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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nelements&page=5",
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"results": [
{
"id": "oqmd-1558060",
"created_at": "2022-09-04T15:55:41.820232Z",
"updated_at": "2022-09-04T15:55:41.820260Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.575757 -1.964747 0.000000\n7.575757 1.964747 0.000000\n-0.480306 0.000000 9.440068\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.784833 0.784833 0.313389 Dy\n0.215167 0.215167 0.686611 Dy\n0.386605 0.386605 0.045202 Ho\n0.613395 0.613395 0.954798 Ho\n0.888888 0.888888 0.169633 N\n0.111112 0.111112 0.830367 N\n0.028361 0.028361 0.277376 Nd\n0.971639 0.971639 0.722624 Nd\n0.528517 0.528517 0.144225 O\n0.471483 0.471483 0.855775 O\n0.205406 0.205406 0.155834 S\n0.794594 0.794594 0.844166 S\n0.377590 0.377590 0.495407 Se\n0.622410 0.622410 0.504593 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Ho",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Ho-N-Nd-O-S-Se",
"density": 7.240884318416956,
"density_atomic": 0.04981845413106543,
"volume": 281.0203617151176,
"volume_molar": 12.08817267624681,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4526861914622304,
"spacegroup": 12
},
{
"id": "oqmd-111376",
"created_at": "2022-09-04T15:33:34.279990Z",
"updated_at": "2022-09-04T15:33:34.280017Z",
"structure_string": "Cd2 Re4 H16 C4 S4 N8 O16\n1.0\n8.572538 -0.039447 -0.146038\n3.448779 8.225848 -0.116134\n3.628863 0.775849 8.998479\nC Cd H N O Re S\n4 2 16 8 16 4 4\ndirect\n0.996675 0.991220 0.228986 C\n0.876098 0.468637 0.412161 C\n0.123901 0.531363 0.587839 C\n0.003326 0.008780 0.771015 C\n0.598094 0.289564 0.427939 Cd\n0.401907 0.710438 0.572059 Cd\n0.092976 0.100926 0.028555 H\n0.233356 0.840699 0.107121 H\n0.888878 0.221154 0.142821 H\n0.981925 0.626102 0.261311 H\n0.118691 0.350150 0.274296 H\n0.152390 0.765118 0.285660 H\n0.773806 0.716461 0.387501 H\n0.010846 0.223668 0.405131 H\n0.989153 0.776332 0.594870 H\n0.226192 0.283539 0.612499 H\n0.847609 0.234882 0.714341 H\n0.881306 0.649849 0.725704 H\n0.018074 0.373897 0.738690 H\n0.111122 0.778848 0.857178 H\n0.766644 0.159299 0.892880 H\n0.907024 0.899074 0.971446 H\n0.988885 0.111616 0.123998 N\n0.126667 0.847971 0.200141 N\n0.882045 0.615513 0.355707 N\n0.009827 0.337092 0.357928 N\n0.990171 0.662908 0.642073 N\n0.117953 0.384487 0.644293 N\n0.873331 0.152030 0.799860 N\n0.011115 0.888385 0.876001 N\n0.845213 0.663125 0.060434 O\n0.491115 0.707062 0.079499 O\n0.691240 0.029896 0.101626 O\n0.218229 0.500457 0.126346 O\n0.323788 0.078118 0.168824 O\n0.703402 0.403441 0.187789 O\n0.528813 0.837489 0.342464 O\n0.429853 0.186067 0.358859 O\n0.570149 0.813932 0.641141 O\n0.471189 0.162511 0.657536 O\n0.296599 0.596559 0.812210 O\n0.676214 0.921879 0.831177 O\n0.781767 0.499544 0.873652 O\n0.308762 0.970103 0.898373 O\n0.508884 0.292938 0.920502 O\n0.154786 0.336877 0.939564 O\n0.705785 0.569061 0.049949 Re\n0.495964 0.030824 0.242094 Re\n0.504038 0.969175 0.757905 Re\n0.294214 0.430939 0.950050 Re\n0.843002 0.007929 0.402460 S\n0.301555 0.555841 0.438131 S\n0.698445 0.444159 0.561870 S\n0.156999 0.992071 0.597540 S\n",
"nsites": 54,
"nelements": 7,
"elements": [
"C",
"Cd",
"H",
"N",
"O",
"Re",
"S"
],
"chemical_system": "C-Cd-H-N-O-Re-S",
"density": 3.9668117129394154,
"density_atomic": 0.0843062297263232,
"volume": 640.5220607693645,
"volume_molar": 7.14317409229331,
