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{
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"results": [
{
"id": "oqmd-1557409",
"created_at": "2022-09-04T15:55:49.628849Z",
"updated_at": "2022-09-04T15:55:49.628869Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.568288 -1.933739 0.000000\n7.568288 1.933739 0.000000\n-1.329395 0.000000 9.491964\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.797967 0.797967 0.319161 Er\n0.202033 0.202033 0.680839 Er\n0.900258 0.900258 0.186686 N\n0.099742 0.099742 0.813314 N\n0.538037 0.538037 0.139983 O\n0.461963 0.461963 0.860017 O\n0.213284 0.213284 0.152477 S\n0.786716 0.786716 0.847523 S\n0.630686 0.630686 0.478500 Se\n0.369314 0.369314 0.521500 Se\n0.046620 0.046620 0.262218 Tb\n0.953380 0.953380 0.737782 Tb\n0.387499 0.387499 0.052595 Y\n0.612501 0.612501 0.947405 Y\n",
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},
{
"id": "oqmd-1557548",
"created_at": "2022-09-04T15:55:49.615496Z",
"updated_at": "2022-09-04T15:55:49.615521Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.552587 -1.936133 0.000000\n7.552587 1.936133 0.000000\n-1.461138 0.000000 9.535722\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.610069 0.610069 0.446445 Er\n0.389931 0.389931 0.553555 Er\n0.096716 0.096716 0.316283 N\n0.903284 0.903284 0.683717 N\n0.460538 0.460538 0.364530 O\n0.539462 0.539462 0.635470 O\n0.785288 0.785288 0.353411 S\n0.214712 0.214712 0.646589 S\n0.370662 0.370662 0.027161 Se\n0.629338 0.629338 0.972839 Se\n0.199434 0.199434 0.181639 Tb\n0.800566 0.800566 0.818361 Tb\n0.949646 0.949646 0.243538 Y\n0.050354 0.050354 0.756462 Y\n",
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"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557593",
"created_at": "2022-09-04T15:55:50.231204Z",
"updated_at": "2022-09-04T15:55:50.231216Z",
"structure_string": "Gd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.541725 -1.931040 0.000000\n7.541725 1.931040 0.000000\n-1.261895 0.000000 9.456732\nEr Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.611085 0.611085 0.447851 Er\n0.388915 0.388915 0.552149 Er\n0.953994 0.953994 0.237409 Gd\n0.046006 0.046006 0.762591 Gd\n0.203109 0.203109 0.183437 Ho\n0.796891 0.796891 0.816563 Ho\n0.100319 0.100319 0.317896 N\n0.899681 0.899681 0.682104 N\n0.463110 0.463110 0.361837 O\n0.536890 0.536890 0.638163 O\n0.787250 0.787250 0.350776 S\n0.212750 0.212750 0.649224 S\n0.370113 0.370113 0.019533 Se\n0.629887 0.629887 0.980467 Se\n",
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"elements": [
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],
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"density": 7.601700751193338,
"density_atomic": 0.050827060797607064,
"volume": 275.4438242208788,
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"formula_full": "Gd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdHoErSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1557564",
"created_at": "2022-09-04T15:55:50.147384Z",
"updated_at": "2022-09-04T15:55:50.147410Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.555843 -1.927818 0.000000\n7.555843 1.927818 0.000000\n-1.550848 0.000000 9.558022\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.388712 0.388712 0.053457 Dy\n0.611288 0.611288 0.946543 Dy\n0.050439 0.050439 0.254498 Er\n0.949561 0.949561 0.745502 Er\n0.904215 0.904215 0.187418 N\n0.095785 0.095785 0.812582 N\n0.539808 0.539808 0.137580 O\n0.460192 0.460192 0.862420 O\n0.214413 0.214413 0.149087 S\n0.785587 0.785587 0.850913 S\n0.628660 0.628660 0.469332 Se\n0.371340 0.371340 0.530668 Se\n0.801971 0.801971 0.321432 Tb\n0.198029 0.198029 0.678568 Tb\n",
"nsites": 14,
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"elements": [
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{
"id": "oqmd-1557804",
"created_at": "2022-09-04T15:55:40.856627Z",
"updated_at": "2022-09-04T15:55:40.856641Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.528805 -1.925698 0.000000\n7.528805 1.925698 0.000000\n-1.396539 0.000000 9.460929\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.389803 0.389803 0.053672 Er\n0.610197 0.610197 0.946328 Er\n0.799380 0.799380 0.317578 Ho\n0.200620 0.200620 0.682422 Ho\n0.902301 0.902301 0.184559 N\n0.097699 0.097699 0.815441 N\n0.538643 0.538643 0.136788 O\n0.461357 0.461357 0.863212 O\n0.214095 0.214095 0.148886 S\n0.785905 0.785905 0.851114 S\n0.629934 0.629934 0.476056 Se\n0.370066 0.370066 0.523944 Se\n0.048910 0.048910 0.259424 Y\n0.951090 0.951090 0.740576 Y\n",
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"density": 6.805107149217439,
"density_atomic": 0.05103287417530301,
"volume": 274.3329711728288,
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"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557714",
"created_at": "2022-09-04T15:55:41.050656Z",
"updated_at": "2022-09-04T15:55:41.050679Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.716132 -1.927614 0.000000\n7.716132 1.927614 0.000000\n-1.398056 0.000000 9.431652\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.393957 0.393957 0.059113 Er\n0.606043 0.606043 0.940887 Er\n0.050997 0.050997 0.266644 Gd\n0.949003 0.949003 0.733356 Gd\n0.905631 0.905631 0.194203 N\n0.094369 0.094369 0.805797 N\n0.538514 0.538514 0.137801 O\n0.461486 0.461486 0.862199 O\n0.634963 0.634963 0.471065 S\n0.365037 0.365037 0.528935 S\n0.214957 0.214957 0.146945 Se\n0.785043 0.785043 0.853055 Se\n0.805195 0.805195 0.331531 Y\n0.194805 0.194805 0.668469 Y\n",
