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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_anonymous&page=36",
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"results": [
{
"id": "oqmd-1557696",
"created_at": "2022-09-04T15:55:37.871019Z",
"updated_at": "2022-09-04T15:55:37.871044Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.556201 -1.935614 0.000000\n7.556201 1.935614 0.000000\n-1.481505 0.000000 9.559146\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.050045 0.050045 0.255306 Dy\n0.949955 0.949955 0.744694 Dy\n0.389616 0.389616 0.052523 Er\n0.610384 0.610384 0.947477 Er\n0.800950 0.800950 0.319114 Gd\n0.199050 0.199050 0.680886 Gd\n0.903473 0.903473 0.182703 N\n0.096527 0.096527 0.817297 N\n0.539441 0.539441 0.135706 O\n0.460559 0.460559 0.864294 O\n0.214365 0.214365 0.145813 S\n0.785635 0.785635 0.854187 S\n0.628117 0.628117 0.471979 Se\n0.371883 0.371883 0.528021 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Er",
"Gd",
"N",
"O",
"S",
"Se"
],
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"density": 7.459249265494441,
"density_atomic": 0.05006759017358991,
"volume": 279.622006001496,
"volume_molar": 12.028021998104098,
"formula_full": "Gd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.480061545628897,
"spacegroup": 12
},
{
"id": "oqmd-1557738",
"created_at": "2022-09-04T15:55:38.175005Z",
"updated_at": "2022-09-04T15:55:38.175019Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.706814 -1.911863 0.000000\n7.706814 1.911863 0.000000\n-1.556692 0.000000 9.421802\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.948135 0.948135 0.235070 Er\n0.051865 0.051865 0.764930 Er\n0.191644 0.191644 0.164067 Ho\n0.808356 0.808356 0.835933 Ho\n0.092266 0.092266 0.298316 N\n0.907734 0.907734 0.701684 N\n0.460242 0.460242 0.358674 O\n0.539758 0.539758 0.641326 O\n0.366087 0.366087 0.032864 S\n0.633913 0.633913 0.967136 S\n0.784776 0.784776 0.347468 Se\n0.215224 0.215224 0.652532 Se\n0.607517 0.607517 0.440317 Tb\n0.392483 0.392483 0.559683 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Er",
"Ho",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Er-Ho-N-O-S-Se-Tb",
"density": 7.56137390768283,
"density_atomic": 0.05042343416891864,
"volume": 277.64868122825516,
"volume_molar": 11.94313885846373,
"formula_full": "Tb2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.372669718319373,
"spacegroup": 12
},
{
"id": "oqmd-1558417",
"created_at": "2022-09-04T15:55:42.043272Z",
"updated_at": "2022-09-04T15:55:42.043299Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.766510 -1.934223 0.000000\n7.766510 1.934223 0.000000\n-1.401411 0.000000 9.483883\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.194504 0.194504 0.166818 Dy\n0.805496 0.805496 0.833182 Dy\n0.950722 0.950722 0.231695 Gd\n0.049278 0.049278 0.768305 Gd\n0.095488 0.095488 0.303269 N\n0.904512 0.904512 0.696731 N\n0.462206 0.462206 0.359006 O\n0.537794 0.537794 0.640994 O\n0.366393 0.366393 0.026714 S\n0.633607 0.633607 0.973286 S\n0.785715 0.785715 0.348341 Se\n0.214285 0.214285 0.651659 Se\n0.607755 0.607755 0.441828 Tb\n0.392245 0.392245 0.558172 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Gd",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Gd-N-O-S-Se-Tb",
"density": 7.2229810803687435,
"density_atomic": 0.049133692495020094,
"volume": 284.9368587842031,