"formula_full": "Cd2 Re4 H16 C4 S4 N8 O16",
"formula_reduced": "CdRe2H8C2S2(NO2)4",
"formula_anonymous": "AB2C2D2E4F8G8",
"formation_energy": -0.948781290700153,
"spacegroup": 2
},
{
"id": "oqmd-1558176",
"created_at": "2022-09-04T15:55:41.950101Z",
"updated_at": "2022-09-04T15:55:41.950125Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.682999 -1.959389 0.000000\n7.682999 1.959389 0.000000\n-1.562203 0.000000 9.724921\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.198431 0.198431 0.173199 Gd\n0.801569 0.801569 0.826801 Gd\n0.952469 0.952469 0.242109 Ho\n0.047531 0.047531 0.757891 Ho\n0.097264 0.097264 0.306184 N\n0.902736 0.902736 0.693816 N\n0.614677 0.614677 0.448254 Nd\n0.385323 0.385323 0.551746 Nd\n0.461886 0.461886 0.356975 O\n0.538114 0.538114 0.643025 O\n0.786973 0.786973 0.340713 S\n0.213027 0.213027 0.659287 S\n0.371877 0.371877 0.030632 Se\n0.628123 0.628123 0.969368 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"Ho",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Gd-Ho-N-Nd-O-S-Se",
"density": 6.890084603964946,
"density_atomic": 0.0478145987611814,
"volume": 292.797604972605,
"volume_molar": 12.594774223827878,
"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4330188108669923,
"spacegroup": 12
},
{
"id": "oqmd-1558195",
"created_at": "2022-09-04T15:55:41.991400Z",
"updated_at": "2022-09-04T15:55:41.991430Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.839037 -1.965990 0.000000\n7.839037 1.965990 0.000000\n-1.230963 0.000000 9.555580\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.608177 0.608177 0.444032 Gd\n0.391823 0.391823 0.555968 Gd\n0.098627 0.098627 0.308250 N\n0.901373 0.901373 0.691750 N\n0.953258 0.953258 0.226448 Nd\n0.046742 0.046742 0.773552 Nd\n0.464211 0.464211 0.359467 O\n0.535789 0.535789 0.640533 O\n0.366365 0.366365 0.019238 S\n0.633635 0.633635 0.980762 S\n0.786514 0.786514 0.347234 Se\n0.213486 0.213486 0.652766 Se\n0.197131 0.197131 0.169635 Tb\n0.802869 0.802869 0.830365 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.781822766376918,
"density_atomic": 0.04753319079270342,
"volume": 294.5310375029372,
"volume_molar": 12.669338328796618,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.321683866771756,
"spacegroup": 12
},
{
"id": "oqmd-1558065",
"created_at": "2022-09-04T15:55:41.997211Z",
"updated_at": "2022-09-04T15:55:41.997240Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.648648 -1.979706 0.000000\n7.648648 1.979706 0.000000\n-0.794298 0.000000 9.567799\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.789042 0.789042 0.315386 Gd\n0.210958 0.210958 0.684614 Gd\n0.892586 0.892586 0.174498 N\n0.107414 0.107414 0.825502 N\n0.035284 0.035284 0.272328 Nd\n0.964716 0.964716 0.727672 Nd\n0.531401 0.531401 0.142125 O\n0.468599 0.468599 0.857875 O\n0.207899 0.207899 0.153466 S\n0.792101 0.792101 0.846534 S\n0.624678 0.624678 0.495168 Se\n0.375322 0.375322 0.504832 Se\n0.386792 0.386792 0.047125 Tb\n0.613208 0.613208 0.952875 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.893663659015484,
"density_atomic": 0.04831707363236886,
"volume": 289.7526474082867,
"volume_molar": 12.463794487681081,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.344794270343184,
"spacegroup": 12
},
{
"id": "oqmd-70513",
"created_at": "2022-09-04T15:33:37.500507Z",
"updated_at": "2022-09-04T15:33:37.500533Z",
