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{
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"results": [
{
"id": "oqmd-1557398",
"created_at": "2022-09-04T15:55:47.891089Z",
"updated_at": "2022-09-04T15:55:47.891107Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.535523 -1.917590 0.000000\n7.535523 1.917590 0.000000\n-1.535333 0.000000 9.490949\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.611520 0.611520 0.445880 Dy\n0.388480 0.388480 0.554120 Dy\n0.949669 0.949669 0.243424 Er\n0.050331 0.050331 0.756576 Er\n0.198421 0.198421 0.178815 Ho\n0.801579 0.801579 0.821185 Ho\n0.095966 0.095966 0.310806 N\n0.904034 0.904034 0.689194 N\n0.460252 0.460252 0.361583 O\n0.539748 0.539748 0.638417 O\n0.785265 0.785265 0.349354 S\n0.214735 0.214735 0.650646 S\n0.369734 0.369734 0.028920 Se\n0.630266 0.630266 0.971080 Se\n",
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"spacegroup": 12
},
{
"id": "oqmd-1557403",
"created_at": "2022-09-04T15:55:47.938633Z",
"updated_at": "2022-09-04T15:55:47.938660Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.574424 -1.961385 0.000000\n7.574424 1.961385 0.000000\n-0.485631 0.000000 9.450540\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.215402 0.215402 0.185044 Er\n0.784598 0.784598 0.814956 Er\n0.112287 0.112287 0.327365 N\n0.887713 0.887713 0.672635 N\n0.972236 0.972236 0.221699 Nd\n0.027764 0.027764 0.778301 Nd\n0.471844 0.471844 0.354438 O\n0.528156 0.528156 0.645562 O\n0.795108 0.795108 0.340152 S\n0.204892 0.204892 0.659848 S\n0.624444 0.624444 0.003789 Se\n0.375556 0.375556 0.996211 Se\n0.615028 0.615028 0.454982 Tb\n0.384972 0.384972 0.545018 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.049857322687775686,
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"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbNdErSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558084",
"created_at": "2022-09-04T15:55:39.319293Z",
"updated_at": "2022-09-04T15:55:39.319312Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.672929 -1.956121 0.000000\n7.672929 1.956121 0.000000\n-1.543232 0.000000 9.697019\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.952722 0.952722 0.240945 Ho\n0.047278 0.047278 0.759055 Ho\n0.097615 0.097615 0.305579 N\n0.902385 0.902385 0.694421 N\n0.614781 0.614781 0.448176 Nd\n0.385219 0.385219 0.551824 Nd\n0.462013 0.462013 0.356294 O\n0.537987 0.537987 0.643706 O\n0.786923 0.786923 0.339949 S\n0.213077 0.213077 0.660051 S\n0.371130 0.371130 0.029305 Se\n0.628870 0.628870 0.970695 Se\n0.198719 0.198719 0.173692 Tb\n0.801281 0.801281 0.826308 Tb\n",
"nsites": 14,
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"elements": [
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"Nd",
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],
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"density": 6.949652161795393,
"density_atomic": 0.04809532883512179,
"volume": 291.08855972259096,
"volume_molar": 12.521259144822212,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
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"formation_energy": -2.34317324403366,
"spacegroup": 12
},
{
"id": "oqmd-1558220",
"created_at": "2022-09-04T15:55:42.753155Z",
"updated_at": "2022-09-04T15:55:42.753176Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.690644 -1.964417 0.000000\n7.690644 1.964417 0.000000\n-1.521340 0.000000 9.726956\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.047172 0.047172 0.259352 Dy\n0.952828 0.952828 0.740648 Dy\n0.800672 0.800672 0.325666 Gd\n0.199328 0.199328 0.674334 Gd\n0.902065 0.902065 0.192823 N\n0.097935 0.097935 0.807177 N\n0.385383 0.385383 0.051545 Nd\n0.614617 0.614617 0.948455 Nd\n0.537861 0.537861 0.143445 O\n0.462139 0.462139 0.856555 O\n0.212681 0.212681 0.158866 S\n0.787319 0.787319 0.841134 S\n0.628446 0.628446 0.471499 Se\n0.371554 0.371554 0.528501 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.836718690916516,
