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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=10",
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"results": [
{
"id": "oqmd-44414",
"created_at": "2022-09-04T15:33:17.393157Z",
"updated_at": "2022-09-04T15:33:17.393180Z",
"structure_string": "Na2 Ca4 Al4 P4 H10 O22 F8\n1.0\n9.383106 0.000000 0.009591\n0.000000 10.588925 0.000000\n-1.434827 0.000000 5.178755\nAl Ca F H Na O P\n4 4 8 10 2 22 4\ndirect\n0.740240 0.592580 0.221165 Al\n0.740240 0.907420 0.221165 Al\n0.259759 0.092581 0.778836 Al\n0.259759 0.407420 0.778836 Al\n0.146180 0.581819 0.244765 Ca\n0.146180 0.918181 0.244765 Ca\n0.853820 0.081819 0.755236 Ca\n0.853820 0.418181 0.755236 Ca\n0.905373 0.526360 0.145621 F\n0.905373 0.973640 0.145621 F\n0.707891 0.061112 0.338914 F\n0.707891 0.438889 0.338914 F\n0.292109 0.561112 0.661087 F\n0.292109 0.938888 0.661087 F\n0.094627 0.026360 0.854378 F\n0.094627 0.473640 0.854378 F\n0.865055 0.750000 0.037923 H\n0.440416 0.521448 0.177733 H\n0.440416 0.978553 0.177733 H\n0.396174 0.123367 0.230949 H\n0.396174 0.376633 0.230949 H\n0.603825 0.623367 0.769051 H\n0.603825 0.876633 0.769051 H\n0.559584 0.021448 0.822268 H\n0.559584 0.478553 0.822268 H\n0.134945 0.250000 0.962077 H\n0.686608 0.250000 0.198748 Na\n0.313392 0.750000 0.801253 Na\n0.974021 0.250000 0.073311 O\n0.774212 0.750000 0.100349 O\n0.355566 0.041321 0.136743 O\n0.355566 0.458679 0.136743 O\n0.319196 0.750000 0.239347 O\n0.552749 0.632612 0.256525 O\n0.552749 0.867387 0.256525 O\n0.471278 0.250000 0.345091 O\n0.147518 0.130236 0.438574 O\n0.147518 0.369764 0.438574 O\n0.071915 0.750000 0.482747 O\n0.928085 0.250000 0.517253 O\n0.852482 0.630237 0.561427 O\n0.852482 0.869763 0.561427 O\n0.528722 0.750000 0.654910 O\n0.447252 0.132612 0.743476 O\n0.447252 0.367388 0.743476 O\n0.680804 0.250000 0.760654 O\n0.644434 0.541321 0.863258 O\n0.644434 0.958679 0.863258 O\n0.225788 0.250000 0.899650 O\n0.025980 0.750000 0.926690 O\n0.487886 0.750000 0.359728 P\n0.047053 0.250000 0.366922 P\n0.952948 0.750000 0.633079 P\n0.512113 0.250000 0.640271 P\n",
"nsites": 54,
"nelements": 7,
"elements": [
"Al",
"Ca",
"F",
"H",
"Na",
"O",
"P"
],
"chemical_system": "Al-Ca-F-H-Na-O-P",
"density": 3.071956123103795,
"density_atomic": 0.10491725638347653,
"volume": 514.6913087645751,
"volume_molar": 5.739895387646098,
"formula_full": "Na2 Ca4 Al4 P4 H10 O22 F8",
"formula_reduced": "NaCa2Al2P2H5O11F4",
"formula_anonymous": "AB2C2D2E4F5G11",
"formation_energy": -2.72436074873641,
"spacegroup": 11
},
{
"id": "oqmd-1557949",
"created_at": "2022-09-04T15:55:41.480770Z",
"updated_at": "2022-09-04T15:55:41.480794Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.716095 -1.921772 0.000000\n7.716095 1.921772 0.000000\n-1.452867 0.000000 9.425702\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.607343 0.607343 0.441291 Dy\n0.392657 0.392657 0.558709 Dy\n0.194034 0.194034 0.166855 Ho\n0.805966 0.805966 0.833145 Ho\n0.094611 0.094611 0.302536 N\n0.905389 0.905389 0.697464 N\n0.461636 0.461636 0.359584 O\n0.538364 0.538364 0.640416 O\n0.365617 0.365617 0.028178 S\n0.634383 0.634383 0.971822 S\n0.785430 0.785430 0.348791 Se\n0.214570 0.214570 0.651209 Se\n0.949833 0.949833 0.232360 Tb\n0.050167 0.050167 0.767640 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Ho",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Ho-N-O-S-Se-Tb",
"density": 7.45368990941399,
"density_atomic": 0.05008237403854775,
"volume": 279.53946410815877,
"volume_molar": 12.024471434530716,
"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.369773419271755,
"spacegroup": 12
},
{
"id": "oqmd-1558522",