"structure_string": "Sb4 P4 C12 S12 N12 Cl12 O4\n1.0\n-6.935927 -6.935927 6.935927\n-6.935927 6.935927 -6.935927\n6.935927 -6.935927 -6.935927\nC Cl N O P S Sb\n12 12 12 4 4 12 4\ndirect\n0.772366 0.483606 0.000000 C\n0.483606 0.772366 0.000000 C\n0.711240 0.227634 0.227634 C\n0.227634 0.711240 0.227634 C\n0.516395 0.516395 0.288760 C\n0.772366 0.000000 0.483606 C\n0.000000 0.772366 0.483606 C\n0.516395 0.288760 0.516395 C\n0.288760 0.516395 0.516395 C\n0.227634 0.227634 0.711240 C\n0.483606 0.000000 0.772366 C\n0.000000 0.483606 0.772366 C\n0.375347 0.178448 0.000000 Cl\n0.178448 0.375347 0.000000 Cl\n0.375347 0.000000 0.178448 Cl\n0.000000 0.375347 0.178448 Cl\n0.821552 0.821552 0.196899 Cl\n0.178448 0.000000 0.375347 Cl\n0.000000 0.178448 0.375347 Cl\n0.803101 0.624653 0.624653 Cl\n0.624653 0.803101 0.624653 Cl\n0.624653 0.624653 0.803101 Cl\n0.821552 0.196899 0.821552 Cl\n0.196899 0.821552 0.821552 Cl\n0.869141 0.558423 0.000000 N\n0.558423 0.869141 0.000000 N\n0.689281 0.130858 0.130858 N\n0.130858 0.689281 0.130858 N\n0.441578 0.441578 0.310718 N\n0.441578 0.310718 0.441578 N\n0.310718 0.441578 0.441578 N\n0.869141 0.000000 0.558423 N\n0.000000 0.869141 0.558423 N\n0.130858 0.130858 0.689281 N\n0.558423 0.000000 0.869141 N\n0.000000 0.558423 0.869141 N\n0.779194 0.000000 0.000000 O\n0.000000 0.779194 0.000000 O\n0.220805 0.220805 0.220805 O\n0.000000 0.000000 0.779194 O\n0.654711 0.000000 0.000000 P\n0.000000 0.654711 0.000000 P\n0.345289 0.345289 0.345289 P\n0.000000 0.000000 0.654711 P\n0.647607 0.388740 0.000000 S\n0.388740 0.647607 0.000000 S\n0.611259 0.611259 0.258867 S\n0.741132 0.352393 0.352393 S\n0.352393 0.741132 0.352393 S\n0.647607 0.000000 0.388740 S\n0.000000 0.647607 0.388740 S\n0.611259 0.258867 0.611259 S\n0.258867 0.611259 0.611259 S\n0.388740 0.000000 0.647607 S\n0.000000 0.388740 0.647607 S\n0.352393 0.352393 0.741132 S\n0.209379 0.000000 0.000000 Sb\n0.000000 0.209379 0.000000 Sb\n0.000000 0.000000 0.209379 Sb\n0.790621 0.790621 0.790621 Sb\n",
"nsites": 60,
"nelements": 7,
"elements": [
"C",
"Cl",
"N",
"O",
"P",
"S",
"Sb"
],
"chemical_system": "C-Cl-N-O-P-S-Sb",
"density": 2.236196796848611,
"density_atomic": 0.044954970634212756,
"volume": 1334.668873175446,
"volume_molar": 13.395939703755205,
"formula_full": "Sb4 P4 C12 S12 N12 Cl12 O4",
"formula_reduced": "SbPC3S3N3Cl3O",
"formula_anonymous": "ABCD3E3F3G3",
"formation_energy": -0.504452283817777,
"spacegroup": 217
},
{
"id": "oqmd-65248",
"created_at": "2022-09-04T15:33:37.195425Z",
"updated_at": "2022-09-04T15:33:37.195450Z",
"structure_string": "Li2 Cu1 P6 H20 C2 N6 O22\n1.0\n9.387179 0.041611 0.017210\n0.882701 9.021330 0.066769\n-2.491912 -2.045420 6.473090\nC Cu H Li N O P\n2 1 20 2 6 22 6\ndirect\n0.951650 0.492861 0.243109 C\n0.048349 0.507140 0.756891 C\n0.499999 0.500000 0.499999 Cu\n0.368588 0.424093 0.070469 H\n0.429555 0.803834 0.073389 H\n0.052808 0.288176 0.135913 H\n0.402993 0.600496 0.161227 H\n0.884408 0.269173 0.182195 H\n0.149085 0.539403 0.199061 H\n0.589757 0.780472 0.224007 H\n0.039759 0.698795 0.271708 H\n0.761355 0.494783 0.323723 H\n0.828830 0.677134 0.355526 H\n0.171170 0.322867 0.644474 H\n0.238645 0.505218 0.676278 H\n0.960241 0.301204 0.728291 H\n0.410243 0.219529 0.775993 H\n0.850916 0.460598 0.800939 H\n0.115592 0.730828 0.817805 H\n0.597006 0.399504 0.838773 H\n0.947192 0.711822 0.864087 H\n0.570445 0.196167 0.926611 H\n0.631411 0.575907 0.929531 H\n0.845029 0.939062 0.173804 Li\n0.154970 0.060939 0.826196 