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"volume": 293.9025398486171,
"volume_molar": 12.642303319213438,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557404",
"created_at": "2022-09-04T15:55:47.967471Z",
"updated_at": "2022-09-04T15:55:47.967500Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.566299 -1.934456 0.000000\n7.566299 1.934456 0.000000\n-1.411937 0.000000 9.507681\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.799346 0.799346 0.319950 Er\n0.200654 0.200654 0.680050 Er\n0.901388 0.901388 0.188607 N\n0.098612 0.098612 0.811393 N\n0.538235 0.538235 0.139332 O\n0.461765 0.461765 0.860668 O\n0.213919 0.213919 0.153321 S\n0.786081 0.786081 0.846679 S\n0.630726 0.630726 0.476211 Se\n0.369274 0.369274 0.523789 Se\n0.387862 0.387862 0.052987 Tb\n0.612138 0.612138 0.947013 Tb\n0.047974 0.047974 0.261302 Y\n0.952026 0.952026 0.738698 Y\n",
"nsites": 14,
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"elements": [
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"density": 6.63592806341258,
"density_atomic": 0.05030151698818308,
"volume": 278.32162603145554,
"volume_molar": 11.972085775096467,
"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbYErSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558389",
"created_at": "2022-09-04T15:55:43.422453Z",
"updated_at": "2022-09-04T15:55:43.422475Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.771168 -1.931884 0.000000\n7.771168 1.931884 0.000000\n-1.474679 0.000000 9.501814\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.806788 0.806788 0.335080 Dy\n0.193212 0.193212 0.664920 Dy\n0.391988 0.391988 0.059032 Gd\n0.608012 0.608012 0.940968 Gd\n0.905762 0.905762 0.199807 N\n0.094238 0.094238 0.800193 N\n0.538541 0.538541 0.141248 O\n0.461459 0.461459 0.858752 O\n0.633989 0.633989 0.470434 S\n0.366011 0.366011 0.529566 S\n0.214898 0.214898 0.152844 Se\n0.785102 0.785102 0.847156 Se\n0.050269 0.050269 0.266990 Tb\n0.949731 0.949731 0.733010 Tb\n",
"nsites": 14,
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"elements": [
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"density": 7.213752629710859,
"density_atomic": 0.04907091677239467,
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"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557298",
"created_at": "2022-09-04T15:55:48.026848Z",
"updated_at": "2022-09-04T15:55:48.026877Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.755791 -1.934763 0.000000\n7.755791 1.934763 0.000000\n-1.436633 0.000000 9.474534\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.050190 0.050190 0.266789 Gd\n0.949810 0.949810 0.733211 Gd\n0.905182 0.905182 0.196483 N\n0.094818 0.094818 0.803517 N\n0.538336 0.538336 0.139920 O\n0.461664 0.461664 0.860080 O\n0.634290 0.634290 0.470722 S\n0.365710 0.365710 0.529278 S\n0.214412 0.214412 0.149022 Se\n0.785588 0.785588 0.850978 Se\n0.805461 0.805461 0.333265 Tb\n0.194539 0.194539 0.666735 Tb\n0.392454 0.392454 0.058250 Y\n0.607546 0.607546 0.941750 Y\n",
"nsites": 14,
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"formula_full": "Tb2 Gd2 Y2 Se2 S2 N2 O2",
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{
"id": "oqmd-1557657",
"created_at": "2022-09-04T15:55:39.792859Z",
"updated_at": "2022-09-04T15:55:39.792883Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.670208 -1.908504 0.000000\n7.670208 1.908504 0.000000\n-1.516851 0.000000 9.397668\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.192093 0.192093 0.166576 Dy\n0.807907 0.807907 0.833424 Dy\n0.605962 0.605962 0.440365 Er\n0.394038 0.394038 0.559635 Er\n0.947741 0.947741 0.236047 Ho\n0.052259 0.052259 0.763953 Ho\n0.092398 0.092398 0.303254 N\n0.907602 0.907602 0.696746 N\n0.460026 0.460026 0.361218 O\n0.539974 0.539974 0.638782 O\n0.366886 0.366886 0.032009 S\n0.633114 0.633114 0.967991 S\n0.784721 0.784721 0.351659 Se\n0.215279 0.215279 0.648341 Se\n",
