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{
"id": "oqmd-688371",
"created_at": "2022-09-04T15:52:20.688444Z",
"updated_at": "2022-09-04T15:52:20.688480Z",
"structure_string": "Ga1 Si6 Bi1 H54 C18 N4 Cl4\n1.0\n9.195195 0.000000 0.000000\n0.380884 9.641185 0.000000\n4.331141 3.604706 10.640459\nBi C Cl Ga H N Si\n1 18 4 1 54 4 6\ndirect\n0.355395 0.367161 0.123928 Bi\n0.650446 0.633663 0.004816 C\n0.738083 0.205155 0.153104 C\n0.537056 0.915357 0.231705 C\n0.083731 0.072507 0.262060 C\n0.469867 0.411157 0.391555 C\n0.570475 0.024395 0.431581 C\n0.132186 0.879160 0.501375 C\n0.116894 0.416989 0.504635 C\n0.922365 0.131843 0.510310 C\n0.414821 0.624954 0.633791 C\n0.260910 0.163257 0.635378 C\n0.593173 0.294151 0.697115 C\n0.659248 0.807208 0.740851 C\n0.849954 0.544179 0.777923 C\n0.254595 0.723543 0.860594 C\n0.748995 0.139910 0.878515 C\n0.192832 0.406685 0.879778 C\n0.404057 0.061692 0.948926 C\n0.952046 0.868791 0.069137 Cl\n0.953784 0.475578 0.200230 Cl\n0.238103 0.708786 0.200386 Cl\n0.834015 0.694391 0.403862 Cl\n0.991392 0.691329 0.217930 Ga\n0.381261 0.015414 0.049885 H\n0.542557 0.679902 0.050628 H\n0.721946 0.264978 0.064812 H\n0.660756 0.528464 0.071201 H\n0.839245 0.140366 0.130212 H\n0.538790 0.939556 0.135929 H\n0.766553 0.286502 0.190394 H\n0.182672 0.030800 0.201220 H\n0.064191 0.182583 0.207917 H\n0.635330 0.848815 0.238434 H\n0.979176 0.001271 0.285545 H\n0.428153 0.847723 0.295971 H\n0.465454 0.499259 0.308782 H\n0.573117 0.352304 0.360014 H\n0.088883 0.468440 0.420505 H\n0.665534 0.950897 0.429291 H\n0.241999 0.840134 0.450677 H\n0.489245 0.465655 0.453284 H\n0.595888 0.115305 0.460083 H\n0.900970 0.243074 0.461630 H\n0.461903 0.961774 0.502976 H\n0.036394 0.802449 0.516097 H\n0.823230 0.056982 0.528537 H\n0.153434 0.506011 0.530450 H\n0.009200 0.359646 0.581282 H\n0.491435 0.726791 0.590904 H\n0.479792 0.544070 0.593214 H\n0.133288 0.874142 0.593641 H\n0.923937 0.128873 0.601842 H\n0.313050 0.646953 0.604961 H\n0.359320 0.095043 0.634116 H\n0.669422 0.804463 0.647831 H\n0.676963 0.391546 0.648059 H\n0.641670 0.209762 0.653323 H\n0.153022 0.090041 0.676096 H\n0.484285 0.322045 0.680879 H\n0.862667 0.533761 0.686602 H\n0.250794 0.225133 0.700257 H\n0.762065 0.874161 0.727446 H\n0.948175 0.618911 0.762116 H\n0.555135 0.862978 0.777154 H\n0.307812 0.830203 0.790661 H\n0.850149 0.221647 0.827427 H\n0.107851 0.435200 0.832815 H\n0.770860 0.053349 0.833999 H\n0.860707 0.436740 0.840208 H\n0.239416 0.304080 0.867161 H\n0.129534 0.718916 0.874861 H\n0.440845 0.971539 0.909954 H\n0.291808 0.091834 0.939109 H\n0.261513 0.722371 0.950097 H\n0.745905 0.088928 0.974502 H\n0.126181 0.385964 0.980628 H\n0.749118 0.706946 0.990658 H\n0.401213 0.196707 0.267878 N\n0.264458 0.194987 0.376498 N\n0.499597 0.508449 0.868606 N\n0.498879 0.355415 0.941112 N\n0.559765 0.084350 0.271162 Si\n0.104273 0.069708 0.411979 Si\n0.280106 0.293944 0.476306 Si\n0.345425 0.565043 0.809604 Si\n0.661739 0.620185 0.849489 Si\n0.561090 0.216654 0.868091 Si\n",
"nsites": 88,
"nelements": 7,
"elements": [
"Bi",
