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{
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"results": [
{
"id": "oqmd-1557369",
"created_at": "2022-09-04T15:55:48.455015Z",
"updated_at": "2022-09-04T15:55:48.455042Z",
"structure_string": "Dy2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.708851 -1.920085 0.000000\n7.708851 1.920085 0.000000\n-1.483827 0.000000 9.405120\nDy Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.606948 0.606948 0.440841 Dy\n0.393052 0.393052 0.559159 Dy\n0.193604 0.193604 0.166359 Ho\n0.806396 0.806396 0.833641 Ho\n0.094151 0.094151 0.301242 N\n0.905849 0.905849 0.698758 N\n0.461516 0.461516 0.360055 O\n0.538484 0.538484 0.639945 O\n0.365506 0.365506 0.029583 S\n0.634494 0.634494 0.970417 S\n0.785241 0.785241 0.348678 Se\n0.214759 0.214759 0.651322 Se\n0.949274 0.949274 0.232770 Y\n0.050726 0.050726 0.767230 Y\n",
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{
"id": "oqmd-1557253",
"created_at": "2022-09-04T15:55:48.452846Z",
"updated_at": "2022-09-04T15:55:48.452875Z",
"structure_string": "Tb2 Nd2 Y2 Se2 S2 N2 O2\n1.0\n7.685498 -1.963973 0.000000\n7.685498 1.963973 0.000000\n-1.569349 0.000000 9.700099\nN Nd O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.902612 0.902612 0.194392 N\n0.097388 0.097388 0.805608 N\n0.385505 0.385505 0.051926 Nd\n0.614495 0.614495 0.948074 Nd\n0.538724 0.538724 0.142890 O\n0.461276 0.461276 0.857110 O\n0.214069 0.214069 0.159013 S\n0.785931 0.785931 0.840987 S\n0.629640 0.629640 0.471527 Se\n0.370360 0.370360 0.528473 Se\n0.801624 0.801624 0.325592 Tb\n0.198376 0.198376 0.674408 Tb\n0.048702 0.048702 0.260358 Y\n0.951298 0.951298 0.739642 Y\n",
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"elements": [
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"density_atomic": 0.04780951592239992,
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"formula_full": "Tb2 Nd2 Y2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557406",
"created_at": "2022-09-04T15:55:48.551425Z",
"updated_at": "2022-09-04T15:55:48.551443Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.618532 -1.958328 0.000000\n7.618532 1.958328 0.000000\n-1.545987 0.000000 9.697641\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.609335 0.609335 0.448221 Er\n0.390665 0.390665 0.551779 Er\n0.095182 0.095182 0.321151 N\n0.904818 0.904818 0.678849 N\n0.198661 0.198661 0.180637 Nd\n0.801339 0.801339 0.819363 Nd\n0.460567 0.460567 0.366302 O\n0.539433 0.539433 0.633698 O\n0.786600 0.786600 0.359165 S\n0.213400 0.213400 0.640835 S\n0.374285 0.374285 0.032509 Se\n0.625715 0.625715 0.967491 Se\n0.948959 0.948959 0.248432 Tb\n0.051041 0.051041 0.751568 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.017662953834119,
"density_atomic": 0.04838104088875154,
"volume": 289.36954936938866,
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"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557108",
"created_at": "2022-09-04T15:55:48.566528Z",
"updated_at": "2022-09-04T15:55:48.566544Z",
"structure_string": "Tb2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.570497 -1.931797 0.000000\n7.570497 1.931797 0.000000\n-1.504729 0.000000 9.555472\nHo N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.049525 0.049525 0.256559 Ho\n0.950475 0.950475 0.743441 Ho\n0.903329 0.903329 0.188318 N\n0.096671 0.096671 0.811682 N\n0.539209 0.539209 0.138717 O\n0.460791 0.460791 0.861283 O\n0.214107 0.214107 0.150595 S\n0.785893 0.785893 0.849405 S\n0.629909 0.629909 0.471121 Se\n0.370091 0.370091 0.528879 Se\n0.387961 0.387961 0.053328 Tb\n0.612039 0.612039 0.946672 Tb\n0.800903 0.800903 0.321559 Y\n0.199097 0.199097 0.678441 Y\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Y2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557135",