"volume_molar": 12.256641937933669,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3606019077241363,
"spacegroup": 12
},
{
"id": "oqmd-1558467",
"created_at": "2022-09-04T15:55:42.155645Z",
"updated_at": "2022-09-04T15:55:42.155678Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.613890 -1.949891 0.000000\n7.613890 1.949891 0.000000\n-1.305880 0.000000 9.560852\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.202593 0.202593 0.181624 Dy\n0.797407 0.797407 0.818376 Dy\n0.954239 0.954239 0.237880 Gd\n0.045761 0.045761 0.762120 Gd\n0.099995 0.099995 0.315599 N\n0.900005 0.900005 0.684401 N\n0.463218 0.463218 0.360538 O\n0.536782 0.536782 0.639462 O\n0.787322 0.787322 0.348408 S\n0.212678 0.212678 0.651592 S\n0.370403 0.370403 0.021038 Se\n0.629597 0.629597 0.978962 Se\n0.612198 0.612198 0.448621 Tb\n0.387802 0.387802 0.551379 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Gd",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Gd-N-O-S-Se-Tb",
"density": 7.249725876040528,
"density_atomic": 0.04931562161151067,
"volume": 283.8857048236473,
"volume_molar": 12.211426244284395,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3822478348669938,
"spacegroup": 12
},
{
"id": "oqmd-1558121",
"created_at": "2022-09-04T15:55:39.396650Z",
"updated_at": "2022-09-04T15:55:39.396666Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.641112 -1.961051 0.000000\n7.641112 1.961051 0.000000\n-1.473355 0.000000 9.706875\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.609834 0.609834 0.449126 Ho\n0.390166 0.390166 0.550874 Ho\n0.096637 0.096637 0.321537 N\n0.903363 0.903363 0.678463 N\n0.199822 0.199822 0.180176 Nd\n0.800178 0.800178 0.819824 Nd\n0.462181 0.462181 0.365123 O\n0.537819 0.537819 0.634877 O\n0.787726 0.787726 0.356242 S\n0.212274 0.212274 0.643758 S\n0.375463 0.375463 0.031153 Se\n0.624537 0.624537 0.968847 Se\n0.951558 0.951558 0.247543 Tb\n0.048442 0.048442 0.752457 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Ho",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.953978106407343,
"density_atomic": 0.04812526669730402,
"volume": 290.9074787690326,
"volume_molar": 12.513469894884471,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.345437426890802,
"spacegroup": 12
},
{
"id": "oqmd-1558139",
"created_at": "2022-09-04T15:55:41.792349Z",
"updated_at": "2022-09-04T15:55:41.792373Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.672744 -1.958492 0.000000\n7.672744 1.958492 0.000000\n-1.457332 0.000000 9.673526\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.799897 0.799897 0.323853 Ho\n0.200103 0.200103 0.676147 Ho\n0.900818 0.900818 0.193832 N\n0.099182 0.099182 0.806168 N\n0.385126 0.385126 0.051772 Nd\n0.614874 0.614874 0.948228 Nd\n0.537648 0.537648 0.144468 O\n0.462352 0.462352 0.855532 O\n0.213195 0.213195 0.161276 S\n0.786805 0.786805 0.838724 S\n0.630949 0.630949 0.476120 Se\n0.369051 0.369051 0.523880 Se\n0.046507 0.046507 0.263300 Tb\n0.953493 0.953493 0.736700 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Ho",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.958263908361507,
"density_atomic": 0.048154926750715164,
"volume": 290.7283001898052,
"volume_molar": 12.50576247613244,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.345229732605088,
"spacegroup": 12
},
{
"id": "oqmd-1558088",
"created_at": "2022-09-04T15:55:41.942615Z",