"C",
"Cl",
"Ga",
"H",
"N",
"Si"
],
"chemical_system": "Bi-C-Cl-Ga-H-N-Si",
"density": 1.6119051090233747,
"density_atomic": 0.09328910992608246,
"volume": 943.3041013010707,
"volume_molar": 6.455352360818575,
"formula_full": "Ga1 Si6 Bi1 H54 C18 N4 Cl4",
"formula_reduced": "GaSi6BiH54C18(NCl)4",
"formula_anonymous": "ABC4D4E6F18G54",
"formation_energy": -0.2790905156454092,
"spacegroup": 1
},
{
"id": "oqmd-1557687",
"created_at": "2022-09-04T15:55:40.835859Z",
"updated_at": "2022-09-04T15:55:40.835887Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.551183 -1.956421 0.000000\n7.551183 1.956421 0.000000\n-0.501790 0.000000 9.413323\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.386960 0.386960 0.045854 Er\n0.613040 0.613040 0.954146 Er\n0.785325 0.785325 0.312522 Ho\n0.214675 0.214675 0.687478 Ho\n0.889296 0.889296 0.170006 N\n0.110704 0.110704 0.829994 N\n0.029568 0.029568 0.276991 Nd\n0.970432 0.970432 0.723009 Nd\n0.529062 0.529062 0.142881 O\n0.470938 0.470938 0.857119 O\n0.205728 0.205728 0.154953 S\n0.794272 0.794272 0.845047 S\n0.375991 0.375991 0.496671 Se\n0.624009 0.624009 0.503329 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Er",
"Ho",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Er-Ho-N-Nd-O-S-Se",
"density": 7.372917189386988,
"density_atomic": 0.05033589185744969,
"volume": 278.13155749078095,
"volume_molar": 11.963909921482252,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.45612092193842,
"spacegroup": 12
},
{
"id": "oqmd-1557661",
"created_at": "2022-09-04T15:55:40.010070Z",
"updated_at": "2022-09-04T15:55:40.010103Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.688905 -1.908581 0.000000\n7.688905 1.908581 0.000000\n-1.489503 0.000000 9.369879\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.607345 0.607345 0.440611 Dy\n0.392655 0.392655 0.559389 Dy\n0.192940 0.192940 0.165907 Er\n0.807060 0.807060 0.834093 Er\n0.948915 0.948915 0.233555 Ho\n0.051085 0.051085 0.766445 Ho\n0.093284 0.093284 0.299651 N\n0.906716 0.906716 0.700349 N\n0.461004 0.461004 0.358967 O\n0.538996 0.538996 0.641033 O\n0.364922 0.364922 0.030314 S\n0.635078 0.635078 0.969686 S\n0.785019 0.785019 0.348577 Se\n0.214981 0.214981 0.651423 Se\n",
"nsites": 14,
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"elements": [
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"Er",
"Ho",
"N",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Er-Ho-N-O-S-Se",
"density": 7.677258879975479,
"density_atomic": 0.05090834356005855,
"volume": 275.0040370785912,
"volume_molar": 11.829378720396681,
"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "DyHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4696572436050874,
"spacegroup": 12
},
{
"id": "oqmd-1558090",
"created_at": "2022-09-04T15:55:39.324463Z",
