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{
"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",
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{
"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",
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"elements": [
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"volume_molar": 12.594774223827878,
"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"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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"elements": [
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"density_atomic": 0.049133692495020094,
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"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558108",
"created_at": "2022-09-04T15:55:42.084706Z",
"updated_at": "2022-09-04T15:55:42.084734Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.660066 -1.965424 0.000000\n7.660066 1.965424 0.000000\n-1.631870 0.000000 9.788878\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.050637 0.050637 0.250198 Dy\n0.949363 0.949363 0.749802 Dy\n0.388644 0.388644 0.051523 Gd\n0.611356 0.611356 0.948477 Gd\n0.905131 0.905131 0.183517 N\n0.094869 0.094869 0.816483 N\n0.803519 0.803519 0.323807 Nd\n0.196481 0.196481 0.676193 Nd\n0.539301 0.539301 0.135718 O\n0.460699 0.460699 0.864282 O\n0.213896 0.213896 0.147720 S\n0.786104 0.786104 0.852280 S\n0.625513 0.625513 0.463728 Se\n0.374487 0.374487 0.536272 Se\n",
"nsites": 14,
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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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},
{
"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",
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"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1558180",
"created_at": "2022-09-04T15:55:42.286803Z",
"updated_at": "2022-09-04T15:55:42.286828Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.868192 -1.951209 0.000000\n7.868192 1.951209 0.000000\n-1.561001 0.000000 9.617008\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.807894 0.807894 0.337645 Dy\n0.192106 0.192106 0.662355 Dy\n0.050352 0.050352 0.269077 Gd\n0.949648 0.949648 0.730923 Gd\n0.906036 0.906036 0.205397 N\n0.093964 0.093964 0.794603 N\n0.389784 0.389784 0.058183 Nd\n0.610216 0.610216 0.941817 Nd\n0.538662 0.538662 0.144945 O\n0.461338 0.461338 0.855055 O\n0.635634 0.635634 0.470506 S\n0.364366 0.364366 0.529494 S\n0.215245 0.215245 0.159152 Se\n0.784755 0.784755 0.840848 Se\n",
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{
"id": "oqmd-1557140",
"created_at": "2022-09-04T15:55:47.626317Z",
"updated_at": "2022-09-04T15:55:47.626341Z",
"structure_string": "Nd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.833700 -1.944789 0.000000\n7.833700 1.944789 0.000000\n-1.598605 0.000000 9.594028\nDy N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.808341 0.808341 0.339577 Dy\n0.191659 0.191659 0.660423 Dy\n0.906910 0.906910 0.207712 N\n0.093090 0.093090 0.792288 N\n0.389839 0.389839 0.058758 Nd\n0.610161 0.610161 0.941242 Nd\n0.539441 0.539441 0.144996 O\n0.460559 0.460559 0.855004 O\n0.634616 0.634616 0.467776 S\n0.365384 0.365384 0.532224 S\n0.215197 0.215197 0.159805 Se\n0.784803 0.784803 0.840195 Se\n0.050955 0.050955 0.268430 Y\n0.949045 0.949045 0.731570 Y\n",
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},
{
"id": "oqmd-1557559",
"created_at": "2022-09-04T15:55:46.761705Z",
"updated_at": "2022-09-04T15:55:46.761722Z",
"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.652004 -1.949714 0.000000\n7.652004 1.949714 0.000000\n-1.514071 0.000000 9.635039\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.952390 0.952390 0.236915 Dy\n0.047610 0.047610 0.763085 Dy\n0.199332 0.199332 0.174765 Er\n0.800668 0.800668 0.825235 Er\n0.098405 0.098405 0.303879 N\n0.901595 0.901595 0.696121 N\n0.615243 0.615243 0.448054 Nd\n0.384757 0.384757 0.551946 Nd\n0.461602 0.461602 0.355413 O\n0.538398 0.538398 0.644587 O\n0.786077 0.786077 0.338305 S\n0.213923 0.213923 0.661695 S\n0.368530 0.368530 0.025720 Se\n0.631470 0.631470 0.974280 Se\n",
