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{
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{
"id": "oqmd-1557242",
"created_at": "2022-09-04T15:55:47.959485Z",
"updated_at": "2022-09-04T15:55:47.959509Z",
"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.828197 -1.940878 0.000000\n7.828197 1.940878 0.000000\n-1.580570 0.000000 9.567176\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.807934 0.807934 0.339087 Ho\n0.192066 0.192066 0.660913 Ho\n0.906520 0.906520 0.208297 N\n0.093480 0.093480 0.791703 N\n0.389850 0.389850 0.058860 Nd\n0.610150 0.610150 0.941140 Nd\n0.539273 0.539273 0.145662 O\n0.460727 0.460727 0.854338 O\n0.635345 0.635345 0.469033 S\n0.364655 0.364655 0.530967 S\n0.215068 0.215068 0.160618 Se\n0.784932 0.784932 0.839382 Se\n0.050623 0.050623 0.269690 Y\n0.949377 0.949377 0.730310 Y\n",
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{
"id": "oqmd-1558070",
"created_at": "2022-09-04T15:55:42.454330Z",
"updated_at": "2022-09-04T15:55:42.454346Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.822496 -1.951388 0.000000\n7.822496 1.951388 0.000000\n-1.739343 0.000000 9.711447\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.945114 0.945114 0.243613 Dy\n0.054886 0.054886 0.756387 Dy\n0.606057 0.606057 0.441856 Gd\n0.393943 0.393943 0.558144 Gd\n0.089033 0.089033 0.304784 N\n0.910967 0.910967 0.695216 N\n0.187767 0.187767 0.162815 Nd\n0.812233 0.812233 0.837185 Nd\n0.459081 0.459081 0.363125 O\n0.540919 0.540919 0.636875 O\n0.369136 0.369136 0.042235 S\n0.630864 0.630864 0.957765 S\n0.783336 0.783336 0.353181 Se\n0.216664 0.216664 0.646819 Se\n",
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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558203",
"created_at": "2022-09-04T15:55:42.328306Z",
"updated_at": "2022-09-04T15:55:42.328326Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.601268 -1.969769 0.000000\n7.601268 1.969769 0.000000\n-0.638934 0.000000 9.487172\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.612536 0.612536 0.453146 Ho\n0.387464 0.387464 0.546854 Ho\n0.108553 0.108553 0.328478 N\n0.891447 0.891447 0.671522 N\n0.967091 0.967091 0.225539 Nd\n0.032909 0.032909 0.774461 Nd\n0.469484 0.469484 0.357787 O\n0.530516 0.530516 0.642213 O\n0.792852 0.792852 0.346895 S\n0.207148 0.207148 0.653105 S\n0.376033 0.376033 0.000588 Se\n0.623967 0.623967 0.999412 Se\n0.212687 0.212687 0.186465 Tb\n0.787313 0.787313 0.813535 Tb\n",
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"elements": [
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"volume_molar": 12.220556402454255,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557479",
"created_at": "2022-09-04T15:55:48.556919Z",
"updated_at": "2022-09-04T15:55:48.556939Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.582174 -1.939691 0.000000\n7.582174 1.939691 0.000000\n-1.391292 0.000000 9.554292\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.799417 0.799417 0.319561 Er\n0.200583 0.200583 0.680439 Er\n0.387634 0.387634 0.052958 Gd\n0.612366 0.612366 0.947042 Gd\n0.901400 0.901400 0.189111 N\n0.098600 0.098600 0.810889 N\n0.538098 0.538098 0.139654 O\n0.461902 0.461902 0.860346 O\n0.214129 0.214129 0.154344 S\n0.785871 0.785871 0.845656 S\n0.631734 0.631734 0.477045 Se\n0.368266 0.368266 0.522955 Se\n0.047793 0.047793 0.261755 Tb\n0.952207 0.952207 0.738245 Tb\n",
"nsites": 14,
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"elements": [
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},
{
"id": "oqmd-1557603",
"created_at": "2022-09-04T15:55:47.904810Z",
"updated_at": "2022-09-04T15:55:47.904838Z",
"structure_string": "Dy2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.531424 -1.926611 0.000000\n7.531424 1.926611 0.000000\n-1.385511 0.000000 9.491461\nDy Er N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.951355 0.951355 0.242402 Dy\n0.048645 0.048645 0.757598 Dy\n0.610706 0.610706 0.446832 Er\n0.389294 0.389294 0.553168 Er\n0.097455 0.097455 0.316226 N\n0.902545 0.902545 0.683774 N\n0.461088 0.461088 0.363421 O\n0.538912 0.538912 0.636579 O\n0.786281 0.786281 0.352167 S\n0.213719 0.213719 0.647833 S\n0.370809 0.370809 0.025896 Se\n0.629191 0.629191 0.974104 Se\n0.200907 0.200907 0.180917 Y\n0.799093 0.799093 0.819083 Y\n",
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"formula_full": "Dy2 Y2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557394",
"created_at": "2022-09-04T15:55:48.522918Z",
"updated_at": "2022-09-04T15:55:48.522946Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.517545 -1.921483 0.000000\n7.517545 1.921483 0.000000\n-1.487011 0.000000 9.490741\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.389135 0.389135 0.053188 Er\n0.610865 0.610865 0.946812 Er\n0.049975 0.049975 0.255674 Ho\n0.950025 0.950025 0.744326 Ho\n0.903546 0.903546 0.184713 N\n0.096454 0.096454 0.815287 N\n0.539511 0.539511 0.136671 O\n0.460489 0.460489 0.863329 O\n0.214540 0.214540 0.147128 S\n0.785460 0.785460 0.852872 S\n0.629334 0.629334 0.471948 Se\n0.370666 0.370666 0.528052 Se\n0.800939 0.800939 0.320042 Y\n0.199061 0.199061 0.679958 Y\n",
