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=4367",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4365",
"results": [
{
"id": "jvasp-11375",
"created_at": "2022-09-04T14:36:53.675955Z",
"updated_at": "2022-09-04T14:36:53.675967Z",
"structure_string": "K4 Nb2 Ag2 S8\n1.0\n5.723374 0.000000 1.494472\n2.861686 6.558092 0.747236\n0.022888 -0.000000 11.618976\nK Nb Ag S\n4 2 2 8\ndirect\n0.193586 0.250000 0.612828 K\n0.806414 0.750000 0.387172 K\n0.556414 0.250000 0.887172 K\n0.443586 0.750000 0.112828 K\n0.375000 0.250000 0.250000 Nb\n0.625000 0.750000 0.750000 Nb\n0.875000 0.250000 0.250000 Ag\n0.125001 0.750000 0.750000 Ag\n0.886673 0.538501 0.869333 S\n0.794507 0.961499 0.630668 S\n0.574826 0.538501 0.630668 S\n0.243995 0.961499 0.869333 S\n0.113327 0.461499 0.130667 S\n0.756006 0.038501 0.130667 S\n0.425174 0.461499 0.369333 S\n0.205493 0.038501 0.369333 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"Nb",
"Ag",
"S"
],
"chemical_system": "Ag-K-Nb-S",
"density": 3.102744937018309,
"density_atomic": 0.03670675071502882,
"volume": 435.88712398477514,
"volume_molar": 16.4060851006743,
"formula_full": "K4 Nb2 Ag2 S8",
"formula_reduced": "K2NbAgS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.4577153324999998,
"spacegroup": 70
},
{
"id": "jvasp-103192",
"created_at": "2022-09-04T14:37:15.910135Z",
"updated_at": "2022-09-04T14:37:15.910162Z",
"structure_string": "Na3 Tl1 I6\n1.0\n7.370742 0.000000 4.255500\n2.456914 6.949203 4.255500\n0.000000 0.000000 8.511000\nNa Tl I\n3 1 6\ndirect\n0.749999 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.751937 0.248062 0.248063 I\n0.248062 0.248062 0.751938 I\n0.248062 0.751937 0.751938 I\n0.248062 0.751937 0.248063 I\n0.751937 0.248062 0.751938 I\n0.751937 0.751937 0.248063 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Tl",
"I"
],
"chemical_system": "I-Na-Tl",
"density": 3.941577632719215,
"density_atomic": 0.022938932385284945,
"volume": 435.94007916492586,
"volume_molar": 26.25292519656727,
"formula_full": "Na3 Tl1 I6",
"formula_reduced": "Na3TlI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-29310",
"created_at": "2022-09-04T14:38:01.799865Z",
"updated_at": "2022-09-04T14:38:01.799891Z",
"structure_string": "Ce2 P6 H16 O14\n1.0\n7.074609 0.022088 -0.989754\n-2.449452 6.984078 -2.724684\n0.012596 0.081718 8.776429\nCe P H O\n2 6 16 14\ndirect\n0.346347 0.185831 0.128651 Ce\n0.653654 0.814170 0.871350 Ce\n0.850618 0.189939 0.274139 P\n0.149383 0.810062 0.725862 P\n0.033168 0.787061 0.205811 P\n0.966834 0.212940 0.794190 P\n0.466009 0.309818 0.591820 P\n0.533992 0.690183 0.408182 P\n0.848115 0.146159 0.418045 H\n0.151886 0.853842 0.581957 H\n0.047643 0.621988 0.231585 H\n0.952358 0.378013 0.768417 H\n0.044728 0.917264 0.367893 H\n0.955273 0.082737 0.632109 H\n0.727344 0.669443 0.414317 H\n0.553025 0.856288 0.372965 H\n0.272658 0.330558 0.585684 H\n0.135582 0.615281 0.668385 H\n0.685014 0.287880 0.967498 H\n0.314987 0.712121 