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{
"id": "oqmd-1557307",
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"updated_at": "2022-09-04T15:55:46.712626Z",
"structure_string": "Nd2 Y2 Ho2 S4 N2 O2\n1.0\n7.649459 -1.928476 0.000000\n7.649459 1.928476 0.000000\n-1.647899 0.000000 9.488879\nHo N Nd O S Y\n2 2 2 2 4 2\ndirect\n0.803045 0.803045 0.333370 Ho\n0.196955 0.196955 0.666630 Ho\n0.904661 0.904661 0.204811 N\n0.095339 0.095339 0.795189 N\n0.386213 0.386213 0.055347 Nd\n0.613787 0.613787 0.944653 Nd\n0.540007 0.540007 0.145315 O\n0.459993 0.459993 0.854685 O\n0.215048 0.215048 0.162066 S\n0.636399 0.636399 0.471289 S\n0.363601 0.363601 0.528711 S\n0.784952 0.784952 0.837934 S\n0.052008 0.052008 0.268986 Y\n0.947992 0.947992 0.731014 Y\n",
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{
"id": "oqmd-1558336",
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"structure_string": "Nd2 Ho2 Tm2 S4 N2 O2\n1.0\n7.560154 -1.915341 0.000000\n7.560154 1.915341 0.000000\n-1.861234 0.000000 9.566181\nHo N Nd O S Tm\n2 2 2 2 4 2\ndirect\n0.390551 0.390551 0.054331 Ho\n0.609449 0.609449 0.945669 Ho\n0.908887 0.908887 0.189596 N\n0.091113 0.091113 0.810404 N\n0.807895 0.807895 0.331994 Nd\n0.192105 0.192105 0.668006 Nd\n0.541726 0.541726 0.135535 O\n0.458274 0.458274 0.864465 O\n0.215241 0.215241 0.145692 S\n0.628944 0.628944 0.457326 S\n0.371056 0.371056 0.542674 S\n0.784759 0.784759 0.854308 S\n0.055590 0.055590 0.252448 Tm\n0.944410 0.944410 0.747552 Tm\n",
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{
"id": "oqmd-1558340",
"created_at": "2022-09-04T15:55:42.492189Z",
"updated_at": "2022-09-04T15:55:42.492211Z",
"structure_string": "Nd2 Ho2 Tm2 S4 N2 O2\n1.0\n7.559827 -1.930714 0.000000\n7.559827 1.930714 0.000000\n-1.150841 0.000000 9.346432\nHo N Nd O S Tm\n2 2 2 2 4 2\ndirect\n0.795237 0.795237 0.320866 Ho\n0.204763 0.204763 0.679134 Ho\n0.897760 0.897760 0.183551 N\n0.102240 0.102240 0.816449 N\n0.046321 0.046321 0.275266 Nd\n0.953679 0.953679 0.724734 Nd\n0.536227 0.536227 0.138062 O\n0.463773 0.463773 0.861938 O\n0.212876 0.212876 0.149700 S\n0.635094 0.635094 0.487112 S\n0.364906 0.364906 0.512888 S\n0.787124 0.787124 0.850300 S\n0.389436 0.389436 0.052830 Tm\n0.610564 0.610564 0.947170 Tm\n",
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],
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"formula_full": "Nd2 Ho2 Tm2 S4 N2 O2",
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},
{
"id": "oqmd-1558348",
"created_at": "2022-09-04T15:55:42.771142Z",
"updated_at": "2022-09-04T15:55:42.771165Z",
"structure_string": "Nd2 Ho2 Tm2 S4 N2 O2\n1.0\n7.619600 -1.912402 0.000000\n7.619600 1.912402 0.000000\n-1.741688 0.000000 9.477124\nHo N Nd O S Tm\n2 2 2 2 4 2\ndirect\n0.805307 0.805307 0.336024 Ho\n0.194693 0.194693 0.663976 Ho\n0.907058 0.907058 0.207626 N\n0.092942 0.092942 0.792374 N\n0.386196 0.386196 0.056151 Nd\n0.613804 0.613804 0.943849 Nd\n0.541398 0.541398 0.146255 O\n0.458602 0.458602 0.853745 O\n0.215599 0.215599 0.162725 S\n0.635285 0.635285 0.466490 S\n0.364715 0.364715 0.533510 S\n0.784401 0.784401 0.837275 S\n0.053488 0.053488 0.265747 Tm\n0.946512 0.946512 0.734253 Tm\n",
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"elements": [
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],
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},
{
"id": "oqmd-1558344",
"created_at": "2022-09-04T15:55:43.579377Z",
"updated_at": "2022-09-04T15:55:43.579404Z",