"updated_at": "2022-09-04T15:55:39.324480Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.808644 -1.960693 0.000000\n7.808644 1.960693 0.000000\n-1.182763 0.000000 9.515233\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.607102 0.607102 0.443697 Dy\n0.392898 0.392898 0.556303 Dy\n0.098672 0.098672 0.310872 N\n0.901328 0.901328 0.689128 N\n0.953275 0.953275 0.226797 Nd\n0.046725 0.046725 0.773203 Nd\n0.464213 0.464213 0.360901 O\n0.535787 0.535787 0.639099 O\n0.366574 0.366574 0.018629 S\n0.633426 0.633426 0.981371 S\n0.786489 0.786489 0.349563 Se\n0.213511 0.213511 0.650437 Se\n0.197681 0.197681 0.171137 Tb\n0.802319 0.802319 0.828863 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Nd",
"O",
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],
"chemical_system": "Dy-N-Nd-O-S-Se-Tb",
"density": 6.915400446071131,
"density_atomic": 0.04804999986184118,
"volume": 291.3631642092485,
"volume_molar": 12.533071336764918,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3276903537955653,
"spacegroup": 12
},
{
"id": "oqmd-65561",
"created_at": "2022-09-04T15:33:31.936162Z",
"updated_at": "2022-09-04T15:33:31.936192Z",
"structure_string": "K4 H8 Pt2 C12 S12 N12 O4\n1.0\n7.136876 0.000000 -0.028862\n0.000000 10.875005 0.000000\n-1.858539 0.000000 11.208325\nC H K N O Pt S\n12 8 4 12 4 2 12\ndirect\n0.338383 0.060421 0.220795 C\n0.838383 0.439579 0.220796 C\n0.063519 0.821818 0.234220 C\n0.563519 0.678183 0.234221 C\n0.346964 0.409002 0.240539 C\n0.846964 0.090998 0.240539 C\n0.153037 0.909001 0.759461 C\n0.653038 0.590998 0.759461 C\n0.936480 0.178183 0.765779 C\n0.436480 0.321818 0.765780 C\n0.161617 0.560421 0.779204 C\n0.661616 0.939579 0.779204 C\n0.315445 0.589674 0.417754 H\n0.815444 0.910325 0.417754 H\n0.117576 0.089944 0.445285 H\n0.617575 0.410056 0.445285 H\n0.382425 0.589945 0.554715 H\n0.882425 0.910057 0.554716 H\n0.184555 0.089674 0.582245 H\n0.684555 0.410325 0.582246 H\n0.391036 0.847673 0.499566 K\n0.891036 0.652327 0.499566 K\n0.108965 0.347673 0.500435 K\n0.608964 0.152326 0.500435 K\n0.435492 0.007229 0.298547 N\n0.935492 0.492771 0.298547 N\n0.526134 0.679858 0.331537 N\n0.026134 0.820142 0.331538 N\n0.406594 0.359247 0.331606 N\n0.906594 0.140753 0.331606 N\n0.093406 0.859246 0.668394 N\n0.593406 0.640753 0.668395 N\n0.473868 0.320142 0.668463 N\n0.973866 0.179857 0.668463 N\n0.564508 0.992771 0.701452 N\n0.064508 0.507228 0.701453 N\n0.767200 0.915737 0.493296 O\n0.267201 0.584263 0.493297 O\n0.232799 0.084262 0.506703 O\n0.732801 0.415738 0.506704 O\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n0.127578 0.815733 0.101154 S\n0.627579 0.684266 0.101155 S\n0.209745 0.143654 0.114964 S\n0.709745 0.356346 0.114964 S\n0.249361 0.480539 0.116761 S\n0.749361 0.019462 0.116762 S\n0.250639 0.980538 0.883238 S\n0.750640 0.519461 0.883239 S\n0.290255 0.643654 0.885037 S\n0.790255 0.856345 0.885037 S\n0.372422 0.315734 0.898845 S\n0.872422 0.184267 0.898845 S\n",
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"elements": [
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"H",
"K",
"N",
"O",
"Pt",
"S"
],
"chemical_system": "C-H-K-N-O-Pt-S",
"density": 2.5129834430104006,
"density_atomic": 0.06211646808182547,
"volume": 869.3346815673145,
"volume_molar": 9.694918185089158,
"formula_full": "K4 H8 Pt2 C12 S12 N12 O4",