"updated_at": "2022-09-04T15:55:41.942638Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.790878 -1.953766 0.000000\n7.790878 1.953766 0.000000\n-1.158142 0.000000 9.476064\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.607398 0.607398 0.443409 Dy\n0.392602 0.392602 0.556591 Dy\n0.197570 0.197570 0.171405 Ho\n0.802430 0.802430 0.828595 Ho\n0.099076 0.099076 0.309707 N\n0.900924 0.900924 0.690293 N\n0.953519 0.953519 0.225159 Nd\n0.046481 0.046481 0.774841 Nd\n0.464227 0.464227 0.360358 O\n0.535773 0.535773 0.639642 O\n0.365417 0.365417 0.016791 S\n0.634583 0.634583 0.983209 S\n0.786223 0.786223 0.347612 Se\n0.213777 0.213777 0.652388 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Ho",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Ho-N-Nd-O-S-Se",
"density": 7.053626598710088,
"density_atomic": 0.04853009076139015,
"volume": 288.4808122209036,
"volume_molar": 12.409086126810069,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4268237314622305,
"spacegroup": 12
},
{
"id": "oqmd-19206",
"created_at": "2022-09-04T14:49:13.127031Z",
"updated_at": "2022-09-04T14:49:13.127062Z",
"structure_string": "Li4 Be4 H32 C4 N4 O4 F16\n1.0\n11.871101 0.000000 0.057048\n0.000000 4.623889 0.000000\n-1.692864 0.000000 9.482126\nBe C F H Li N O\n4 4 16 32 4 4 4\ndirect\n0.631840 0.163267 0.117279 Be\n0.368160 0.663269 0.382722 Be\n0.631839 0.336732 0.617279 Be\n0.368160 0.836733 0.882722 Be\n0.141792 0.243905 0.010234 C\n0.858207 0.743904 0.489766 C\n0.141792 0.256096 0.510235 C\n0.858208 0.756095 0.989767 C\n0.360122 0.718756 0.027779 F\n0.626869 0.827360 0.113519 F\n0.520567 0.272401 0.168132 F\n0.737205 0.247022 0.230081 F\n0.262795 0.747021 0.269919 F\n0.479433 0.772402 0.331868 F\n0.373132 0.327359 0.386482 F\n0.639878 0.218755 0.472221 F\n0.360121 0.781245 0.527779 F\n0.626869 0.672642 0.613518 F\n0.520567 0.227601 0.668133 F\n0.737204 0.252980 0.730080 F\n0.262796 0.752979 0.769919 F\n0.479432 0.727600 0.831867 F\n0.373131 0.172640 0.886482 F\n0.639878 0.281244 0.972220 F\n0.318079 0.236987 0.045428 H\n0.860804 0.562070 0.054728 H\n0.867457 0.948487 0.056258 H\n0.072318 0.251187 0.071518 H\n0.262709 0.048118 0.167260 H\n0.263853 0.413414 0.170315 H\n0.872955 0.235378 0.245572 H\n0.010584 0.920381 0.246582 H\n0.989416 0.420380 0.253417 H\n0.127045 0.735377 0.254428 H\n0.736148 0.913413 0.329685 H\n0.737291 0.548119 0.332739 H\n0.927682 0.751188 0.428482 H\n0.132543 0.448488 0.443742 H\n0.139197 0.062069 0.445272 H\n0.681921 0.736988 0.454572 H\n0.318078 0.263012 0.545428 H\n0.860804 0.937929 0.554728 H\n0.867456 0.551512 0.556258 H\n0.072317 0.248812 0.571518 H\n0.262709 0.451879 0.667261 H\n0.263852 0.086587 0.670315 H\n0.872954 0.264624 0.745571 H\n0.010583 0.579620 0.746582 H\n0.989417 0.079619 0.753418 H\n0.127045 0.764625 0.754429 H\n0.736147 0.586586 0.829685 H\n0.737292 0.951883 0.832739 H\n0.927683 0.748813 0.928481 H\n0.132543 0.051511 0.943742 H\n0.139196 0.437930 0.945272 H\n0.681922 0.763014 0.954572 H\n0.493940 0.667205 0.149351 Li\n0.506059 0.167206 0.350649 Li\n0.493940 0.832795 0.649350 Li\n0.506060 0.332796 0.850650 Li\n0.253413 0.234063 0.105597 N\n0.746587 0.734064 0.394403 N\n0.253414 0.265934 0.605597 N\n0.746587 0.765935 0.894404 N\n0.043052 0.720340 0.237181 O\n0.956948 0.220341 0.262819 O\n0.043052 0.779660 0.737181 O\n0.956948 0.279661 0.762818 O\n",
"nsites": 68,
"nelements": 7,
"elements": [
"Be",
"C",
"F",
"H",
"Li",
"N",
