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{
"id": "oqmd-1557955",
"created_at": "2022-09-04T15:55:41.446730Z",
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"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.723774 -1.922005 0.000000\n7.723774 1.922005 0.000000\n-1.491332 0.000000 9.451524\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.948331 0.948331 0.235771 Dy\n0.051669 0.051669 0.764229 Dy\n0.606242 0.606242 0.440923 Ho\n0.393758 0.393758 0.559077 Ho\n0.092898 0.092898 0.304287 N\n0.907102 0.907102 0.695713 N\n0.460868 0.460868 0.361505 O\n0.539132 0.539132 0.638495 O\n0.367504 0.367504 0.031560 S\n0.632496 0.632496 0.968440 S\n0.785076 0.785076 0.351410 Se\n0.214924 0.214924 0.648590 Se\n0.192389 0.192389 0.166318 Tb\n0.807611 0.807611 0.833682 Tb\n",
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{
"id": "oqmd-1557808",
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"updated_at": "2022-09-04T15:55:41.496520Z",
"structure_string": "Nd2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.849663 -1.943784 0.000000\n7.849663 1.943784 0.000000\n-1.542480 0.000000 9.564696\nEr Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.192700 0.192700 0.162905 Er\n0.807300 0.807300 0.837095 Er\n0.949432 0.949432 0.228187 Gd\n0.050568 0.050568 0.771813 Gd\n0.094059 0.094059 0.292285 N\n0.905941 0.905941 0.707715 N\n0.610049 0.610049 0.441134 Nd\n0.389951 0.389951 0.558866 Nd\n0.460846 0.460846 0.353904 O\n0.539154 0.539154 0.646096 O\n0.362864 0.362864 0.027523 S\n0.637136 0.637136 0.972477 S\n0.784601 0.784601 0.339859 Se\n0.215399 0.215399 0.660141 Se\n",
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"elements": [
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"formula_full": "Nd2 Gd2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
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{
"id": "oqmd-1558088",
"created_at": "2022-09-04T15:55:41.942615Z",
"updated_at": "2022-09-04T15:55:41.942638Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.790878 -1.953766 0.000000\n7.790878 1.953766 0.000000\n-1.158142 0.000000 9.476064\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.607398 0.607398 0.443409 Dy\n0.392602 0.392602 0.556591 Dy\n0.197570 0.197570 0.171405 Ho\n0.802430 0.802430 0.828595 Ho\n0.099076 0.099076 0.309707 N\n0.900924 0.900924 0.690293 N\n0.953519 0.953519 0.225159 Nd\n0.046481 0.046481 0.774841 Nd\n0.464227 0.464227 0.360358 O\n0.535773 0.535773 0.639642 O\n0.365417 0.365417 0.016791 S\n0.634583 0.634583 0.983209 S\n0.786223 0.786223 0.347612 Se\n0.213777 0.213777 0.652388 Se\n",
"nsites": 14,
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"volume": 288.4808122209036,
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"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"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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},
{
"id": "oqmd-7074",
"created_at": "2022-09-04T15:17:58.802602Z",
"updated_at": "2022-09-04T15:17:58.802631Z",
"structure_string": "Na2 P2 H10 C4 S2 N6 O8\n1.0\n5.753301 0.185561 -0.200885\n1.595935 6.590213 -0.039425\n1.808376 0.066541 9.580472\nC H N Na O P S\n4 10 6 2 8 2 2\ndirect\n0.771383 0.006820 0.346625 C\n0.817963 0.290462 0.482152 C\n0.182037 0.709537 0.517847 C\n0.228619 0.993179 0.653375 C\n0.820266 0.332137 0.003425 H\n0.092329 0.596390 0.141257 H\n0.021320 0.909736 0.173719 H\n0.102699 0.418373 0.409206 H\n0.450563 0.859719 0.474170 H\n0.549436 0.140282 0.525829 H\n0.897303 0.581628 0.590794 H\n0.978682 0.090263 0.826280 H\n0.907671 0.403609 0.858744 H\n0.179733 0.667864 0.996575 H\n0.943411 0.033506 0.242715 N\n0.012932 0.309388 0.389846 N\n0.699497 0.149073 0.451915 N\n0.300500 0.850928 0.548085 N\n0.987067 0.690613 0.610155 N\n0.056589 0.966495 0.757284 N\n0.529506 0.692176 0.188759 Na\n0.470496 0.307824 0.811241 Na\n0.177855 0.695525 0.096962 O\n0.862238 0.415916 0.154332 O\n0.681774 0.856422 0.351156 O\n0.253710 0.611225 0.406672 O\n0.746290 0.388776 0.593327 O\n0.318225 0.143577 0.648844 O\n0.137759 0.584085 0.845668 O\n0.822146 0.304475 0.903038 O\n0.044764 0.246306 0.219367 P\n0.955236 0.753695 0.780633 P\n0.379749 0.176795 0.128555 S\n0.620252 0.823205 0.871445 S\n",
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"elements": [
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"density": 2.0241011480344477,