"created_at": "2022-09-04T15:55:48.608836Z",
"updated_at": "2022-09-04T15:55:48.608863Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.740690 -1.932307 0.000000\n7.740690 1.932307 0.000000\n-1.549421 0.000000 9.504775\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.191769 0.191769 0.164876 Gd\n0.808231 0.808231 0.835124 Gd\n0.092481 0.092481 0.302166 N\n0.907519 0.907519 0.697834 N\n0.460448 0.460448 0.360861 O\n0.539552 0.539552 0.639139 O\n0.367760 0.367760 0.033043 S\n0.632240 0.632240 0.966957 S\n0.784765 0.784765 0.349913 Se\n0.215235 0.215235 0.650087 Se\n0.606826 0.606826 0.441078 Tb\n0.393174 0.393174 0.558922 Tb\n0.947861 0.947861 0.236073 Y\n0.052139 0.052139 0.763927 Y\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.04923799922443392,
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"formula_full": "Tb2 Gd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbGdYSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1558099",
"created_at": "2022-09-04T15:55:39.336146Z",
"updated_at": "2022-09-04T15:55:39.336156Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.695635 -1.966746 0.000000\n7.695635 1.966746 0.000000\n-1.441482 0.000000 9.700669\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.799514 0.799514 0.323339 Dy\n0.200486 0.200486 0.676661 Dy\n0.046439 0.046439 0.263502 Gd\n0.953561 0.953561 0.736498 Gd\n0.900541 0.900541 0.192557 N\n0.099459 0.099459 0.807443 N\n0.385280 0.385280 0.051496 Nd\n0.614720 0.614720 0.948504 Nd\n0.537414 0.537414 0.143889 O\n0.462586 0.462586 0.856111 O\n0.213135 0.213135 0.159878 S\n0.786865 0.786865 0.840122 S\n0.630619 0.630619 0.476749 Se\n0.369381 0.369381 0.523251 Se\n",
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"elements": [
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"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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{
"id": "oqmd-1557126",
"created_at": "2022-09-04T15:55:47.365928Z",
"updated_at": "2022-09-04T15:55:47.365938Z",
"structure_string": "Nd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.786220 -1.951724 0.000000\n7.786220 1.951724 0.000000\n-1.659121 0.000000 9.642870\nDy N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.394818 0.394818 0.058029 Dy\n0.605182 0.605182 0.941971 Dy\n0.909798 0.909798 0.192336 N\n0.090202 0.090202 0.807664 N\n0.810370 0.810370 0.335643 Nd\n0.189630 0.189630 0.664357 Nd\n0.540450 0.540450 0.135738 O\n0.459550 0.459550 0.864262 O\n0.629487 0.629487 0.459889 S\n0.370513 0.370513 0.540111 S\n0.215866 0.215866 0.144667 Se\n0.784134 0.784134 0.855333 Se\n0.054262 0.054262 0.257603 Y\n0.945738 0.945738 0.742397 Y\n",
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},
{
"id": "oqmd-1558529",
"created_at": "2022-09-04T15:55:43.409232Z",
"updated_at": "2022-09-04T15:55:43.409260Z",
"structure_string": "Gd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.755761 -1.924840 0.000000\n7.755761 1.924840 0.000000\n-1.504474 0.000000 9.480698\nDy Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.948735 0.948735 0.233841 Dy\n0.051265 0.051265 0.766159 Dy\n0.607963 0.607963 0.440113 Gd\n0.392037 0.392037 0.559887 Gd\n0.192260 0.192260 0.164195 Ho\n0.807740 0.807740 0.835805 Ho\n0.093275 0.093275 0.297996 N\n0.906725 0.906725 0.702004 N\n0.460819 0.460819 0.358753 O\n0.539181 0.539181 0.641247 O\n0.365309 0.365309 0.030690 S\n0.634691 0.634691 0.969310 S\n0.784470 0.784470 0.346359 Se\n0.215530 0.215530 0.653641 Se\n",