"O"
],
"chemical_system": "Be-C-F-H-Li-N-O",
"density": 1.8109388472116246,
"density_atomic": 0.13053661429465194,
"volume": 520.9266409078755,
"volume_molar": 4.613372878207647,
"formula_full": "Li4 Be4 H32 C4 N4 O4 F16",
"formula_reduced": "LiBeH8CNOF4",
"formula_anonymous": "ABCDEF4G8",
"formation_energy": -1.56757851604236,
"spacegroup": 14
},
{
"id": "oqmd-16604",
"created_at": "2022-09-04T15:18:04.766724Z",
"updated_at": "2022-09-04T15:18:04.766744Z",
"structure_string": "Na4 Sn4 P4 H4 O16 F4\n1.0\n4.716518 0.000000 0.000000\n0.000000 5.150910 0.000000\n0.000000 0.000000 18.294205\nF H Na O P Sn\n4 4 4 16 4 4\ndirect\n0.337987 0.249999 0.034713 F\n0.837989 0.249999 0.465286 F\n0.162011 0.749999 0.534714 F\n0.662012 0.749999 0.965286 F\n0.692676 0.749999 0.249231 H\n0.192676 0.749999 0.250770 H\n0.807322 0.249999 0.749230 H\n0.307324 0.249999 0.750769 H\n0.221227 0.749999 0.008564 Na\n0.721227 0.749999 0.491437 Na\n0.278773 0.249999 0.508564 Na\n0.778772 0.249999 0.991436 Na\n0.899138 0.506066 0.097134 O\n0.899138 0.993935 0.097134 O\n0.443539 0.749999 0.127644 O\n0.861634 0.749999 0.215973 O\n0.361633 0.749999 0.284027 O\n0.943539 0.749999 0.372356 O\n0.399138 0.506066 0.402865 O\n0.399138 0.993935 0.402865 O\n0.600863 0.006065 0.597134 O\n0.600863 0.493934 0.597134 O\n0.056461 0.249999 0.627644 O\n0.638365 0.249999 0.715973 O\n0.138365 0.249999 0.784027 O\n0.556459 0.249999 0.872355 O\n0.100860 0.006065 0.902866 O\n0.100860 0.493934 0.902866 O\n0.765105 0.749999 0.130768 P\n0.265104 0.749999 0.369232 P\n0.734894 0.249999 0.630768 P\n0.234894 0.249999 0.869232 P\n0.226964 0.249999 0.144257 Sn\n0.726964 0.249999 0.355743 Sn\n0.273038 0.749999 0.644257 Sn\n0.773036 0.749999 0.855744 Sn\n",
"nsites": 36,
"nelements": 6,
"elements": [
"F",
"H",
"Na",
"O",
"P",
"Sn"
],
"chemical_system": "F-H-Na-O-P-Sn",
"density": 3.8359933626015614,
"density_atomic": 0.08099971699860223,
"volume": 444.44599726961064,
"volume_molar": 7.4347676549338075,
"formula_full": "Na4 Sn4 P4 H4 O16 F4",
"formula_reduced": "NaSnPHO4F",
"formula_anonymous": "ABCDEF4",
"formation_energy": -2.24380207711034,
"spacegroup": 62
},
{
"id": "oqmd-114156",
"created_at": "2022-09-04T15:33:16.186288Z",
"updated_at": "2022-09-04T15:33:16.186316Z",
"structure_string": "Zn4 P4 H20 C4 N4 Cl4 O12\n1.0\n4.697225 0.000000 -0.001953\n0.000000 15.483528 0.000000\n-2.375263 0.000000 7.712458\nC Cl H N O P Zn\n4 4 20 4 12 4 4\ndirect\n0.906366 0.074108 0.185623 C\n0.093633 0.574108 0.314376 C\n0.906366 0.425892 0.685623 C\n0.093634 0.925892 0.814376 C\n0.443615 0.416561 0.119570 Cl\n0.556387 0.916561 0.380431 Cl\n0.443613 0.083439 0.619570 Cl\n0.556387 0.583439 0.880431 Cl\n0.051207 0.636581 0.078013 H\n0.729840 0.039142 0.090007 H\n0.289866 0.553074 0.119601 H\n0.394378 0.648513 0.217914 H\n0.086192 0.027974 0.242383 H\n0.913808 0.527974 0.257618 H\n0.605624 0.148513 0.282087 H\n0.710134 0.053074 0.380400 H\n0.270160 0.539142 0.409994 H\n0.948793 0.136581 0.421987 H\n0.051205 0.863419 0.578013 H\n0.729840 0.460858 0.590007 H\n0.289866 0.946926 0.619601 H\n0.394376 0.851487 0.717914 H\n0.086192 0.472026 0.742382 H\n0.913808 0.972026 0.757618 H\n0.605623 0.351487 0.782086 H\n0.710134 0.446927 0.880399 H\n0.270160 0.960858 0.909994 H\n0.948794 0.363419 0.921988 H\n0.213565 0.605662 0.174707 N\n0.786434 0.105662 0.325294 N\n0.213566 0.894338 0.674707 N\n0.786435 