"created_at": "2022-09-04T15:55:42.421857Z",
"updated_at": "2022-09-04T15:55:42.421883Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.762913 -1.933685 0.000000\n7.762913 1.933685 0.000000\n-1.485395 0.000000 9.509119\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.393429 0.393429 0.058928 Dy\n0.606571 0.606571 0.941072 Dy\n0.807132 0.807132 0.333923 Gd\n0.192868 0.192868 0.666077 Gd\n0.906773 0.906773 0.196011 N\n0.093227 0.093227 0.803989 N\n0.539056 0.539056 0.138821 O\n0.460944 0.460944 0.861179 O\n0.632520 0.632520 0.468432 S\n0.367480 0.367480 0.531568 S\n0.215003 0.215003 0.148549 Se\n0.784997 0.784997 0.851451 Se\n0.051287 0.051287 0.264089 Tb\n0.948713 0.948713 0.735911 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Gd",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Gd-N-O-S-Se-Tb",
"density": 7.20915534938381,
"density_atomic": 0.04903964417796458,
"volume": 285.4833112000993,
"volume_molar": 12.28014774769916,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.36036666200985,
"spacegroup": 12
},
{
"id": "oqmd-1558221",
"created_at": "2022-09-04T15:55:42.466619Z",
"updated_at": "2022-09-04T15:55:42.466632Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.850044 -1.942095 0.000000\n7.850044 1.942095 0.000000\n-1.576348 0.000000 9.588891\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.808521 0.808521 0.338487 Ho\n0.191479 0.191479 0.661513 Ho\n0.906414 0.906414 0.206963 N\n0.093586 0.093586 0.793037 N\n0.389635 0.389635 0.058611 Nd\n0.610365 0.610365 0.941389 Nd\n0.538913 0.538913 0.145394 O\n0.461087 0.461087 0.854606 O\n0.635460 0.635460 0.469954 S\n0.364540 0.364540 0.530046 S\n0.215455 0.215455 0.160659 Se\n0.784545 0.784545 0.839341 Se\n0.050415 0.050415 0.268826 Tb\n0.949585 0.949585 0.731174 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Ho",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.919062709248369,
"density_atomic": 0.04788363337974012,
"volume": 292.37547386960597,
"volume_molar": 12.576616131531921,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3237719683193734,
"spacegroup": 12
},
{
"id": "oqmd-1558152",
"created_at": "2022-09-04T15:55:42.516008Z",
"updated_at": "2022-09-04T15:55:42.516029Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.785353 -1.940170 0.000000\n7.785353 1.940170 0.000000\n-1.739790 0.000000 9.665209\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.604912 0.604912 0.441530 Dy\n0.395088 0.395088 0.558470 Dy\n0.944689 0.944689 0.244993 Ho\n0.055311 0.055311 0.755007 Ho\n0.088372 0.088372 0.306695 N\n0.911628 0.911628 0.693305 N\n0.187349 0.187349 0.163831 Nd\n0.812651 0.812651 0.836169 Nd\n0.458788 0.458788 0.364410 O\n0.541212 0.541212 0.635590 O\n0.369578 0.369578 0.042975 S\n0.630422 0.630422 0.957025 S\n0.783387 0.783387 0.355347 Se\n0.216613 0.216613 0.644653 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Ho",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Ho-N-Nd-O-S-Se",
"density": 6.968993483042473,
"density_atomic": 0.04794780125013084,
"volume": 291.98419187077525,
"volume_molar": 12.559785022433259,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.426050112890802,
"spacegroup": 12
},
{
"id": "oqmd-109072",
"created_at": "2022-09-04T15:33:35.703399Z",
"updated_at": "2022-09-04T15:33:35.703426Z",