"formula_reduced": "K2H4PtC6S6(N3O)2",
"formula_anonymous": "AB2C2D4E6F6G6",
"formation_energy": -0.344700960245755,
"spacegroup": 14
},
{
"id": "oqmd-1558099",
"created_at": "2022-09-04T15:55:39.336146Z",
"updated_at": "2022-09-04T15:55:39.336156Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.695635 -1.966746 0.000000\n7.695635 1.966746 0.000000\n-1.441482 0.000000 9.700669\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.799514 0.799514 0.323339 Dy\n0.200486 0.200486 0.676661 Dy\n0.046439 0.046439 0.263502 Gd\n0.953561 0.953561 0.736498 Gd\n0.900541 0.900541 0.192557 N\n0.099459 0.099459 0.807443 N\n0.385280 0.385280 0.051496 Nd\n0.614720 0.614720 0.948504 Nd\n0.537414 0.537414 0.143889 O\n0.462586 0.462586 0.856111 O\n0.213135 0.213135 0.159878 S\n0.786865 0.786865 0.840122 S\n0.630619 0.630619 0.476749 Se\n0.369381 0.369381 0.523251 Se\n",
"nsites": 14,
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"elements": [
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"N",
"Nd",
"O",
"S",
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],
"chemical_system": "Dy-Gd-N-Nd-O-S-Se",
"density": 6.842686311051736,
"density_atomic": 0.04767641782461434,
"volume": 293.64622257278927,
"volume_molar": 12.63127775696876,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "NdGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.43436796848604,
"spacegroup": 12
},
{
"id": "oqmd-1558193",
"created_at": "2022-09-04T15:55:39.634287Z",
"updated_at": "2022-09-04T15:55:39.634315Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.634535 -1.956543 0.000000\n7.634535 1.956543 0.000000\n-1.650273 0.000000 9.765676\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.948905 0.948905 0.251384 Ho\n0.051095 0.051095 0.748616 Ho\n0.094266 0.094266 0.317150 N\n0.905734 0.905734 0.682850 N\n0.195816 0.195816 0.176078 Nd\n0.804184 0.804184 0.823922 Nd\n0.460264 0.460264 0.364964 O\n0.539736 0.539736 0.635036 O\n0.785802 0.785802 0.353266 S\n0.214198 0.214198 0.646734 S\n0.374983 0.374983 0.037988 Se\n0.625017 0.625017 0.962012 Se\n0.610889 0.610889 0.448251 Tb\n0.389111 0.389111 0.551749 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.934001174345058,
"density_atomic": 0.04798701558857453,
"volume": 291.7455863484315,
"volume_molar": 12.54952133642135,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3474378804622305,
"spacegroup": 12
},
{
"id": "oqmd-1558200",
"created_at": "2022-09-04T15:55:39.678435Z",
"updated_at": "2022-09-04T15:55:39.678459Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.814036 -1.959663 0.000000\n7.814036 1.959663 0.000000\n-1.195353 0.000000 9.515032\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.802632 0.802632 0.329420 Dy\n0.197368 0.197368 0.670580 Dy\n0.901112 0.901112 0.190967 N\n0.098888 0.098888 0.809033 N\n0.046615 0.046615 0.274127 Nd\n0.953385 0.953385 0.725873 Nd\n0.535768 0.535768 0.140031 O\n0.464232 0.464232 0.859969 O\n0.634102 0.634102 0.481999 S\n0.365898 0.365898 0.518001 S\n0.213631 0.213631 0.152494 Se\n0.786369 0.786369 0.847506 Se\n0.392203 0.392203 0.056262 Tb\n0.607797 0.607797 0.943738 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.914406831272072,