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{
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"created_at": "2022-09-04T15:55:40.120860Z",
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"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.750026 -1.933228 0.000000\n7.750026 1.933228 0.000000\n-1.726737 0.000000 9.622929\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.055413 0.055413 0.254631 Er\n0.944587 0.944587 0.745369 Er\n0.395070 0.395070 0.058315 Ho\n0.604930 0.604930 0.941685 Ho\n0.911497 0.911497 0.192902 N\n0.088503 0.088503 0.807098 N\n0.812256 0.812256 0.336653 Nd\n0.187744 0.187744 0.663347 Nd\n0.541323 0.541323 0.135353 O\n0.458677 0.458677 0.864647 O\n0.629263 0.629263 0.455866 S\n0.370737 0.370737 0.544134 S\n0.216266 0.216266 0.143513 Se\n0.783734 0.783734 0.856487 Se\n",
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},
{
"id": "oqmd-1557386",
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"structure_string": "Nd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.840718 -1.940057 0.000000\n7.840718 1.940057 0.000000\n-1.605546 0.000000 9.598117\nDy N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.949371 0.949371 0.232464 Dy\n0.050629 0.050629 0.767536 Dy\n0.092644 0.092644 0.292860 N\n0.907356 0.907356 0.707140 N\n0.610128 0.610128 0.441103 Nd\n0.389872 0.389872 0.558897 Nd\n0.460732 0.460732 0.354462 O\n0.539268 0.539268 0.645538 O\n0.364898 0.364898 0.032781 S\n0.635102 0.635102 0.967219 S\n0.785083 0.785083 0.340914 Se\n0.214917 0.214917 0.659086 Se\n0.191800 0.191800 0.160723 Y\n0.808200 0.808200 0.839277 Y\n",
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"formula_full": "Nd2 Dy2 Y2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557136",
"created_at": "2022-09-04T15:55:46.908868Z",
"updated_at": "2022-09-04T15:55:46.908894Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.752882 -1.932678 0.000000\n7.752882 1.932678 0.000000\n-1.478996 0.000000 9.482197\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.608128 0.608128 0.441607 Gd\n0.391872 0.391872 0.558393 Gd\n0.094137 0.094137 0.300529 N\n0.905863 0.905863 0.699471 N\n0.461675 0.461675 0.358434 O\n0.538325 0.538325 0.641566 O\n0.365190 0.365190 0.030380 S\n0.634810 0.634810 0.969620 S\n0.785632 0.785632 0.348161 Se\n0.214368 0.214368 0.651839 Se\n0.949725 0.949725 0.232750 Tb\n0.050275 0.050275 0.767250 Tb\n0.194134 0.194134 0.165317 Y\n0.805866 0.805866 0.834683 Y\n",
"nsites": 14,
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"elements": [
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],
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"volume": 284.1591510275604,
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"formula_full": "Tb2 Gd2 Y2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1558000",
"created_at": "2022-09-04T15:55:41.098341Z",
"updated_at": "2022-09-04T15:55:41.098363Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.568441 -1.932640 0.000000\n7.568441 1.932640 0.000000\n-1.460409 0.000000 9.523041\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.951358 0.951358 0.240578 Dy\n0.048642 0.048642 0.759422 Dy\n0.199622 0.199622 0.180034 Ho\n0.800378 0.800378 0.819966 Ho\n0.098097 0.098097 0.312446 N\n0.901903 0.901903 0.687554 N\n0.461281 0.461281 0.360470 O\n0.538719 0.538719 0.639530 O\n0.785945 0.785945 0.348314 S\n0.214055 0.214055 0.651686 S\n0.369760 0.369760 0.025030 Se\n0.630240 0.630240 0.974970 Se\n0.612288 0.612288 0.447323 Tb\n0.387712 0.387712 0.552677 Tb\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
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}
]
}