0.032504 H\n0.446976 0.143713 0.627037 H\n0.864419 0.384720 0.331616 H\n0.327960 0.500820 0.949382 H\n0.672041 0.499181 0.050620 H\n0.627326 0.368827 0.049478 O\n0.495134 0.729792 0.581206 O\n0.381798 0.521832 0.263419 O\n0.618203 0.478169 0.736583 O\n0.172368 0.262742 0.906072 O\n0.827633 0.737259 0.093929 O\n0.782692 0.133514 0.849900 O\n0.217310 0.866487 0.150101 O\n0.347655 0.931937 0.855406 O\n0.652346 0.068064 0.144596 O\n0.964877 0.835826 0.785490 O\n0.035124 0.164175 0.214512 O\n0.372676 0.631174 0.950524 O\n0.504868 0.270209 0.418796 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ce",
"P",
"H",
"O"
],
"chemical_system": "Ce-H-O-P",
"density": 2.689747753648991,
"density_atomic": 0.08716106213503187,
"volume": 435.97449444947733,
"volume_molar": 6.909209929854188,
"formula_full": "Ce2 P6 H16 O14",
"formula_reduced": "CeP3H8O7",
"formula_anonymous": "AB3C7D8",
"energy_above_hull": 3.147821921052632,
"spacegroup": 2
},
{
"id": "jvasp-13355",
"created_at": "2022-09-04T14:36:57.502609Z",
"updated_at": "2022-09-04T14:36:57.502628Z",
"structure_string": "Ca2 Nd4 Te8\n1.0\n8.273805 0.047128 -0.000000\n-2.713503 7.816328 -0.000000\n-2.780151 -3.931728 6.728325\nCa Nd Te\n2 4 8\ndirect\n0.625001 0.375000 0.250000 Ca\n0.875001 0.125000 0.750001 Ca\n0.125446 0.750000 0.875446 Nd\n0.250001 0.625446 0.375446 Nd\n0.374555 0.250000 0.624555 Nd\n0.750001 0.874555 0.124555 Nd\n0.002320 0.857057 0.503049 Te\n-0.000728 0.354009 0.496952 Te\n0.497681 0.000729 0.854738 Te\n0.142943 0.145991 0.145262 Te\n0.357058 0.502320 0.003048 Te\n0.645992 0.642943 0.645263 Te\n0.500730 0.997681 0.354738 Te\n0.854010 0.499272 0.996952 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Nd",
"Te"
],
"chemical_system": "Ca-Nd-Te",
"density": 6.390699934758754,
"density_atomic": 0.03211109228157879,
"volume": 435.98641482623736,
"volume_molar": 18.75408256808109,
"formula_full": "Ca2 Nd4 Te8",
"formula_reduced": "Ca(NdTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8350420695238094,
"spacegroup": 122
},
{
"id": "jvasp-31060",
"created_at": "2022-09-04T14:38:34.333991Z",
"updated_at": "2022-09-04T14:38:34.334011Z",
"structure_string": "Er10 Sn6\n1.0\n4.416057 -7.648835 -0.000000\n4.416057 7.648835 0.000000\n0.000000 0.000000 6.455076\nEr Sn\n10 6\ndirect\n0.000001 0.762639 0.750000 Er\n0.000000 0.237361 0.250000 Er\n0.762640 0.762640 0.250000 Er\n0.762639 0.000001 0.750000 Er\n0.237361 0.237361 0.750000 Er\n0.237361 0.000000 0.250000 Er\n0.333333 0.666667 0.500000 Er\n0.666667 0.333333 0.000000 Er\n0.666667 0.333333 0.500000 Er\n0.333333 0.666667 0.000000 Er\n0.394641 0.000000 0.750000 Sn\n0.394641 0.394641 0.250000 Sn\n0.000000 0.605359 0.250000 Sn\n0.000000 0.394641 0.750000 Sn\n0.605360 0.605360 0.750000 Sn\n0.605359 0.000000 0.250000 Sn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Er",
"Sn"
],
"chemical_system": "Er-Sn",
"density": 9.081317244419038,
"density_atomic": 0.03669092529996008,
"volume": 436.0751294548957,