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"formula_full": "Gd2 Dy2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557753",
"created_at": "2022-09-04T15:55:40.025931Z",
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"structure_string": "Gd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.720983 -1.914954 0.000000\n7.720983 1.914954 0.000000\n-1.571091 0.000000 9.443002\nEr Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.051852 0.051852 0.265302 Er\n0.948148 0.948148 0.734698 Er\n0.391946 0.391946 0.059640 Gd\n0.608054 0.608054 0.940360 Gd\n0.808514 0.808514 0.336687 Ho\n0.191486 0.191486 0.663313 Ho\n0.907778 0.907778 0.203088 N\n0.092222 0.092222 0.796912 N\n0.539794 0.539794 0.142103 O\n0.460206 0.460206 0.857897 O\n0.634067 0.634067 0.466924 S\n0.365933 0.365933 0.533076 S\n0.215243 0.215243 0.153818 Se\n0.784757 0.784757 0.846182 Se\n",
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{
"id": "oqmd-1557691",
"created_at": "2022-09-04T15:55:40.187907Z",
"updated_at": "2022-09-04T15:55:40.187933Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.595361 -1.962539 0.000000\n7.595361 1.962539 0.000000\n-0.592238 0.000000 9.469608\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.612490 0.612490 0.454091 Er\n0.387510 0.387510 0.545909 Er\n0.109656 0.109656 0.330777 N\n0.890344 0.890344 0.669223 N\n0.968854 0.968854 0.224726 Nd\n0.031146 0.031146 0.775274 Nd\n0.470888 0.470888 0.357240 O\n0.529112 0.529112 0.642760 O\n0.793785 0.793785 0.347013 S\n0.206215 0.206215 0.652987 S\n0.622997 0.622997 0.002100 Se\n0.377003 0.377003 0.997900 Se\n0.213925 0.213925 0.187582 Tb\n0.786075 0.786075 0.812418 Tb\n",
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"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557662",
"created_at": "2022-09-04T15:55:39.431466Z",
"updated_at": "2022-09-04T15:55:39.431489Z",
"structure_string": "Nd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.770730 -1.944302 0.000000\n7.770730 1.944302 0.000000\n-1.639535 0.000000 9.622599\nEr N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.395778 0.395778 0.058141 Er\n0.604222 0.604222 0.941859 Er\n0.909521 0.909521 0.190095 N\n0.090479 0.090479 0.809905 N\n0.809921 0.809921 0.333940 Nd\n0.190079 0.190079 0.666060 Nd\n0.540053 0.540053 0.134515 O\n0.459947 0.459947 0.865485 O\n0.629112 0.629112 0.460623 S\n0.370888 0.370888 0.539377 S\n0.215430 0.215430 0.142384 Se\n0.784570 0.784570 0.857616 Se\n0.053913 0.053913 0.257124 Y\n0.946087 0.946087 0.742876 Y\n",
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"volume_molar": 12.507508092202633,
"formula_full": "Nd2 Y2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557676",
"created_at": "2022-09-04T15:55:39.482021Z",
"updated_at": "2022-09-04T15:55:39.482046Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.650703 -1.951099 0.000000\n7.650703 1.951099 0.000000\n-1.642613 0.000000 9.706639\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.049491 0.049491 0.257586 Er\n0.950509 0.950509 0.742414 Er\n0.904269 0.904269 0.196259 N\n0.095731 0.095731 0.803741 N\n0.385547 0.385547 0.052647 Nd\n0.614453 0.614453 0.947353 Nd\n0.539481 0.539481 0.143271 O\n0.460519 0.460519 0.856729 O\n0.214235 0.214235 0.159311 S\n0.785765 0.785765 0.840689 S\n0.629157 0.629157 0.468003 Se\n0.370843 0.370843 0.531997 Se\n0.803167 0.803167 0.327232 Tb\n0.196833 0.196833 0.672768 Tb\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
}
]
}