"density_atomic": 0.04804309596794092,
"volume": 291.4050337085307,
"volume_molar": 12.53487236546655,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3284304652241365,
"spacegroup": 12
},
{
"id": "oqmd-1557742",
"created_at": "2022-09-04T15:55:39.768646Z",
"updated_at": "2022-09-04T15:55:39.768656Z",
"structure_string": "Nd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.610804 -1.951901 0.000000\n7.610804 1.951901 0.000000\n-1.658744 0.000000 9.725913\nEr N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.051511 0.051511 0.248492 Er\n0.948489 0.948489 0.751508 Er\n0.906067 0.906067 0.183429 N\n0.093933 0.093933 0.816571 N\n0.803841 0.803841 0.324256 Nd\n0.196159 0.196159 0.675744 Nd\n0.540600 0.540600 0.135736 O\n0.459400 0.459400 0.864264 O\n0.214011 0.214011 0.144715 S\n0.785989 0.785989 0.855285 S\n0.624339 0.624339 0.461869 Se\n0.375661 0.375661 0.538131 Se\n0.388971 0.388971 0.051982 Y\n0.611029 0.611029 0.948018 Y\n",
"nsites": 14,
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"elements": [
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"Nd",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Er-N-Nd-O-S-Se-Y",
"density": 6.222703174093572,
"density_atomic": 0.04844838841556699,
"volume": 288.96730021058136,
"volume_molar": 12.43001254932356,
"formula_full": "Nd2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.433276554319374,
"spacegroup": 12
},
{
"id": "oqmd-33475",
"created_at": "2022-09-04T15:33:35.771772Z",
"updated_at": "2022-09-04T15:33:35.771803Z",
"structure_string": "Ca4 Al4 Fe2 Si8 B2 H2 O32\n1.0\n7.131405 0.003511 -0.010134\n2.019772 8.951864 -0.000073\n-1.276590 -0.000457 8.855272\nAl B Ca Fe H O Si\n4 2 4 2 2 32 8\ndirect\n0.053847 0.800903 0.253017 Al\n0.350222 0.935967 0.421314 Al\n0.649770 0.064037 0.578694 Al\n0.946194 0.199120 0.746988 Al\n0.463350 0.632335 0.287771 B\n0.536548 0.367633 0.712286 B\n0.183163 0.099888 0.083170 Ca\n0.749264 0.347893 0.394776 Ca\n0.250738 0.652115 0.605207 Ca\n0.816818 0.900119 0.916831 Ca\n0.768192 0.592293 0.113125 Fe\n0.231826 0.407731 0.886851 Fe\n0.985957 0.042261 0.377462 H\n0.014056 0.957732 0.622530 H\n0.123286 0.846296 0.065400 O\n0.598852 0.134963 0.085499 O\n0.231893 0.335442 0.095652 O\n0.466131 0.653354 0.123308 O\n0.770381 0.366501 0.141868 O\n0.793508 0.872040 0.175985 O\n0.054236 0.604214 0.186389 O\n0.434263 0.980193 0.243666 O\n0.421253 0.484147 0.314360 O\n0.093922 0.996781 0.321438 O\n0.325826 0.744688 0.354746 O\n0.675208 0.617657 0.355116 O\n0.128765 0.374428 0.369873 O\n0.724359 0.099629 0.384660 O\n0.981479 0.758337 0.435341 O\n0.381094 0.127928 0.494641 O\n0.618921 0.872046 0.505353 O\n0.018485 0.241668 0.564644 O\n0.275636 0.900375 0.615337 O\n0.871227 0.625533 0.630109 O\n0.324802 0.382338 0.644905 O\n0.674173 0.255318 0.645268 O\n0.906071 0.003216 0.678561 O\n0.578753 0.515845 0.685654 O\n0.565747 0.019804 0.756335 O\n0.945732 0.395819 0.813591 O\n0.206498 0.127971 0.824028 O\n0.229665 0.633459 0.858180 O\n0.533968 0.346607 0.876723 O\n0.768109 0.664551 0.904292 O\n0.401133 0.865025 0.914478 O\n0.876702 0.153726 0.934573 O\n0.698346 0.256911 0.012136 Si\n0.640947 0.018375 0.229890 Si\n0.210577 0.449213 0.234104 Si\n0.783037 0.724887 0.476269 Si\n0.216955 0.275141 0.523751 Si\n0.789552 0.550809 0.765919 Si\n0.359042 0.981649 0.770118 Si\n0.301521 0.743081 0.987820 Si\n",