"volume_molar": 16.413161321953776,
"formula_full": "Er10 Sn6",
"formula_reduced": "Er5Sn3",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.0860693874999998,
"spacegroup": 193
},
{
"id": "jvasp-11461",
"created_at": "2022-09-04T14:37:28.951981Z",
"updated_at": "2022-09-04T14:37:28.952001Z",
"structure_string": "Rb4 Cu4 Sn2 S8\n1.0\n5.253833 0.000000 1.628506\n2.168148 8.831089 2.294316\n-0.027559 -0.067331 9.378038\nRb Cu Sn S\n4 4 2 8\ndirect\n0.228506 0.376104 0.623896 Rb\n0.728505 0.123896 0.876105 Rb\n0.271494 0.876104 0.123896 Rb\n0.771494 0.623896 0.376105 Rb\n0.250000 0.031457 0.468543 Cu\n0.750000 0.531457 0.968544 Cu\n0.750000 0.968543 0.531458 Cu\n0.250000 0.468543 0.031457 Cu\n0.750000 0.250000 0.250001 Sn\n0.250000 0.750000 0.750001 Sn\n0.415061 0.485655 0.223583 S\n0.624298 0.014345 0.276418 S\n0.875701 0.223582 0.485656 S\n0.084939 0.276418 0.014345 S\n0.375701 0.985655 0.723583 S\n0.584939 0.514345 0.776418 S\n0.124299 0.776418 0.514345 S\n0.915061 0.723583 0.985656 S\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Cu",
"Sn",
"S"
],
"chemical_system": "Cu-Rb-S-Sn",
"density": 4.150532935091066,
"density_atomic": 0.04127648308083358,
"volume": 436.08366451060755,
"volume_molar": 14.589762282330529,
"formula_full": "Rb4 Cu4 Sn2 S8",
"formula_reduced": "Rb2Cu2SnS4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 0.6086247333333336,
"spacegroup": 72
},
{
"id": "jvasp-25573",
"created_at": "2022-09-04T14:37:45.995806Z",
"updated_at": "2022-09-04T14:37:45.995834Z",
"structure_string": "K6 Np2 H12 O16\n1.0\n0.000000 7.583018 -0.019755\n8.264212 0.000000 0.000000\n0.000000 -3.575172 -6.949843\nK Np H O\n6 2 12 16\ndirect\n0.000000 0.000000 0.500000 K\n0.584909 0.192279 0.540973 K\n0.415091 0.807720 0.459027 K\n0.415091 0.692279 0.959027 K\n0.000000 0.500000 0.000000 K\n0.584909 0.307720 0.040973 K\n0.000000 0.500000 0.500000 Np\n0.000000 0.000000 0.000000 Np\n0.573880 0.523593 0.369776 H\n0.426121 0.023593 0.130224 H\n0.647064 0.966912 0.175620 H\n0.174758 0.291734 0.825391 H\n0.647064 0.533087 0.675620 H\n0.426121 0.476406 0.630224 H\n0.352937 0.466912 0.324380 H\n0.825243 0.791734 0.674609 H\n0.825243 0.708266 0.174610 H\n0.352937 0.033087 0.824380 H\n0.174758 0.208266 0.325391 H\n0.573880 0.976406 0.869776 H\n0.138158 0.801416 0.076195 O\n0.442383 0.492177 0.264176 O\n0.861843 0.301417 0.423805 O\n0.807103 0.906019 0.702977 O\n0.798986 0.921737 0.083618 O\n0.861843 0.198583 0.923805 O\n0.201015 0.078262 0.916382 O\n0.192897 0.093980 0.297023 O\n0.798986 0.578262 0.583618 O\n0.138158 0.698583 0.576195 O\n0.201015 0.421738 0.416382 O\n0.192897 0.406020 0.797023 O\n0.807103 0.593980 0.202978 O\n0.442383 0.007823 0.764176 O\n0.557617 0.507823 0.735824 O\n0.557617 0.992176 0.235824 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"Np",
"H",
"O"
],
"chemical_system": "H-K-Np-O",
"density": 3.718769129857121,
"density_atomic": 0.08254719795162,
"volume": 436.1141370431399,
