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{
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{
"id": "oqmd-1557791",
"created_at": "2022-09-04T15:55:40.267138Z",
"updated_at": "2022-09-04T15:55:40.267169Z",
"structure_string": "Nd2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.799089 -1.960911 0.000000\n7.799089 1.960911 0.000000\n-1.187032 0.000000 9.498998\nEr Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.394679 0.394679 0.057249 Er\n0.605321 0.605321 0.942751 Er\n0.802038 0.802038 0.326954 Gd\n0.197962 0.197962 0.673046 Gd\n0.902830 0.902830 0.187710 N\n0.097170 0.097170 0.812290 N\n0.048348 0.048348 0.272021 Nd\n0.951652 0.951652 0.727979 Nd\n0.536552 0.536552 0.136991 O\n0.463448 0.463448 0.863009 O\n0.633971 0.633971 0.480353 S\n0.366029 0.366029 0.519647 S\n0.213877 0.213877 0.145220 Se\n0.786123 0.786123 0.854780 Se\n",
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{
"id": "oqmd-1557757",
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"updated_at": "2022-09-04T15:55:40.652571Z",
"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.595698 -1.949641 0.000000\n7.595698 1.949641 0.000000\n-1.658613 0.000000 9.719734\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.389732 0.389732 0.052117 Dy\n0.610268 0.610268 0.947883 Dy\n0.051621 0.051621 0.248529 Er\n0.948379 0.948379 0.751471 Er\n0.906226 0.906226 0.182845 N\n0.093774 0.093774 0.817155 N\n0.803730 0.803730 0.323277 Nd\n0.196270 0.196270 0.676723 Nd\n0.540149 0.540149 0.135092 O\n0.459851 0.459851 0.864908 O\n0.213720 0.213720 0.144194 S\n0.786280 0.786280 0.855806 S\n0.624427 0.624427 0.462058 Se\n0.375573 0.375573 0.537942 Se\n",
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"elements": [
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"formula_full": "Nd2 Dy2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557759",
"created_at": "2022-09-04T15:55:40.285607Z",
"updated_at": "2022-09-04T15:55:40.285637Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.566283 -1.943002 0.000000\n7.566283 1.943002 0.000000\n-1.283749 0.000000 9.516799\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.389369 0.389369 0.052007 Er\n0.610631 0.610631 0.947993 Er\n0.046884 0.046884 0.260710 Gd\n0.953116 0.953116 0.739290 Gd\n0.900625 0.900625 0.180930 N\n0.099375 0.099375 0.819070 N\n0.537557 0.537557 0.137106 O\n0.462443 0.462443 0.862894 O\n0.212737 0.212737 0.147372 S\n0.787263 0.787263 0.852628 S\n0.628384 0.628384 0.478768 Se\n0.371616 0.371616 0.521232 Se\n0.797343 0.797343 0.316985 Tb\n0.202657 0.202657 0.683015 Tb\n",
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"elements": [
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"density_atomic": 0.0500323975126692,
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"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557769",
"created_at": "2022-09-04T15:55:40.802103Z",
"updated_at": "2022-09-04T15:55:40.802124Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.582723 -1.946767 0.000000\n7.582723 1.946767 0.000000\n-1.671490 0.000000 9.736686\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.051881 0.051881 0.247995 Er\n0.948119 0.948119 0.752005 Er\n0.390478 0.390478 0.052361 Ho\n0.609522 0.609522 0.947639 Ho\n0.906374 0.906374 0.181471 N\n0.093626 0.093626 0.818529 N\n0.803771 0.803771 0.322251 Nd\n0.196229 0.196229 0.677749 Nd\n0.540013 0.540013 0.133776 O\n0.459987 0.459987 0.866224 O\n0.213759 0.213759 0.143502 S\n0.786241 0.786241 0.856498 S\n0.624541 0.624541 0.461992 Se\n0.375459 0.375459 0.538008 Se\n",
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},
{
"id": "oqmd-1558440",
"created_at": "2022-09-04T15:55:40.784656Z",
"updated_at": "2022-09-04T15:55:40.784673Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.734731 -1.927972 0.000000\n7.734731 1.927972 0.000000\n-1.372718 0.000000 9.434645\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.194787 0.194787 0.168411 Dy\n0.805213 0.805213 0.831589 Dy\n0.950294 0.950294 0.232201 Gd\n0.049706 0.049706 0.767799 Gd\n0.606517 0.606517 0.441514 Ho\n0.393483 0.393483 0.558486 Ho\n0.095182 0.095182 0.305644 N\n0.904818 0.904818 0.694356 N\n0.462038 0.462038 0.360721 O\n0.537962 0.537962 0.639279 O\n0.366450 0.366450 0.026520 S\n0.633550 0.633550 0.973480 S\n0.785664 0.785664 0.350792 Se\n0.214336 0.214336 0.649208 Se\n",
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"elements": [
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"volume_molar": 12.103873120371155,