"nsites": 54,
"nelements": 7,
"elements": [
"Al",
"B",
"Ca",
"Fe",
"H",
"O",
"Si"
],
"chemical_system": "Al-B-Ca-Fe-H-O-Si",
"density": 3.3503379924239503,
"density_atomic": 0.09555215879451985,
"volume": 565.136368254372,
"volume_molar": 6.302464367079673,
"formula_full": "Ca4 Al4 Fe2 Si8 B2 H2 O32",
"formula_reduced": "Ca2Al2FeSi4BHO16",
"formula_anonymous": "ABCD2E2F4G16",
"formation_energy": -2.95912249406142,
"spacegroup": 2
},
{
"id": "oqmd-1558389",
"created_at": "2022-09-04T15:55:43.422453Z",
"updated_at": "2022-09-04T15:55:43.422475Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.771168 -1.931884 0.000000\n7.771168 1.931884 0.000000\n-1.474679 0.000000 9.501814\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.806788 0.806788 0.335080 Dy\n0.193212 0.193212 0.664920 Dy\n0.391988 0.391988 0.059032 Gd\n0.608012 0.608012 0.940968 Gd\n0.905762 0.905762 0.199807 N\n0.094238 0.094238 0.800193 N\n0.538541 0.538541 0.141248 O\n0.461459 0.461459 0.858752 O\n0.633989 0.633989 0.470434 S\n0.366011 0.366011 0.529566 S\n0.214898 0.214898 0.152844 Se\n0.785102 0.785102 0.847156 Se\n0.050269 0.050269 0.266990 Tb\n0.949731 0.949731 0.733010 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Gd",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Gd-N-O-S-Se-Tb",
"density": 7.213752629710859,
"density_atomic": 0.04907091677239467,
"volume": 285.3013744360252,
"volume_molar": 12.272321684822924,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.360200041295564,
"spacegroup": 12
},
{
"id": "oqmd-1557587",
"created_at": "2022-09-04T15:55:19.606982Z",
"updated_at": "2022-09-04T15:55:19.607010Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.703258 -1.919908 0.000000\n7.703258 1.919908 0.000000\n-1.500266 0.000000 9.429449\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.051610 0.051610 0.264332 Dy\n0.948390 0.948390 0.735668 Dy\n0.394155 0.394155 0.059003 Er\n0.605845 0.605845 0.940997 Er\n0.906975 0.906975 0.195493 N\n0.093025 0.093025 0.804507 N\n0.539030 0.539030 0.138161 O\n0.460970 0.460970 0.861839 O\n0.632870 0.632870 0.468136 S\n0.367130 0.367130 0.531864 S\n0.214853 0.214853 0.147042 Se\n0.785147 0.785147 0.852958 Se\n0.806933 0.806933 0.332972 Tb\n0.193067 0.193067 0.667028 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Er",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Er-N-O-S-Se-Tb",
"density": 7.498117959947368,
"density_atomic": 0.050194584337805465,
"volume": 278.91455193215944,
"volume_molar": 11.997590655341385,
"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbDyErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3709290659384226,
"spacegroup": 12
}
]
}