"volume_molar": 7.295390890832551,
"formula_full": "K6 Np2 H12 O16",
"formula_reduced": "K3Np(H3O4)2",
"formula_anonymous": "AB3C6D8",
"energy_above_hull": 2.625189555555556,
"spacegroup": 14
},
{
"id": "jvasp-101982",
"created_at": "2022-09-04T14:37:05.482751Z",
"updated_at": "2022-09-04T14:37:05.482772Z",
"structure_string": "H40 C20\n1.0\n8.553841 0.000000 -3.731294\n0.000000 5.200534 0.000000\n-0.028544 0.000000 9.817612\nH C\n40 20\ndirect\n0.480242 0.120644 0.176019 H\n0.919910 0.698751 0.308897 H\n0.080090 0.301249 0.691104 H\n0.031357 0.774126 0.067384 H\n0.968643 0.225874 0.932616 H\n0.968643 0.274126 0.432616 H\n0.031358 0.725873 0.567384 H\n0.199850 0.644290 0.210828 H\n0.800150 0.144290 0.289172 H\n0.199850 0.855709 0.710828 H\n0.185930 0.965683 0.949509 H\n0.814071 0.034317 0.050492 H\n0.814071 0.465683 0.550492 H\n0.185929 0.534316 0.449509 H\n0.332491 0.747971 0.058226 H\n0.667510 0.252029 0.941774 H\n0.667509 0.247971 0.441774 H\n0.332491 0.752028 0.558226 H\n0.919911 0.801248 0.808897 H\n0.080090 0.198751 0.191104 H\n0.800151 0.355709 0.789172 H\n0.870756 0.484077 0.155865 H\n0.129244 0.515922 0.844135 H\n0.519758 0.879355 0.823981 H\n0.519758 0.620644 0.323981 H\n0.480243 0.379355 0.676019 H\n0.311899 0.317293 0.097457 H\n0.688102 0.682707 0.902543 H\n0.311899 0.182707 0.597457 H\n0.353272 0.321957 0.358797 H\n0.646728 0.678042 0.641203 H\n0.688102 0.817292 0.402543 H\n0.870757 0.015922 0.655865 H\n0.353272 0.178043 0.858797 H\n0.409234 0.992998 0.381332 H\n0.590766 0.007001 0.618668 H\n0.590766 0.492999 0.118668 H\n0.409235 0.507001 0.881332 H\n0.129244 0.984077 0.344135 H\n0.646728 0.821956 0.141203 H\n0.160618 0.457743 0.751826 C\n0.151844 0.819921 0.145179 C\n0.848156 0.180078 0.854822 C\n0.742867 0.093742 0.935193 C\n0.151844 0.680077 0.645178 C\n0.257133 0.906257 0.064808 C\n0.839382 0.542257 0.248175 C\n0.848156 0.319922 0.354822 C\n0.839382 0.957742 0.748175 C\n0.355961 0.134965 0.157119 C\n0.330456 0.366007 0.802416 C\n0.669544 0.633993 0.197584 C\n0.669544 0.866006 0.697584 C\n0.330456 0.133993 0.302416 C\n0.355961 0.365035 0.657119 C\n0.644039 0.634964 0.342882 C\n0.644039 0.865035 0.842882 C\n0.742867 0.406258 0.435193 C\n0.160618 0.042257 0.251826 C\n0.257133 0.593742 0.564807 C\n",
"nsites": 60,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.067989677257328,
"density_atomic": 0.13755849613148502,
"volume": 436.1780746908509,
"volume_molar": 4.377876270356829,
"formula_full": "H40 C20",
"formula_reduced": "H2C",
"formula_anonymous": "AB2",
"energy_above_hull": 3.26792,
"spacegroup": 14
},
{
"id": "jvasp-26022",
"created_at": "2022-09-04T14:38:16.152889Z",
"updated_at": "2022-09-04T14:38:16.152914Z",