"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
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},
{
"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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"elements": [
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],
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"density": 6.562976124838782,
"density_atomic": 0.04989885169035825,
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"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557903",
"created_at": "2022-09-04T15:55:40.464503Z",
"updated_at": "2022-09-04T15:55:40.464521Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.709667 -1.919272 0.000000\n7.709667 1.919272 0.000000\n-1.556461 0.000000 9.458708\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.606626 0.606626 0.440684 Dy\n0.393374 0.393374 0.559316 Dy\n0.947650 0.947650 0.237198 Ho\n0.052350 0.052350 0.762802 Ho\n0.091989 0.091989 0.302068 N\n0.908011 0.908011 0.697932 N\n0.460122 0.460122 0.360884 O\n0.539878 0.539878 0.639116 O\n0.367621 0.367621 0.033611 S\n0.632379 0.632379 0.966389 S\n0.784460 0.784460 0.350096 Se\n0.215540 0.215540 0.649904 Se\n0.191227 0.191227 0.164862 Tb\n0.808773 0.808773 0.835138 Tb\n",
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"elements": [
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557735",
"created_at": "2022-09-04T15:55:40.166518Z",
"updated_at": "2022-09-04T15:55:40.166542Z",
"structure_string": "Gd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.704728 -1.917181 0.000000\n7.704728 1.917181 0.000000\n-1.574974 0.000000 9.461760\nEr Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.052627 0.052627 0.261062 Er\n0.947373 0.947373 0.738938 Er\n0.808981 0.808981 0.335119 Gd\n0.191019 0.191019 0.664881 Gd\n0.393905 0.393905 0.059174 Ho\n0.606095 0.606095 0.940826 Ho\n0.908534 0.908534 0.196481 N\n0.091466 0.091466 0.803519 N\n0.540004 0.540004 0.138716 O\n0.459996 0.459996 0.861284 O\n0.631477 0.631477 0.464094 S\n0.368523 0.368523 0.535906 S\n0.215114 0.215114 0.147855 Se\n0.784886 0.784886 0.852145 Se\n",
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},
{
"id": "oqmd-1557795",
"created_at": "2022-09-04T15:55:40.456328Z",
"updated_at": "2022-09-04T15:55:40.456342Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.694287 -1.908765 0.000000\n7.694287 1.908765 0.000000\n-1.544540 0.000000 9.406894\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.393001 0.393001 0.059892 Dy\n0.606999 0.606999 0.940108 Dy\n0.051968 0.051968 0.264449 Er\n0.948032 0.948032 0.735551 Er\n0.808261 0.808261 0.335276 Ho\n0.191739 0.191739 0.664724 Ho\n0.907719 0.907719 0.200415 N\n0.092281 0.092281 0.799585 N\n0.539809 0.539809 0.140540 O\n0.460191 0.460191 0.859460 O\n0.633737 0.633737 0.467227 S\n0.366263 0.366263 0.532773 S\n0.215233 0.215233 0.151379 Se\n0.784767 0.784767 0.848621 Se\n",
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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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"elements": [
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"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557785",
"created_at": "2022-09-04T15:55:40.167095Z",
"updated_at": "2022-09-04T15:55:40.167117Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.727247 -1.926905 0.000000\n7.727247 1.926905 0.000000\n-1.465541 0.000000 9.466149\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.605633 0.605633 0.441260 Er\n0.394367 0.394367 0.558740 Er\n0.193346 0.193346 0.167793 Gd\n0.806654 0.806654 0.832207 Gd\n0.093353 0.093353 0.306382 N\n0.906647 0.906647 0.693618 N\n0.461047 0.461047 0.362340 O\n0.538953 0.538953 0.637660 O\n0.367290 0.367290 0.031355 S\n0.632710 0.632710 0.968645 S\n0.785286 0.785286 0.354052 Se\n0.214714 0.214714 0.645948 Se\n0.948436 0.948436 0.236055 Tb\n0.051564 0.051564 0.763945 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbGdErSeSNO",
"formula_anonymous": "ABCDEFG",
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},
{
"id": "oqmd-1557800",
"created_at": "2022-09-04T15:55:40.120860Z",
"updated_at": "2022-09-04T15:55:40.120891Z",
"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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"elements": [
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],
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"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
}
]
}