544819 0.577494 S\n0.975072 0.217326 0.922507 S\n0.465233 0.222713 0.421889 S\n0.302015 0.041786 0.579078 S\n0.800824 0.043344 0.578111 S\n0.972714 0.715233 0.921890 S\n0.793344 0.050824 0.078111 S\n0.476559 0.215065 0.921638 S\n0.293427 0.554922 0.078363 S\n0.965065 0.726559 0.421638 S\n0.304922 0.543427 0.578363 S\n0.180126 0.765979 0.248500 S\n0.517479 0.931626 0.751501 S\n0.515979 0.430125 0.748500 S\n0.681626 0.767479 0.251501 S\n0.472938 0.712709 0.920923 S\n0.212848 0.273071 0.248572 S\n0.023072 0.462848 0.748573 S\n0.714275 0.274499 0.251428 S\n0.047091 0.468394 0.246998 S\n0.221397 0.800093 0.753003 S\n0.218394 0.297091 0.746998 S\n0.550093 0.471396 0.253003 S\n0.028978 0.965184 0.246840 S\n0.718344 0.782138 0.753161 S\n0.715184 0.278977 0.746840 S\n0.532138 0.968344 0.253161 S\n0.462709 0.722937 0.420923 S\n0.024500 0.964276 0.751428 S\n0.791786 0.552015 0.079078 S\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ba",
"Cd",
"Sn",
"S"
],
"chemical_system": "Ba-Cd-S-Sn",
"density": 4.141285213826088,
"density_atomic": 0.035146568498011205,
"volume": 1593.3276673416583,
"volume_molar": 17.134363374167716,
"formula_full": "Ba8 Cd8 Sn8 S32",
"formula_reduced": "BaCdSnS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.7968096314285713,
"spacegroup": 43
},
{
"id": "jvasp-97980",
"created_at": "2022-09-04T14:36:16.760758Z",
"updated_at": "2022-09-04T14:36:16.760784Z",
"structure_string": "Sb2 Mo4 S4\n1.0\n3.219211 0.000000 0.000000\n0.000000 6.308482 -1.758556\n0.000000 0.002335 9.498516\nSb Mo S\n2 4 4\ndirect\n0.750000 0.003309 0.662718 Sb\n0.250000 0.996690 0.337281 Sb\n0.750000 0.105064 0.113363 Mo\n0.750000 0.339032 0.520309 Mo\n0.250000 0.894935 0.886637 Mo\n0.250000 0.660967 0.479690 Mo\n0.250000 0.266441 0.992087 S\n0.250000 0.525125 0.690838 S\n0.750000 0.733557 0.007913 S\n0.750000 0.474874 0.309162 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sb",
"Mo",
"S"
],
"chemical_system": "Mo-S-Sb",
"density": 6.5034937840616776,
"density_atomic": 0.0518370371031832,
"volume": 192.91226039973495,
"volume_molar": 11.617447864569778,
"formula_full": "Sb2 Mo4 S4",
"formula_reduced": "Sb(MoS)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.58478158,
"spacegroup": 11
},
{
"id": "jvasp-9798",
"created_at": "2022-09-04T14:38:08.617630Z",
"updated_at": "2022-09-04T14:38:08.617653Z",
"structure_string": "Ca2 Bi4 O8\n1.0\n7.081440 -0.024230 -0.003348\n-0.044387 7.082087 -0.001727\n-3.516067 -3.527818 5.028177\nCa Bi O\n2 4 8\ndirect\n0.624999 0.875003 0.749955 Ca\n0.374979 0.124994 0.249961 Ca\n0.001132 0.487978 0.487922 Bi\n0.986766 -0.000032 0.487858 Bi\n0.012055 0.498884 0.012057 Bi\n0.500027 0.513159 0.012025 Bi\n0.266302 0.728974 0.009226 O\n0.219889 0.257235 0.490907 O\n0.771019 0.233689 0.490992 O\n0.752859 0.765107 0.035695 O\n0.229324 0.717076 0.464278 O\n0.734987 0.747110 0.464236 O\n0.242838 0.280167 0.009100 O\n0.782818 0.270657 0.035785 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O",
"density": 6.878835099194433,