"structure_string": "Ag2 H28 C6 S6 N12 Cl2 O2\n1.0\n6.026220 -0.027725 0.014642\n-2.203315 9.591898 0.038584\n-0.419035 -1.979928 10.660728\nAg C Cl H N O S\n2 6 2 28 12 2 6\ndirect\n0.625195 0.534105 0.388518 Ag\n0.374806 0.465894 0.611482 Ag\n0.686296 0.693004 0.142310 C\n0.889646 0.315460 0.205419 C\n0.582429 0.184114 0.453797 C\n0.417571 0.815887 0.546203 C\n0.110353 0.684540 0.794582 C\n0.313704 0.306996 0.857689 C\n0.234453 0.954138 0.103910 Cl\n0.765547 0.045863 0.896090 Cl\n0.651882 0.220779 0.059134 H\n0.807171 0.881294 0.080330 H\n0.980367 0.150034 0.092799 H\n0.519862 0.847934 0.115903 H\n0.030042 0.732566 0.120741 H\n0.596141 0.371467 0.153972 H\n0.916689 0.579572 0.181778 H\n0.166401 0.232430 0.226906 H\n0.059249 0.958570 0.279728 H\n0.506823 0.060264 0.281251 H\n0.740754 0.030643 0.367176 H\n0.318519 0.711401 0.368174 H\n0.112659 0.064602 0.404996 H\n0.167899 0.841270 0.422788 H\n0.832101 0.158729 0.577211 H\n0.887341 0.935398 0.595005 H\n0.681480 0.288599 0.631825 H\n0.259246 0.969356 0.632824 H\n0.493175 0.939735 0.718749 H\n0.940752 0.041430 0.720271 H\n0.833599 0.767570 0.773093 H\n0.083311 0.420428 0.818223 H\n0.403858 0.628533 0.846027 H\n0.969958 0.267434 0.879260 H\n0.480138 0.152066 0.884096 H\n0.019633 0.849967 0.907201 H\n0.192829 0.118705 0.919670 H\n0.348118 0.779221 0.940867 H\n0.668597 0.814702 0.107119 N\n0.692900 0.297846 0.137125 N\n0.888972 0.659744 0.138353 N\n0.026211 0.228755 0.169548 N\n0.609029 0.081465 0.362501 N\n0.284009 0.782993 0.440581 N\n0.715991 0.217006 0.559419 N\n0.390971 0.918536 0.637499 N\n0.973790 0.771245 0.830451 N\n0.111028 0.340256 0.861645 N\n0.307098 0.702153 0.862875 N\n0.331405 0.185298 0.892881 N\n0.013157 0.970492 0.366813 O\n0.986845 0.029509 0.633187 O\n0.447026 0.583675 0.185092 S\n0.973956 0.444536 0.335651 S\n0.367827 0.270889 0.430571 S\n0.632173 0.729111 0.569429 S\n0.026044 0.555464 0.664349 S\n0.552973 0.416324 0.814908 S\n",
"nsites": 58,
"nelements": 7,
"elements": [
"Ag",
"C",
"Cl",
"H",
"N",
"O",
"S"
],
"chemical_system": "Ag-C-Cl-H-N-O-S",
"density": 2.1004858719804576,
"density_atomic": 0.09413243801641237,
"volume": 616.1531691114541,
"volume_molar": 6.397519162257345,
"formula_full": "Ag2 H28 C6 S6 N12 Cl2 O2",
"formula_reduced": "AgH14C3S3N6ClO",
"formula_anonymous": "ABCD3E3F6G14",
"formation_energy": -0.443407090730257,
"spacegroup": 2
},
{
"id": "oqmd-1558171",
"created_at": "2022-09-04T15:55:42.598479Z",
"updated_at": "2022-09-04T15:55:42.598505Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.790971 -1.941772 0.000000\n7.790971 1.941772 0.000000\n-1.692155 0.000000 9.645323\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.945172 0.945172 0.243835 Dy\n0.054828 0.054828 0.756165 Dy\n0.604370 0.604370 0.441685 Ho\n0.395630 0.395630 0.558315 Ho\n0.089155 0.089155 0.308257 N\n0.910845 0.910845 0.691743 N\n0.188633 0.188633 0.165410 Nd\n0.811367 0.811367 0.834590 Nd\n0.459291 0.459291 0.364960 O\n0.540709 0.540709 0.635040 O\n0.369089 0.369089 0.041276 S\n0.630911 0.630911 0.958724 S\n0.784107 0.784107 0.357171 Se\n0.215893 0.215893 0.642829 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Ho",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Ho-N-Nd-O-S-Se",
"density": 6.972568732639253,
"density_atomic": 0.04797239954506441,
"volume": 291.8344742553195,
"volume_molar": 12.553344875615215,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4256129943193727,
"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-1558383",
"created_at": "2022-09-04T15:55:42.619581Z",
"updated_at": "2022-09-04T15:55:42.619603Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.599480 -1.947093 0.000000\n7.599480 1.947093 0.000000\n-1.288751 0.000000 9.550822\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.953680 0.953680 0.239510 Gd\n0.046320 0.046320 0.760490 Gd\n0.610993 0.610993 0.448295 Ho\n0.389007 0.389007 0.551705 Ho\n0.099496 0.099496 0.318419 N\n0.900504 0.900504 0.681581 N\n0.463085 0.463085 0.362511 O\n0.536915 0.536915 0.637489 O\n0.787164 0.787164 0.351251 S\n0.212836 0.212836 0.648749 S\n0.371453 0.371453 0.021661 Se\n0.628547 0.628547 0.978339 Se\n0.202317 0.202317 0.182421 Tb\n0.797683 0.797683 0.817579 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"Ho",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-Ho-N-O-S-Se-Tb",