Li\n0.963757 0.339062 0.183258 N\n0.054982 0.582412 0.239545 N\n0.836386 0.559231 0.305983 N\n0.163614 0.440767 0.694017 N\n0.945017 0.417589 0.760455 N\n0.036243 0.660939 0.816742 N\n0.220362 0.200250 0.090051 O\n0.502283 0.724133 0.110963 O\n0.347621 0.516500 0.171652 O\n0.747147 0.136201 0.174672 O\n0.493845 0.118644 0.203521 O\n0.053381 0.952725 0.264166 O\n0.323550 0.024418 0.325061 O\n0.637582 0.378735 0.366695 O\n0.778254 0.883164 0.374407 O\n0.389481 0.310208 0.469676 O\n0.279242 0.833721 0.471186 O\n0.720758 0.166280 0.528813 O\n0.610519 0.689791 0.530324 O\n0.221746 0.116836 0.625593 O\n0.362419 0.621266 0.633305 O\n0.676451 0.975581 0.674939 O\n0.946619 0.047275 0.735834 O\n0.506155 0.881357 0.796479 O\n0.252853 0.863799 0.825328 O\n0.652378 0.483501 0.828348 O\n0.497717 0.275866 0.889037 O\n0.779638 0.799751 0.909949 O\n0.346404 0.178700 0.272865 P\n0.655545 0.205117 0.313353 P\n0.204247 0.992881 0.424252 P\n0.795752 0.007120 0.575747 P\n0.344455 0.794883 0.686647 P\n0.653596 0.821299 0.727136 P\n",
"nsites": 59,
"nelements": 7,
"elements": [
"C",
"Cu",
"H",
"Li",
"N",
"O",
"P"
],
"chemical_system": "C-Cu-H-Li-N-O-P",
"density": 2.2464535300783632,
"density_atomic": 0.10735749380853728,
"volume": 549.5657350684933,
"volume_molar": 5.60942748043277,
"formula_full": "Li2 Cu1 P6 H20 C2 N6 O22",
"formula_reduced": "Li2CuP6H20C2(N3O11)2",
"formula_anonymous": "AB2C2D6E6F20G22",
"formation_energy": -1.47006038466989,
"spacegroup": 2
},
{
"id": "oqmd-1558123",
"created_at": "2022-09-04T15:55:42.206335Z",
"updated_at": "2022-09-04T15:55:42.206359Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.579244 -1.962250 0.000000\n7.579244 1.962250 0.000000\n-0.496209 0.000000 9.451923\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.385596 0.385596 0.044529 Dy\n0.614404 0.614404 0.955471 Dy\n0.784941 0.784941 0.313975 Ho\n0.215059 0.215059 0.686025 Ho\n0.887782 0.887782 0.170764 N\n0.112218 0.112218 0.829236 N\n0.027334 0.027334 0.277273 Nd\n0.972666 0.972666 0.722727 Nd\n0.527793 0.527793 0.144486 O\n0.472207 0.472207 0.855514 O\n0.204837 0.204837 0.158746 S\n0.795163 0.795163 0.841254 S\n0.376756 0.376756 0.495519 Se\n0.623244 0.623244 0.504481 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Ho",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Ho-N-Nd-O-S-Se",
"density": 7.2376737151905095,
"density_atomic": 0.04979636466208123,
"volume": 281.145021228039,
"volume_molar": 12.09353494148885,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4537783678908016,
"spacegroup": 12
},
{
"id": "oqmd-1558013",
"created_at": "2022-09-04T15:55:42.292028Z",
"updated_at": "2022-09-04T15:55:42.292056Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.842094 -1.936668 0.000000\n7.842094 1.936668 0.000000\n-1.630282 0.000000 9.588388\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.948340 0.948340 0.232715 Dy\n0.051660 0.051660 0.767285 Dy\n0.190284 0.190284 0.160855 Ho\n0.809716 0.809716 0.839145 Ho\n0.092088 0.092088 0.291586 N\n0.907912 0.907912 0.708414 N\n0.609941 0.609941 0.440651 Nd\n0.390059 0.390059 0.559349 Nd\n0.460255 0.460255 0.355150 O\n0.539745 0.539745 0.644850 O\n0.363866 0.363866 0.032659 S\n0.636134 0.636134 0.967341 S\n0.783894 0.783894 0.339708 Se\n0.216106 0.216106 0.660292 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Ho",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Ho-N-Nd-O-S-Se",
"density": 6.986611298571866,