"density_atomic": 0.05554731293171356,
"volume": 252.03739408980476,
"volume_molar": 10.841461885659974,
"formula_full": "Ca2 Bi4 O8",
"formula_reduced": "Ca(BiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5362990028571426,
"spacegroup": 98
},
{
"id": "jvasp-97979",
"created_at": "2022-09-04T14:36:13.248099Z",
"updated_at": "2022-09-04T14:36:13.248128Z",
"structure_string": "La2 Mg4 Ni2\n1.0\n4.180863 -0.000000 0.000000\n-2.090431 5.079768 0.000000\n-0.000000 0.000000 8.281885\nLa Mg Ni\n2 4 2\ndirect\n0.559742 0.119484 0.250000 La\n0.440258 0.880516 0.750000 La\n0.154443 0.308885 0.555207 Mg\n0.845557 0.691115 0.444793 Mg\n0.154443 0.308885 0.944793 Mg\n0.845557 0.691115 0.055207 Mg\n0.725659 0.451318 0.750000 Ni\n0.274341 0.548682 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Mg",
"Ni"
],
"chemical_system": "La-Mg-Ni",
"density": 4.648831206406482,
"density_atomic": 0.04548319628636489,
"volume": 175.88913386015196,
"volume_molar": 13.240364028253966,
"formula_full": "La2 Mg4 Ni2",
"formula_reduced": "LaMg2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.223028875,
"spacegroup": 63
},
{
"id": "jvasp-97978",
"created_at": "2022-09-04T14:36:11.321634Z",
"updated_at": "2022-09-04T14:36:11.321647Z",
"structure_string": "Yb4 In4 Rh4\n1.0\n4.165103 -0.000000 0.000000\n0.000000 7.141033 0.000000\n0.000000 0.000000 8.479686\nYb In Rh\n4 4 4\ndirect\n0.250000 0.528457 0.675869 Yb\n0.749999 0.471543 0.324131 Yb\n0.250000 0.028457 0.824132 Yb\n0.749999 0.971542 0.175869 Yb\n0.749999 0.851116 0.563252 In\n0.250000 0.148884 0.436749 In\n0.749999 0.351116 0.936749 In\n0.250000 0.648884 0.063251 In\n0.250000 0.264221 0.132210 Rh\n0.749999 0.735779 0.867790 Rh\n0.250000 0.764221 0.367790 Rh\n0.749999 0.235779 0.632210 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"In",
"Rh"
],
"chemical_system": "In-Rh-Yb",
"density": 10.290975000142675,
"density_atomic": 0.04757893203683328,
"volume": 252.2124706521405,
"volume_molar": 12.657158330787993,
"formula_full": "Yb4 In4 Rh4",
"formula_reduced": "YbInRh",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2895576533333333,
"spacegroup": 62
},
{
"id": "jvasp-97977",
"created_at": "2022-09-04T14:36:09.844869Z",
"updated_at": "2022-09-04T14:36:09.844888Z",
"structure_string": "Rb4 B4 Se12\n1.0\n6.208857 0.011997 0.000000\n-1.960142 6.957668 0.000000\n0.000000 0.000000 12.397664\nRb B Se\n4 4 12\ndirect\n0.208298 0.256254 0.424539 Rb\n0.791703 0.743747 0.575460 Rb\n0.708298 0.256254 0.075460 Rb\n0.291703 0.743747 0.924539 Rb\n0.674980 0.697180 0.229176 B\n0.174980 0.697179 0.270824 B\n0.325021 0.302821 0.770824 B\n0.825021 0.302821 0.729176 B\n0.322172 0.055026 0.681481 Se\n0.822172 0.055026 0.818519 Se\n0.677829 0.944975 0.318519 Se\n0.333784 0.794722 0.413772 Se\n0.666217 0.205279 0.586228 Se\n0.833785 0.794722 0.086228 Se\n0.356884 0.532396 0.191490 Se\n0.143116 0.467604 0.691490 Se\n0.643117 0.467605 0.808510 Se\n0.856885 0.532396 0.308510 Se\n0.177829 0.944975 0.181481 Se\n0.166216 0.205278 0.913772 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"B",