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"density": 6.562976124838782,
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"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558104",
"created_at": "2022-09-04T15:55:42.016277Z",
"updated_at": "2022-09-04T15:55:42.016305Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.681632 -1.960831 0.000000\n7.681632 1.960831 0.000000\n-1.505976 0.000000 9.701342\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.046963 0.046963 0.260475 Dy\n0.953037 0.953037 0.739525 Dy\n0.901774 0.901774 0.193494 N\n0.098226 0.098226 0.806506 N\n0.385286 0.385286 0.051631 Nd\n0.614714 0.614714 0.948369 Nd\n0.537803 0.537803 0.143937 O\n0.462197 0.462197 0.856063 O\n0.212837 0.212837 0.159708 S\n0.787163 0.787163 0.840292 S\n0.629187 0.629187 0.472640 Se\n0.370813 0.370813 0.527360 Se\n0.800489 0.800489 0.325286 Tb\n0.199511 0.199511 0.674714 Tb\n",
"nsites": 14,
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"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
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},
{
"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",
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"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557797",
"created_at": "2022-09-04T15:55:40.467200Z",
"updated_at": "2022-09-04T15:55:40.467227Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.711466 -1.913529 0.000000\n7.711466 1.913529 0.000000\n-1.570392 0.000000 9.462518\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.606777 0.606777 0.440384 Dy\n0.393223 0.393223 0.559616 Dy\n0.947499 0.947499 0.237695 Er\n0.052501 0.052501 0.762305 Er\n0.091736 0.091736 0.301066 N\n0.908264 0.908264 0.698934 N\n0.459805 0.459805 0.360422 O\n0.540195 0.540195 0.639578 O\n0.367842 0.367842 0.035025 S\n0.632158 0.632158 0.964975 S\n0.784738 0.784738 0.349949 Se\n0.215262 0.215262 0.650051 Se\n0.190919 0.190919 0.163842 Tb\n0.809081 0.809081 0.836158 Tb\n",
"nsites": 14,
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},
{
"id": "oqmd-1557690",
"created_at": "2022-09-04T15:55:40.486476Z",
"updated_at": "2022-09-04T15:55:40.486511Z",
"structure_string": "Nd2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.804604 -1.942151 0.000000\n7.804604 1.942151 0.000000\n-1.781976 0.000000 9.693844\nEr Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.053824 0.053824 0.255531 Er\n0.946176 0.946176 0.744469 Er\n0.393526 0.393526 0.058235 Gd\n0.606474 0.606474 0.941765 Gd\n0.910872 0.910872 0.196363 N\n0.089128 0.089128 0.803637 N\n0.812316 0.812316 0.338435 Nd\n0.187684 0.187684 0.661565 Nd\n0.540579 0.540579 0.137885 O\n0.459421 0.459421 0.862115 O\n0.628852 0.628852 0.456274 S\n0.371148 0.371148 0.543726 S\n0.215685 0.215685 0.147859 Se\n0.784315 0.784315 0.852141 Se\n",
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"elements": [
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"volume_molar": 12.641038493097984,
"formula_full": "Nd2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdGdErSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1557665",
"created_at": "2022-09-04T15:55:40.612368Z",
"updated_at": "2022-09-04T15:55:40.612380Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.775301 -1.947111 0.000000\n7.775301 1.947111 0.000000\n-1.122604 0.000000 9.424384\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.198909 0.198909 0.172696 Er\n0.801091 0.801091 0.827304 Er\n0.606612 0.606612 0.441918 Ho\n0.393388 0.393388 0.558082 Ho\n0.098730 0.098730 0.308782 N\n0.901270 0.901270 0.691218 N\n0.952771 0.952771 0.224113 Nd\n0.047229 0.047229 0.775887 Nd\n0.463661 0.463661 0.360844 O\n0.536339 0.536339 0.639156 O\n0.363178 0.363178 0.016135 S\n0.636822 0.636822 0.983865 S\n0.786093 0.786093 0.350580 Se\n0.213907 0.213907 0.649420 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.186190635798008,
"density_atomic": 0.04906108469945004,
"volume": 285.35855017809945,
"volume_molar": 12.274781116014555,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.429098908366992,
"spacegroup": 12
},
{
"id": "oqmd-1557722",
"created_at": "2022-09-04T15:55:40.375602Z",
"updated_at": "2022-09-04T15:55:40.375621Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.703437 -1.920926 0.000000\n7.703437 1.920926 0.000000\n-1.438323 0.000000 9.413993\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.805943 0.805943 0.332014 Dy\n0.194057 0.194057 0.667986 Dy\n0.393811 0.393811 0.058979 Er\n0.606189 0.606189 0.941021 Er\n0.905871 0.905871 0.194982 N\n0.094129 0.094129 0.805018 N\n0.538711 0.538711 0.138346 O\n0.461289 0.461289 0.861654 O\n0.634480 0.634480 0.470349 S\n0.365520 0.365520 0.529651 S\n0.214863 0.214863 0.147500 Se\n0.785137 0.785137 0.852500 Se\n0.051088 0.051088 0.265775 Tb\n0.948912 0.948912 0.734225 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
}
]
}