"structure_string": "Ba6 Yb2 Ru4 O18\n1.0\n2.962140 -5.130577 0.000000\n2.962140 5.130577 -0.000000\n-0.000000 -0.000000 14.350835\nYb Ba Ru O\n2 6 4 18\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.908462 Ba\n0.666667 0.333333 0.408462 Ba\n0.666667 0.333333 0.091538 Ba\n0.333333 0.666667 0.591538 Ba\n0.333333 0.666667 0.336212 Ru\n0.666667 0.333333 0.836212 Ru\n0.666667 0.333333 0.663789 Ru\n0.333333 0.666667 0.163788 Ru\n0.642945 0.821472 0.089623 O\n0.357055 0.178528 0.589623 O\n0.821472 0.642945 0.910377 O\n0.821472 0.178528 0.589623 O\n0.821472 0.642945 0.589623 O\n0.178528 0.821472 0.410377 O\n0.642945 0.821472 0.410377 O\n0.357055 0.178528 0.910377 O\n0.984230 0.492115 0.750000 O\n0.178528 0.357055 0.410377 O\n0.507885 0.015770 0.750000 O\n0.492115 0.507885 0.250000 O\n0.015770 0.507885 0.250000 O\n0.178528 0.357055 0.089623 O\n0.507885 0.492115 0.750000 O\n0.492115 0.984230 0.250000 O\n0.821472 0.178528 0.910377 O\n0.178528 0.821472 0.089623 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Yb",
"Ba",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru-Yb",
"density": 7.089610813672774,
"density_atomic": 0.06877685255016981,
"volume": 436.1932668860685,
"volume_molar": 8.756057505840504,
"formula_full": "Ba6 Yb2 Ru4 O18",
"formula_reduced": "Ba3YbRu2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.256565407333333,
"spacegroup": 194
},
{
"id": "jvasp-22894",
"created_at": "2022-09-04T14:38:19.543485Z",
"updated_at": "2022-09-04T14:38:19.543495Z",
"structure_string": "Rb4 Si6 Sn2 O18\n1.0\n3.517550 -6.092576 -0.000000\n3.517550 6.092576 -0.000000\n-0.000000 0.000000 10.177131\nRb Si Sn O\n4 6 2 18\ndirect\n0.333333 0.666667 0.940538 Rb\n0.666667 0.333333 0.440538 Rb\n0.333333 0.666667 0.559462 Rb\n0.666667 0.333333 0.059462 Rb\n0.134370 0.751749 0.250000 Si\n0.248251 0.382622 0.250000 Si\n0.382622 0.134370 0.750000 Si\n0.865630 0.248251 0.750000 Si\n0.617378 0.865629 0.250000 Si\n0.751749 0.617378 0.750000 Si\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.227447 0.255296 0.386181 O\n0.912473 0.506710 0.750000 O\n0.087527 0.493289 0.250000 O\n0.405762 0.912473 0.250000 O\n0.493289 0.405763 0.750000 O\n0.255296 0.027849 0.886181 O\n0.027849 0.772553 0.386181 O\n0.772553 0.744704 0.886181 O\n0.227447 0.255296 0.113819 O\n0.744704 0.972151 0.386181 O\n0.744704 0.972151 0.113819 O\n0.972151 0.227446 0.613819 O\n0.772553 0.744704 0.613819 O\n0.594238 0.087527 0.750000 O\n0.027849 0.772553 0.113819 O\n0.255296 0.027849 0.613819 O\n0.972151 0.227446 0.886181 O\n0.506711 0.594237 0.250000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Rb",
"Si",
"Sn",
"O"
],
"chemical_system": "O-Rb-Si-Sn",
"density": 3.9429896913008946,
"density_atomic": 0.06877405941507868,
"volume": 436.2109820933809,
"volume_molar": 8.756413117413931,
"formula_full": "Rb4 Si6 Sn2 O18",
"formula_reduced": "Rb2Si3SnO9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.2809066,
"spacegroup": 176
},
{
"id": "jvasp-98243",
"created_at": "2022-09-04T14:36:09.642809Z",
"updated_at": "2022-09-04T14:36:09.642845Z",