"Se"
],
"chemical_system": "B-Rb-Se",
"density": 4.129607818123257,
"density_atomic": 0.03732316176689458,
"volume": 535.8602822802617,
"volume_molar": 16.135130237925345,
"formula_full": "Rb4 B4 Se12",
"formula_reduced": "RbBSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5243345366666667,
"spacegroup": 14
},
{
"id": "jvasp-97974",
"created_at": "2022-09-04T14:36:07.189061Z",
"updated_at": "2022-09-04T14:36:07.189081Z",
"structure_string": "Y16 Si8 S12 O28\n1.0\n-5.852067 -5.852067 -6.822206\n-5.852067 5.852067 6.822206\n-5.852067 5.852067 -6.822206\nY Si S O\n16 8 12 28\ndirect\n0.985560 0.644318 0.841242 Y\n0.594166 0.297083 0.452918 Y\n0.094166 0.047083 0.202917 Y\n0.750000 0.047083 0.547083 Y\n0.250000 0.952918 0.452917 Y\n0.905835 0.952918 0.797083 Y\n0.750000 0.702918 0.202917 Y\n0.405835 0.702918 0.547083 Y\n0.250000 0.297083 0.797083 Y\n0.985560 0.341242 0.673199 Y\n0.514441 0.341242 0.144318 Y\n0.014441 0.355683 0.158758 Y\n0.514441 0.173199 0.841242 Y\n0.014441 0.658759 0.326801 Y\n0.485559 0.658758 0.855683 Y\n0.485559 0.826801 0.158758 Y\n0.374991 0.470898 0.404093 Si\n0.874991 0.095907 0.029102 Si\n0.625010 0.095907 0.279084 Si\n0.125009 0.220917 0.404093 Si\n0.125009 0.904093 0.970899 Si\n0.374991 0.904093 0.720917 Si\n0.874991 0.779084 0.595908 Si\n0.625010 0.529102 0.595908 Si\n0.750000 0.375000 0.875001 S\n0.750000 0.875000 0.375000 S\n0.250000 0.125000 0.625000 S\n0.250000 0.625000 0.125000 S\n0.853823 0.353823 0.500000 S\n0.353823 0.353823 -0.000000 S\n0.146177 0.500000 0.853823 S\n0.853823 0.500000 0.146177 S\n0.646177 0.646177 -0.000000 S\n0.146177 0.646177 0.500000 S\n0.353823 -0.000000 0.146177 S\n0.646177 -0.000000 0.853823 S\n0.767660 0.917884 0.067580 O\n0.982907 0.809008 0.673900 O\n0.482907 0.826101 0.690993 O\n0.017093 0.826101 0.156806 O\n0.517093 0.343194 0.673900 O\n0.517093 0.173899 0.309007 O\n0.485464 0.917884 0.349777 O\n0.982907 0.173899 0.843194 O\n0.482907 0.656806 0.326101 O\n0.750000 0.600204 0.649797 O\n0.250000 0.850204 0.899797 O\n0.017093 0.190993 0.326101 O\n0.267660 0.432420 0.582117 O\n0.732340 0.164760 0.349777 O\n0.014536 0.164760 0.067580 O\n0.985464 0.150224 0.582117 O\n0.232340 0.150224 0.335240 O\n0.232340 0.082116 0.932420 O\n0.514537 0.082116 0.650224 O\n0.732340 0.567580 0.417884 O\n0.485464 0.567580 0.664760 O\n0.985464 0.835240 0.932420 O\n0.267660 0.835240 0.650224 O\n0.014536 0.849777 0.417884 O\n0.767660 0.849777 0.664760 O\n0.250000 0.399797 0.350204 O\n0.514537 0.432420 0.335240 O\n0.750000 0.149797 0.100203 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Y",
"Si",
"S",
"O"
],
"chemical_system": "O-S-Si-Y",
"density": 4.406431380285309,
"density_atomic": 0.06848202190769598,
"volume": 934.551846121934,
"volume_molar": 8.793754320100229,
"formula_full": "Y16 Si8 S12 O28",
"formula_reduced": "Y4Si2S3O7",
"formula_anonymous": "A2B3C4D7",
"energy_above_hull": 2.96179959375,
"spacegroup": 141
},