"density": 7.310105497254322,
"density_atomic": 0.049532097263902265,
"volume": 282.6450074465723,
"volume_molar": 12.158057285389331,
"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.383319242962231,
"spacegroup": 12
},
{
"id": "oqmd-1558143",
"created_at": "2022-09-04T15:55:42.777161Z",
"updated_at": "2022-09-04T15:55:42.777189Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.644373 -1.960071 0.000000\n7.644373 1.960071 0.000000\n-1.680826 0.000000 9.789011\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.611339 0.611339 0.448155 Gd\n0.388661 0.388661 0.551845 Gd\n0.948755 0.948755 0.251154 Ho\n0.051245 0.051245 0.748846 Ho\n0.094196 0.094196 0.315916 N\n0.905804 0.905804 0.684084 N\n0.195511 0.195511 0.175340 Nd\n0.804489 0.804489 0.824660 Nd\n0.460104 0.460104 0.364302 O\n0.539896 0.539896 0.635698 O\n0.785892 0.785892 0.352081 S\n0.214108 0.214108 0.647919 S\n0.374630 0.374630 0.038212 Se\n0.625370 0.625370 0.961788 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"Ho",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Gd-Ho-N-Nd-O-S-Se",
"density": 6.877167298221174,
"density_atomic": 0.04772495751194935,
"volume": 293.3475634105004,
"volume_molar": 12.618430846150423,
"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4373366672955634,
"spacegroup": 12
},
{
"id": "oqmd-1558153",
"created_at": "2022-09-04T15:55:42.808425Z",
"updated_at": "2022-09-04T15:55:42.808451Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.798393 -1.943270 0.000000\n7.798393 1.943270 0.000000\n-1.761071 0.000000 9.685535\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.944648 0.944648 0.244973 Ho\n0.055352 0.055352 0.755027 Ho\n0.088260 0.088260 0.305328 N\n0.911740 0.911740 0.694672 N\n0.186991 0.186991 0.162824 Nd\n0.813009 0.813009 0.837176 Nd\n0.458706 0.458706 0.363916 O\n0.541294 0.541294 0.636084 O\n0.369477 0.369477 0.043580 S\n0.630523 0.630523 0.956420 S\n0.783186 0.783186 0.354028 Se\n0.216814 0.216814 0.645972 Se\n0.605477 0.605477 0.441528 Tb\n0.394523 0.394523 0.558472 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Ho",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.891223431947093,
"density_atomic": 0.04769097061545134,
"volume": 293.55661709816735,
"volume_molar": 12.627423351389906,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3293183761765164,
"spacegroup": 12
},
{
"id": "oqmd-1558442",
"created_at": "2022-09-04T15:55:42.894646Z",
"updated_at": "2022-09-04T15:55:42.894680Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.616069 -1.945741 0.000000\n7.616069 1.945741 0.000000\n-1.380072 0.000000 9.587254\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.798962 0.798962 0.320972 Dy\n0.201038 0.201038 0.679028 Dy\n0.387280 0.387280 0.052289 Gd\n0.612720 0.612720 0.947711 Gd\n0.900916 0.900916 0.187335 N\n0.099084 0.099084 0.812665 N\n0.537462 0.537462 0.139779 O\n0.462538 0.462538 0.860221 O\n0.213193 0.213193 0.153723 S\n0.786807 0.786807 0.846277 S\n0.629435 0.629435 0.475924 Se\n0.370565 0.370565 0.524076 Se\n0.046819 0.046819 0.260507 Tb\n0.953181 0.953181 0.739493 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Gd",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Dy-Gd-N-O-S-Se-Tb",
"density": 7.243108318954595,
"density_atomic": 0.04927060626240333,
"volume": 284.1450727323992,
"volume_molar": 12.222583030392473,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.38160747700985,
"spacegroup": 12
}
]
}