"structure_string": "Li2 Er2 P8 O24\n1.0\n6.436966 0.000232 2.783262\n2.211763 7.685141 3.720853\n0.003065 0.023232 8.829024\nLi Er P O\n2 2 8 24\ndirect\n0.293220 0.750010 0.249991 Li\n0.706781 0.249990 0.750008 Li\n0.796432 0.750000 0.249995 Er\n0.203569 0.249999 0.750004 Er\n0.688478 0.884820 0.841234 P\n0.311523 0.115179 0.158765 P\n0.001560 0.694767 0.597359 P\n0.293689 0.805233 0.902634 P\n0.706312 0.194766 0.097365 P\n0.414546 0.615174 0.658763 P\n0.998441 0.305233 0.402639 P\n0.585455 0.384826 0.341236 P\n0.329877 0.644554 0.845237 O\n0.986511 0.279838 0.584719 O\n0.986661 0.524030 0.735866 O\n0.148917 0.779842 0.084715 O\n0.167796 0.184434 0.042617 O\n0.819650 0.855451 0.654754 O\n0.783002 0.262443 0.424000 O\n0.436080 0.925177 0.201218 O\n0.753438 0.024025 0.235869 O\n0.216999 0.737556 0.575999 O\n0.013490 0.720161 0.415280 O\n0.246563 0.975975 0.764129 O\n0.530558 0.762439 0.924009 O\n0.013340 0.475970 0.264133 O\n0.670124 0.355445 0.154762 O\n0.563921 0.074822 0.798780 O\n0.394839 0.315572 0.457398 O\n0.832205 0.815565 0.957382 O\n0.562466 0.574821 0.298772 O\n0.180351 0.144549 0.345245 O\n0.437535 0.425178 0.701227 O\n0.851084 0.220157 0.915284 O\n0.469443 0.237560 0.075990 O\n0.605162 0.684427 0.542601 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Er",
"P",
"O"
],
"chemical_system": "Er-Li-O-P",
"density": 3.730682683404029,
"density_atomic": 0.08251592735801043,
"volume": 436.2794087474461,
"volume_molar": 7.298155583796376,
"formula_full": "Li2 Er2 P8 O24",
"formula_reduced": "LiEr(PO3)4",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.8518846666666664,
"spacegroup": 15
},
{
"id": "jvasp-19105",
"created_at": "2022-09-04T14:37:05.454282Z",
"updated_at": "2022-09-04T14:37:05.454301Z",
"structure_string": "Na8 S8 O12\n1.0\n0.000000 6.389435 -0.028187\n8.096402 0.000000 0.000000\n0.000000 -1.041279 -8.429366\nNa S O\n8 8 12\ndirect\n0.876802 0.194544 0.452385 Na\n0.623197 0.694544 0.547617 Na\n0.296979 0.626054 0.083738 Na\n0.376802 0.305455 0.452384 Na\n0.796979 0.873946 0.083738 Na\n0.703020 0.373946 0.916263 Na\n0.203021 0.126054 0.916263 Na\n0.123197 0.805455 0.547616 Na\n0.700276 0.046727 0.733379 S\n0.528602 0.107393 0.209632 S\n0.471397 0.892606 0.790369 S\n0.971397 0.607393 0.790369 S\n0.299723 0.953272 0.266622 S\n0.200276 0.453272 0.733379 S\n0.799723 0.546727 0.266622 S\n0.028602 0.392607 0.209632 S\n0.163199 0.914255 0.116649 O\n0.663198 0.585744 0.116649 O\n0.820622 0.961802 0.617917 O\n0.320623 0.538198 0.617917 O\n0.179377 0.038198 0.382084 O\n0.389021 0.797224 0.336663 O\n0.679377 0.461802 0.382084 O\n0.110979 0.297224 0.663338 O\n0.610979 0.202776 0.663338 O\n0.836801 0.085744 0.883352 O\n0.336801 0.414256 0.883352 O\n0.889020 0.702776 0.336663 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"S",
"O"
],
"chemical_system": "Na-O-S",
"density": 2.4070004934811022,
"density_atomic": 0.06417590399250948,
"volume": 436.3008272274298,
"volume_molar": 9.383803554528651,
"formula_full": "Na8 S8 O12",
"formula_reduced": "Na2S2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.3468526428571428,
"spacegroup": 14
}
]
}