0.394338 0.825294 N\n0.208253 0.778722 0.011607 O\n0.793605 0.883523 0.034063 O\n0.273417 0.208527 0.235645 O\n0.726582 0.708527 0.264354 O\n0.206394 0.383523 0.465936 O\n0.791746 0.278723 0.488392 O\n0.208253 0.721277 0.511607 O\n0.793605 0.616477 0.534063 O\n0.273417 0.291473 0.735645 O\n0.726583 0.791473 0.764354 O\n0.206395 0.116477 0.965936 O\n0.791747 0.221277 0.988393 O\n0.049214 0.162038 0.083287 P\n0.950788 0.662038 0.416714 P\n0.049214 0.337962 0.583287 P\n0.950786 0.837962 0.916714 P\n0.583003 0.822342 0.175516 Zn\n0.416999 0.322342 0.324485 Zn\n0.583001 0.677658 0.675516 Zn\n0.416999 0.177658 0.824485 Zn\n",
"nsites": 52,
"nelements": 7,
"elements": [
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"Cl",
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"O",
"P",
"Zn"
],
"chemical_system": "C-Cl-H-N-O-P-Zn",
"density": 2.4975763777549966,
"density_atomic": 0.09271603679513016,
"volume": 560.8522732146297,
"volume_molar": 6.495252567047072,
"formula_full": "Zn4 P4 H20 C4 N4 Cl4 O12",
"formula_reduced": "ZnPH5CNClO3",
"formula_anonymous": "ABCDEF3G5",
"formation_energy": -1.15144532584459,
"spacegroup": 14
},
{
"id": "oqmd-1557373",
"created_at": "2022-09-04T15:55:47.739503Z",
"updated_at": "2022-09-04T15:55:47.739516Z",
"structure_string": "Nd2 Y2 Ho2 S4 N2 O2\n1.0\n7.598488 -1.934065 0.000000\n7.598488 1.934065 0.000000\n-1.708052 0.000000 9.549322\nHo N Nd O S Y\n2 2 2 2 4 2\ndirect\n0.390508 0.390508 0.053358 Ho\n0.609492 0.609492 0.946642 Ho\n0.906805 0.906805 0.186796 N\n0.093195 0.093195 0.813204 N\n0.805372 0.805372 0.329406 Nd\n0.194628 0.194628 0.670594 Nd\n0.540777 0.540777 0.135477 O\n0.459223 0.459223 0.864523 O\n0.214997 0.214997 0.145283 S\n0.629262 0.629262 0.462901 S\n0.370738 0.370738 0.537099 S\n0.785003 0.785003 0.854717 S\n0.054244 0.054244 0.256470 Y\n0.945756 0.945756 0.743530 Y\n",
"nsites": 14,
"nelements": 6,
"elements": [
"Ho",
"N",
"Nd",
"O",
"S",
"Y"
],
"chemical_system": "Ho-N-Nd-O-S-Y",
"density": 5.824149472454493,
"density_atomic": 0.04988009299235683,
"volume": 280.67309341514726,
"volume_molar": 12.0732348292189,
"formula_full": "Nd2 Y2 Ho2 S4 N2 O2",
"formula_reduced": "NdYHoS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.513812327511758,
"spacegroup": 12
},
{
"id": "oqmd-1557381",
"created_at": "2022-09-04T15:55:47.800636Z",
"updated_at": "2022-09-04T15:55:47.800660Z",
"structure_string": "Tb2 Dy2 Y2 S4 N2 O2\n1.0\n7.560338 -1.913199 0.000000\n7.560338 1.913199 0.000000\n-1.520652 0.000000 9.386855\nDy N O S Tb Y\n2 2 2 4 2 2\ndirect\n0.611189 0.611189 0.444126 Dy\n0.388811 0.388811 0.555874 Dy\n0.096131 0.096131 0.305611 N\n0.903869 0.903869 0.694389 N\n0.460567 0.460567 0.361302 O\n0.539433 0.539433 0.638698 O\n0.364714 0.364714 0.028968 S\n0.785336 0.785336 0.348538 S\n0.214664 0.214664 0.651462 S\n0.635286 0.635286 0.971032 S\n0.948089 0.948089 0.235153 Tb\n0.051911 0.051911 0.764847 Tb\n0.198724 0.198724 0.171255 Y\n0.801276 0.801276 0.828745 Y\n",
"nsites": 14,
"nelements": 6,
"elements": [
"Dy",
"N",
"O",
"S",
"Tb",
"Y"
],
"chemical_system": "Dy-N-O-S-Tb-Y",
"density": 6.169651756680746,
"density_atomic": 0.05155568642848955,
"volume": 271.5510348100735,
"volume_molar": 11.680846822499447,
"formula_full": "Tb2 Dy2 Y2 S4 N2 O2",
"formula_reduced": "TbDyYS2NO",
"formula_anonymous": "ABCDEF2",
"formation_energy": -2.4682532179403305,
"spacegroup": 12
}
]
}