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"formula_full": "Na2 P2 H10 C4 S2 N6 O8",
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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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},
{
"id": "oqmd-1558150",
"created_at": "2022-09-04T15:55:42.288460Z",
"updated_at": "2022-09-04T15:55:42.288484Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.827953 -1.962572 0.000000\n7.827953 1.962572 0.000000\n-1.230632 0.000000 9.536796\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.197697 0.197697 0.170278 Dy\n0.802303 0.802303 0.829722 Dy\n0.608197 0.608197 0.443541 Gd\n0.391803 0.391803 0.556459 Gd\n0.098813 0.098813 0.306897 N\n0.901187 0.901187 0.693103 N\n0.953247 0.953247 0.225150 Nd\n0.046753 0.046753 0.774850 Nd\n0.464009 0.464009 0.358877 O\n0.535991 0.535991 0.641123 O\n0.365101 0.365101 0.018323 S\n0.634899 0.634899 0.981677 S\n0.786466 0.786466 0.347523 Se\n0.213534 0.213534 0.652477 Se\n",
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{
"id": "oqmd-1558522",
"created_at": "2022-09-04T15:55:42.421857Z",
"updated_at": "2022-09-04T15:55:42.421883Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.762913 -1.933685 0.000000\n7.762913 1.933685 0.000000\n-1.485395 0.000000 9.509119\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.393429 0.393429 0.058928 Dy\n0.606571 0.606571 0.941072 Dy\n0.807132 0.807132 0.333923 Gd\n0.192868 0.192868 0.666077 Gd\n0.906773 0.906773 0.196011 N\n0.093227 0.093227 0.803989 N\n0.539056 0.539056 0.138821 O\n0.460944 0.460944 0.861179 O\n0.632520 0.632520 0.468432 S\n0.367480 0.367480 0.531568 S\n0.215003 0.215003 0.148549 Se\n0.784997 0.784997 0.851451 Se\n0.051287 0.051287 0.264089 Tb\n0.948713 0.948713 0.735911 Tb\n",
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},
{
"id": "oqmd-1558383",
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"structure_string": "Tb2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.599480 -1.947093 0.000000\n7.599480 1.947093 0.000000\n-1.288751 0.000000 9.550822\nGd Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.953680 0.953680 0.239510 Gd\n0.046320 0.046320 0.760490 Gd\n0.610993 0.610993 0.448295 Ho\n0.389007 0.389007 0.551705 Ho\n0.099496 0.099496 0.318419 N\n0.900504 0.900504 0.681581 N\n0.463085 0.463085 0.362511 O\n0.536915 0.536915 0.637489 O\n0.787164 0.787164 0.351251 S\n0.212836 0.212836 0.648749 S\n0.371453 0.371453 0.021661 Se\n0.628547 0.628547 0.978339 Se\n0.202317 0.202317 0.182421 Tb\n0.797683 0.797683 0.817579 Tb\n",
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{
"id": "oqmd-1558409",
"created_at": "2022-09-04T15:55:42.710869Z",
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"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.572678 -1.936041 0.000000\n7.572678 1.936041 0.000000\n-1.420413 0.000000 9.567565\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.611584 0.611584 0.447956 Dy\n0.388416 0.388416 0.552044 Dy\n0.200511 0.200511 0.179131 Gd\n0.799489 0.799489 0.820869 Gd\n0.952712 0.952712 0.244039 Ho\n0.047288 0.047288 0.755961 Ho\n0.097847 0.097847 0.315538 N\n0.902153 0.902153 0.684462 N\n0.462171 0.462171 0.361807 O\n0.537829 0.537829 0.638193 O\n0.787616 0.787616 0.350407 S\n0.212384 0.212384 0.649593 S\n0.373028 0.373028 0.027951 Se\n0.626972 0.626972 0.972049 Se\n",
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},
{
"id": "oqmd-1557695",
"created_at": "2022-09-04T15:55:37.688917Z",
"updated_at": "2022-09-04T15:55:37.688942Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.556931 -1.940994 0.000000\n7.556931 1.940994 0.000000\n-1.289886 0.000000 9.512560\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.610754 0.610754 0.447628 Er\n0.389246 0.389246 0.552372 Er\n0.952619 0.952619 0.239196 Gd\n0.047381 0.047381 0.760804 Gd\n0.099086 0.099086 0.318183 N\n0.900914 0.900914 0.681817 N\n0.462268 0.462268 0.363038 O\n0.537732 0.537732 0.636962 O\n0.786775 0.786775 0.352429 S\n0.213225 0.213225 0.647571 S\n0.370337 0.370337 0.021656 Se\n0.629663 0.629663 0.978344 Se\n0.202385 0.202385 0.182904 Y\n0.797615 0.797615 0.817096 Y\n",
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"formula_full": "Gd2 Y2 Er2 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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}
]
}