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"elements": [
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"density": 6.80879524997891,
"density_atomic": 0.05106053198846877,
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"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557511",
"created_at": "2022-09-04T15:55:49.105984Z",
"updated_at": "2022-09-04T15:55:49.106007Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.781491 -1.937233 0.000000\n7.781491 1.937233 0.000000\n-1.732953 0.000000 9.653516\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.945865 0.945865 0.243994 Er\n0.054135 0.054135 0.756006 Er\n0.089313 0.089313 0.304815 N\n0.910687 0.910687 0.695185 N\n0.188244 0.188244 0.162018 Nd\n0.811756 0.811756 0.837982 Nd\n0.459609 0.459609 0.363025 O\n0.540391 0.540391 0.636975 O\n0.371292 0.371292 0.043311 S\n0.628708 0.628708 0.956689 S\n0.784598 0.784598 0.353733 Se\n0.215402 0.215402 0.646267 Se\n0.606250 0.606250 0.442139 Tb\n0.393750 0.393750 0.557861 Tb\n",
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},
{
"id": "oqmd-1557392",
"created_at": "2022-09-04T15:55:48.383757Z",
"updated_at": "2022-09-04T15:55:48.383779Z",
"structure_string": "Tb2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.725526 -1.927019 0.000000\n7.725526 1.927019 0.000000\n-1.439089 0.000000 9.444320\nDy N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.607160 0.607160 0.441328 Dy\n0.392840 0.392840 0.558672 Dy\n0.094351 0.094351 0.303149 N\n0.905649 0.905649 0.696851 N\n0.461821 0.461821 0.360232 O\n0.538179 0.538179 0.639768 O\n0.365501 0.365501 0.030238 S\n0.634499 0.634499 0.969762 S\n0.785644 0.785644 0.350509 Se\n0.214356 0.214356 0.649491 Se\n0.949699 0.949699 0.233568 Tb\n0.050301 0.050301 0.766432 Tb\n0.194541 0.194541 0.166659 Y\n0.805459 0.805459 0.833341 Y\n",
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},
{
"id": "oqmd-1557376",
"created_at": "2022-09-04T15:55:47.771170Z",
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"structure_string": "Tb2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.577720 -1.939641 0.000000\n7.577720 1.939641 0.000000\n-1.432594 0.000000 9.539716\nDy N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.799898 0.799898 0.320070 Dy\n0.200102 0.200102 0.679930 Dy\n0.902077 0.902077 0.186836 N\n0.097923 0.097923 0.813164 N\n0.538106 0.538106 0.138729 O\n0.461894 0.461894 0.861271 O\n0.213753 0.213753 0.152253 S\n0.786247 0.786247 0.847747 S\n0.629225 0.629225 0.474754 Se\n0.370775 0.370775 0.525246 Se\n0.388329 0.388329 0.052362 Tb\n0.611671 0.611671 0.947638 Tb\n0.048323 0.048323 0.259834 Y\n0.951677 0.951677 0.740166 Y\n",
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{
"id": "oqmd-1558124",
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"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.876457 -1.954072 0.000000\n7.876457 1.954072 0.000000\n-1.577291 0.000000 9.646629\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.949102 0.949102 0.232192 Gd\n0.050898 0.050898 0.767808 Gd\n0.093450 0.093450 0.294652 N\n0.906550 0.906550 0.705348 N\n0.609986 0.609986 0.441487 Nd\n0.390014 0.390014 0.558513 Nd\n0.461161 0.461161 0.355874 O\n0.538839 0.538839 0.644126 O\n0.364842 0.364842 0.031294 S\n0.635158 0.635158 0.968706 S\n0.784537 0.784537 0.341566 Se\n0.215463 0.215463 0.658434 Se\n0.191783 0.191783 0.161705 Tb\n0.808217 0.808217 0.838295 Tb\n",
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},
{
"id": "oqmd-1557362",
"created_at": "2022-09-04T15:55:47.651838Z",
"updated_at": "2022-09-04T15:55:47.651850Z",
"structure_string": "Nd2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.686046 -1.967616 0.000000\n7.686046 1.967616 0.000000\n-1.378964 0.000000 9.679313\nGd N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.955043 0.955043 0.235637 Gd\n0.044957 0.044957 0.764363 Gd\n0.100689 0.100689 0.307657 N\n0.899311 0.899311 0.692343 N\n0.615552 0.615552 0.449372 Nd\n0.384448 0.384448 0.550628 Nd\n0.463607 0.463607 0.355618 O\n0.536393 0.536393 0.644382 O\n0.788053 0.788053 0.340313 S\n0.211947 0.211947 0.659687 S\n0.370214 0.370214 0.023111 Se\n0.629786 0.629786 0.976889 Se\n0.202384 0.202384 0.175566 Y\n0.797616 0.797616 0.824434 Y\n",
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{
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"structure_string": "Nd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.632988 -1.963156 0.000000\n7.632988 1.963156 0.000000\n-1.586892 0.000000 9.723175\nDy N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.610097 0.610097 0.448326 Dy\n0.389903 0.389903 0.551674 Dy\n0.095261 0.095261 0.318651 N\n0.904739 0.904739 0.681349 N\n0.198122 0.198122 0.178723 Nd\n0.801878 0.801878 0.821277 Nd\n0.460684 0.460684 0.365037 O\n0.539316 0.539316 0.634963 O\n0.786582 0.786582 0.356207 S\n0.213418 0.213418 0.643793 S\n0.374780 0.374780 0.033863 Se\n0.625220 0.625220 0.966137 Se\n0.949247 0.949247 0.248272 Y\n0.050753 0.050753 0.751728 Y\n",
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}
]
}