{
"id": "jvasp-97973",
"created_at": "2022-09-04T14:36:01.624990Z",
"updated_at": "2022-09-04T14:36:01.625021Z",
"structure_string": "Mg16 Si16 O48\n1.0\n18.372208 0.000000 0.012978\n0.000000 8.843102 0.000000\n0.006382 0.000000 5.199006\nMg Si O\n16 16 48\ndirect\n0.874295 0.846125 0.072122 Mg\n0.380251 0.011358 0.855483 Mg\n0.619749 0.511357 0.644519 Mg\n0.619749 0.988642 0.144518 Mg\n0.380251 0.488642 0.355483 Mg\n0.625353 0.153740 0.642763 Mg\n0.625354 0.346259 0.142762 Mg\n0.374646 0.846259 0.357239 Mg\n0.374646 0.653740 0.857239 Mg\n0.126649 0.513004 0.931222 Mg\n0.126649 0.986996 0.431221 Mg\n0.873351 0.486996 0.068779 Mg\n0.874295 0.653875 0.572123 Mg\n0.125705 0.153875 0.927879 Mg\n0.125705 0.346125 0.427878 Mg\n0.873351 0.013004 0.568780 Mg\n0.772994 0.339630 0.490804 Si\n0.473185 0.162956 0.306787 Si\n0.526815 0.662956 0.193214 Si\n0.526815 0.837044 0.693215 Si\n0.473185 0.337044 0.806787 Si\n0.772994 0.160370 0.990804 Si\n0.227006 0.839630 0.009197 Si\n0.227006 0.660369 0.509198 Si\n0.725955 0.839551 0.423551 Si\n0.725955 0.660448 0.923551 Si\n0.274045 0.160449 0.576451 Si\n0.274045 0.339551 0.076450 Si\n0.977475 0.158889 0.267351 Si\n0.022525 0.658889 0.232650 Si\n0.022525 0.841110 0.732650 Si\n0.977475 0.341111 0.767352 Si\n0.198962 0.799196 0.709357 O\n0.185969 0.510336 0.608051 O\n0.814031 0.010336 0.891951 O\n0.683939 0.158811 0.980593 O\n0.185969 0.989664 0.108050 O\n0.316061 0.658811 0.519409 O\n0.801038 0.299196 0.790645 O\n0.683939 0.341189 0.480592 O\n0.814031 0.489664 0.391950 O\n0.801038 0.200804 0.290644 O\n0.437931 0.662537 0.191442 O\n0.562069 0.337463 0.808559 O\n0.437931 0.837463 0.691443 O\n0.562069 0.162537 0.308559 O\n0.433737 0.483149 0.688888 O\n0.566263 0.983149 0.811114 O\n0.566263 0.516851 0.311114 O\n0.433737 0.016851 0.188887 O\n0.446633 0.191363 0.615883 O\n0.553367 0.691363 0.884119 O\n0.316061 0.841189 0.019409 O\n0.198962 0.700804 0.209357 O\n0.304558 0.289764 0.369794 O\n0.937420 -0.001343 0.247098 O\n0.695442 0.710236 0.630207 O\n0.065851 0.340260 0.760865 O\n0.934149 0.840260 0.739137 O\n0.934149 0.659740 0.239137 O\n0.065851 0.159740 0.260864 O\n0.937420 0.501343 0.747099 O\n0.062580 0.001343 0.752903 O\n0.062580 0.498657 0.252903 O\n0.553367 0.808637 0.384118 O\n0.945757 0.216391 0.554963 O\n0.054243 0.716391 0.945038 O\n0.054243 0.783609 0.445038 O\n0.945757 0.283609 0.054963 O\n0.185580 0.162211 0.585952 O\n0.814420 0.662211 0.914050 O\n0.814420 0.837789 0.414050 O\n0.185580 0.337789 0.085951 O\n0.314415 0.002166 0.540323 O\n0.685584 0.502165 0.959679 O\n0.685584 0.997834 0.459678 O\n0.314416 0.497834 0.040322 O\n0.304558 0.210236 0.869794 O\n0.695442 0.789764 0.130207 O\n0.446633 0.308637 0.115882 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.1576790110005772,
"density_atomic": 0.09471179269038539,
"volume": 844.6677834672762,
"volume_molar": 6.358385359346423,
"formula_full": "Mg16 Si16 O48",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4200916300000002,
"spacegroup": 14
}
]
}