"density_atomic": 0.048069014667752805,
"volume": 291.24790879876156,
"volume_molar": 12.528113591727033,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4197860236050874,
"spacegroup": 12
},
{
"id": "oqmd-1558219",
"created_at": "2022-09-04T15:55:42.116548Z",
"updated_at": "2022-09-04T15:55:42.116582Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.840178 -1.935789 0.000000\n7.840178 1.935789 0.000000\n-1.669872 0.000000 9.602109\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.810844 0.810844 0.340020 Dy\n0.189156 0.189156 0.659980 Dy\n0.051828 0.051828 0.265577 Ho\n0.948172 0.948172 0.734423 Ho\n0.908582 0.908582 0.207874 N\n0.091418 0.091418 0.792126 N\n0.390095 0.390095 0.058973 Nd\n0.609905 0.609905 0.941027 Nd\n0.539967 0.539967 0.145068 O\n0.460033 0.460033 0.854932 O\n0.634640 0.634640 0.465613 S\n0.365360 0.365360 0.534387 S\n0.216159 0.216159 0.160381 Se\n0.783841 0.783841 0.839619 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Dy",
"Ho",
"N",
"Nd",
"O",
"S",
"Se"
],
"chemical_system": "Dy-Ho-N-Nd-O-S-Se",
"density": 6.981501406010346,
"density_atomic": 0.0480338577812461,
"volume": 291.4610786366202,
"volume_molar": 12.537283154365399,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4192644928908016,
"spacegroup": 12
},
{
"id": "oqmd-1558473",
"created_at": "2022-09-04T15:55:42.195946Z",
"updated_at": "2022-09-04T15:55:42.195984Z",
"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.753740 -1.928535 0.000000\n7.753740 1.928535 0.000000\n-1.599964 0.000000 9.533040\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.190341 0.190341 0.163726 Gd\n0.809659 0.809659 0.836274 Gd\n0.947218 0.947218 0.238573 Ho\n0.052782 0.052782 0.761427 Ho\n0.091233 0.091233 0.301369 N\n0.908767 0.908767 0.698631 N\n0.460037 0.460037 0.360760 O\n0.539963 0.539963 0.639240 O\n0.367410 0.367410 0.035990 S\n0.632590 0.632590 0.964010 S\n0.784049 0.784049 0.349954 Se\n0.215951 0.215951 0.650046 Se\n0.606904 0.606904 0.440769 Tb\n0.393096 0.393096 0.559231 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"Ho",
"N",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-Ho-N-O-S-Se-Tb",
"density": 7.247108996328894,
"density_atomic": 0.04910524312174305,
"volume": 285.1019384078971,
"volume_molar": 12.263742886008618,
"formula_full": "Tb2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbGdHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.362499257962232,
"spacegroup": 12
},
{
"id": "oqmd-1558029",
"created_at": "2022-09-04T15:55:42.312821Z",
"updated_at": "2022-09-04T15:55:42.312841Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.830928 -1.966890 0.000000\n7.830928 1.966890 0.000000\n-1.232771 0.000000 9.564223\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.197689 0.197689 0.170632 Gd\n0.802311 0.802311 0.829368 Gd\n0.098218 0.098218 0.309605 N\n0.901782 0.901782 0.690395 N\n0.952893 0.952893 0.227207 Nd\n0.047107 0.047107 0.772793 Nd\n0.463941 0.463941 0.360426 O\n0.536059 0.536059 0.639574 O\n0.366562 0.366562 0.019947 S\n0.633438 0.633438 0.980053 S\n0.786750 0.786750 0.350653 Se\n0.213250 0.213250 0.649347 Se\n0.607307 0.607307 0.443821 Tb\n0.392693 0.392693 0.556179 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.7796068622647025,
"density_atomic": 0.047517659718452045,
"volume": 294.62730452113414,
"volume_molar": 12.673479282611813,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.321262009628899,
"spacegroup": 12
}
]
}