"structure_string": "Nd2 Ho2 Tm2 S4 N2 O2\n1.0\n7.563718 -1.930645 0.000000\n7.563718 1.930645 0.000000\n-1.119337 0.000000 9.327318\nHo N Nd O S Tm\n2 2 2 2 4 2\ndirect\n0.611862 0.611862 0.446741 Ho\n0.388138 0.388138 0.553259 Ho\n0.103148 0.103148 0.313141 N\n0.896852 0.896852 0.686859 N\n0.954688 0.954688 0.222810 Nd\n0.045312 0.045312 0.777190 Nd\n0.464079 0.464079 0.359735 O\n0.535921 0.535921 0.640265 O\n0.363302 0.363302 0.012075 S\n0.786941 0.786941 0.345648 S\n0.213059 0.213059 0.654352 S\n0.636698 0.636698 0.987925 S\n0.205279 0.205279 0.177459 Tm\n0.794721 0.794721 0.822541 Tm\n",
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"density": 6.9764545415315125,
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"formula_full": "Nd2 Ho2 Tm2 S4 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558346",
"created_at": "2022-09-04T15:55:41.859247Z",
"updated_at": "2022-09-04T15:55:41.859263Z",
"structure_string": "Nd2 Ho2 Tm2 S4 N2 O2\n1.0\n7.625813 -1.913839 0.000000\n7.625813 1.913839 0.000000\n-1.673306 0.000000 9.445638\nHo N Nd O S Tm\n2 2 2 2 4 2\ndirect\n0.052645 0.052645 0.268963 Ho\n0.947355 0.947355 0.731037 Ho\n0.905410 0.905410 0.207737 N\n0.094590 0.094590 0.792263 N\n0.385815 0.385815 0.056275 Nd\n0.614185 0.614185 0.943725 Nd\n0.540763 0.540763 0.146253 O\n0.459237 0.459237 0.853747 O\n0.215818 0.215818 0.163880 S\n0.637510 0.637510 0.470616 S\n0.362490 0.362490 0.529384 S\n0.784182 0.784182 0.836120 S\n0.803670 0.803670 0.334558 Tm\n0.196330 0.196330 0.665442 Tm\n",
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},
{
"id": "oqmd-1558333",
"created_at": "2022-09-04T15:55:41.837539Z",
"updated_at": "2022-09-04T15:55:41.837561Z",
"structure_string": "Nd2 Ho2 Tm2 S4 N2 O2\n1.0\n7.557848 -1.921097 0.000000\n7.557848 1.921097 0.000000\n-1.716766 0.000000 9.514669\nHo N Nd O S Tm\n2 2 2 2 4 2\ndirect\n0.945277 0.945277 0.245295 Ho\n0.054723 0.054723 0.754705 Ho\n0.092476 0.092476 0.314497 N\n0.907524 0.907524 0.685503 N\n0.194416 0.194416 0.171007 Nd\n0.805584 0.805584 0.828993 Nd\n0.458859 0.458859 0.365464 O\n0.541141 0.541141 0.634536 O\n0.371131 0.371131 0.038644 S\n0.785244 0.785244 0.357528 S\n0.214756 0.214756 0.642472 S\n0.628869 0.628869 0.961356 S\n0.608713 0.608713 0.446373 Tm\n0.391287 0.391287 0.553627 Tm\n",
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],
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},
{
"id": "oqmd-1557969",
"created_at": "2022-09-04T15:55:38.868681Z",
"updated_at": "2022-09-04T15:55:38.868694Z",
"structure_string": "Tb2 Nd2 Ho2 S4 N2 O2\n1.0\n7.646616 -1.928243 0.000000\n7.646616 1.928243 0.000000\n-1.681444 0.000000 9.528863\nHo N Nd O S Tb\n2 2 2 2 4 2\ndirect\n0.948027 0.948027 0.233774 Ho\n0.051973 0.051973 0.766226 Ho\n0.094263 0.094263 0.296163 N\n0.905737 0.905737 0.703837 N\n0.613776 0.613776 0.444955 Nd\n0.386224 0.386224 0.555045 Nd\n0.459933 0.459933 0.354583 O\n0.540067 0.540067 0.645417 O\n0.365955 0.365955 0.032215 S\n0.785398 0.785398 0.338451 S\n0.214602 0.214602 0.661549 S\n0.634045 0.634045 0.967785 S\n0.195977 0.195977 0.164896 Tb\n0.804023 0.804023 0.835104 Tb\n",
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],
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"formula_reduced": "TbNdHoS2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1557876",
"created_at": "2022-09-04T15:55:38.601289Z",
"updated_at": "2022-09-04T15:55:38.601304Z",
"structure_string": "Tb2 Nd2 Ho2 S4 N2 O2\n1.0\n7.609581 -1.940972 0.000000\n7.609581 1.940972 0.000000\n-1.245997 0.000000 9.436996\nHo N Nd O S Tb\n2 2 2 2 4 2\ndirect\n0.388609 0.388609 0.052533 Ho\n0.611391 0.611391 0.947467 Ho\n0.897679 0.897679 0.184972 N\n0.102321 0.102321 0.815028 N\n0.046627 0.046627 0.273452 Nd\n0.953373 0.953373 0.726548 Nd\n0.535930 0.535930 0.138456 O\n0.464070 0.464070 0.861544 O\n0.212945 0.212945 0.150846 S\n0.633744 0.633744 0.483874 S\n0.366256 0.366256 0.516126 S\n0.787055 0.787055 0.849154 S\n0.795998 0.795998 0.323147 Tb\n0.204002 0.204002 0.676853 Tb\n",
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},
{
"id": "oqmd-1557971",
"created_at": "2022-09-04T15:55:38.893215Z",
"updated_at": "2022-09-04T15:55:38.893247Z",
"structure_string": "Tb2 Nd2 Ho2 S4 N2 O2\n1.0\n7.601791 -1.929114 0.000000\n7.601791 1.929114 0.000000\n-1.754324 0.000000 9.579894\nHo N Nd O S Tb\n2 2 2 2 4 2\ndirect\n0.052800 0.052800 0.256208 Ho\n0.947200 0.947200 0.743792 Ho\n0.906573 0.906573 0.190659 N\n0.093427 0.093427 0.809341 N\n0.805214 0.805214 0.331224 Nd\n0.194786 0.194786 0.668776 Nd\n0.540025 0.540025 0.137107 O\n0.459975 0.459975 0.862893 O\n0.213969 0.213969 0.147221 S\n0.628722 0.628722 0.462298 S\n0.371278 0.371278 0.537702 S\n0.786031 0.786031 0.852779 S\n0.388933 0.388933 0.052754 Tb\n0.611067 0.611067 0.947246 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.645558774162322,
"density_atomic": 0.04982685986023599,
"volume": 280.97295393026786,
"volume_molar": 12.086133416579058,
"formula_full": "Tb2 Nd2 Ho2 S4 N2 O2",
"formula_reduced": "TbNdHoS2NO",
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"spacegroup": 12
},
{
"id": "oqmd-1557894",
"created_at": "2022-09-04T15:55:41.068019Z",
"updated_at": "2022-09-04T15:55:41.068046Z",
"structure_string": "Tb2 Nd2 Ho2 S4 N2 O2\n1.0\n7.656886 -1.929875 0.000000\n7.656886 1.929875 0.000000\n-1.621165 0.000000 9.499913\nHo N Nd O S Tb\n2 2 2 2 4 2\ndirect\n0.802776 0.802776 0.333038 Ho\n0.197224 0.197224 0.666962 Ho\n0.904117 0.904117 0.203759 N\n0.095883 0.095883 0.796241 N\n0.385892 0.385892 0.054836 Nd\n0.614108 0.614108 0.945164 Nd\n0.539732 0.539732 0.145666 O\n0.460268 0.460268 0.854334 O\n0.214923 0.214923 0.162273 S\n0.636332 0.636332 0.472483 S\n0.363668 0.363668 0.527517 S\n0.785077 0.785077 0.837727 S\n0.051565 0.051565 0.269516 Tb\n0.948435 0.948435 0.730484 Tb\n",
"nsites": 14,
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"elements": [
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],
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"volume": 280.75725334683074,
"volume_molar": 12.076854993182826,
"formula_full": "Tb2 Nd2 Ho2 S4 N2 O2",
"formula_reduced": "TbNdHoS2NO",
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"formation_energy": -2.424813771749853,
"spacegroup": 12
},
{
"id": "oqmd-1557960",
"created_at": "2022-09-04T15:55:40.558771Z",
"updated_at": "2022-09-04T15:55:40.558790Z",
"structure_string": "Tb2 Nd2 Ho2 S4 N2 O2\n1.0\n7.634576 -1.941524 0.000000\n7.634576 1.941524 0.000000\n-1.310871 0.000000 9.430049\nHo N Nd O S Tb\n2 2 2 2 4 2\ndirect\n0.795637 0.795637 0.321368 Ho\n0.204363 0.204363 0.678632 Ho\n0.897810 0.897810 0.189670 N\n0.102190 0.102190 0.810330 N\n0.046874 0.046874 0.277328 Nd\n0.953126 0.953126 0.722672 Nd\n0.535896 0.535896 0.141261 O\n0.464104 0.464104 0.858739 O\n0.212340 0.212340 0.152054 S\n0.636128 0.636128 0.486508 S\n0.363872 0.363872 0.513492 S\n0.787660 0.787660 0.847946 S\n0.388270 0.388270 0.052821 Tb\n0.611730 0.611730 0.947179 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.67919909847114,
"density_atomic": 0.050079087217174786,
"volume": 279.55781101374896,
"volume_molar": 12.025260632016247,
"formula_full": "Tb2 Nd2 Ho2 S4 N2 O2",
"formula_reduced": "TbNdHoS2NO",
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}
]
}