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"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557305",
"created_at": "2022-09-04T15:55:48.087673Z",
"updated_at": "2022-09-04T15:55:48.087714Z",
"structure_string": "Tb2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.561877 -1.937131 0.000000\n7.561877 1.937131 0.000000\n-1.430736 0.000000 9.527793\nHo N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.389543 0.389543 0.052673 Ho\n0.610457 0.610457 0.947327 Ho\n0.902630 0.902630 0.183984 N\n0.097370 0.097370 0.816016 N\n0.538536 0.538536 0.137096 O\n0.461464 0.461464 0.862904 O\n0.214038 0.214038 0.149034 S\n0.785962 0.785962 0.850966 S\n0.628399 0.628399 0.474141 Se\n0.371601 0.371601 0.525859 Se\n0.800198 0.800198 0.318773 Tb\n0.199802 0.199802 0.681227 Tb\n0.049126 0.049126 0.258167 Y\n0.950874 0.950874 0.741833 Y\n",
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},
{
"id": "oqmd-1557310",
"created_at": "2022-09-04T15:55:48.180189Z",
"updated_at": "2022-09-04T15:55:48.180223Z",
"structure_string": "Gd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.579818 -1.935874 0.000000\n7.579818 1.935874 0.000000\n-1.496604 0.000000 9.569324\nGd Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.387348 0.387348 0.052794 Gd\n0.612652 0.612652 0.947206 Gd\n0.048961 0.048961 0.257254 Ho\n0.951039 0.951039 0.742746 Ho\n0.902932 0.902932 0.189086 N\n0.097068 0.097068 0.810914 N\n0.538837 0.538837 0.139705 O\n0.461163 0.461163 0.860295 O\n0.214049 0.214049 0.152812 S\n0.785951 0.785951 0.847188 S\n0.629408 0.629408 0.471136 Se\n0.370592 0.370592 0.528864 Se\n0.801196 0.801196 0.322549 Y\n0.198804 0.198804 0.677451 Y\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Gd2 Y2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "GdYHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557453",
"created_at": "2022-09-04T15:55:48.287659Z",
"updated_at": "2022-09-04T15:55:48.287687Z",
"structure_string": "Nd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.786211 -1.937068 0.000000\n7.786211 1.937068 0.000000\n-1.752766 0.000000 9.657711\nEr N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.053845 0.053845 0.254851 Er\n0.946155 0.946155 0.745149 Er\n0.910804 0.910804 0.194715 N\n0.089196 0.089196 0.805285 N\n0.811768 0.811768 0.337287 Nd\n0.188232 0.188232 0.662713 Nd\n0.540823 0.540823 0.137057 O\n0.459177 0.459177 0.862943 O\n0.628822 0.628822 0.456716 S\n0.371178 0.371178 0.543284 S\n0.215615 0.215615 0.145432 Se\n0.784385 0.784385 0.854568 Se\n0.394222 0.394222 0.058403 Y\n0.605778 0.605778 0.941597 Y\n",
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"elements": [
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],
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"density": 6.172378496095293,
"density_atomic": 0.04805657323841062,
"volume": 291.3233103522681,
"volume_molar": 12.53135701150374,
"formula_full": "Nd2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdYErSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557472",
"created_at": "2022-09-04T15:55:48.202990Z",
"updated_at": "2022-09-04T15:55:48.203013Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.743075 -1.927372 0.000000\n7.743075 1.927372 0.000000\n-1.440453 0.000000 9.430601\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.194286 0.194286 0.166822 Er\n0.805714 0.805714 0.833178 Er\n0.949196 0.949196 0.229994 Gd\n0.050804 0.050804 0.770006 Gd\n0.094651 0.094651 0.300289 N\n0.905349 0.905349 0.699711 N\n0.461409 0.461409 0.359126 O\n0.538591 0.538591 0.640874 O\n0.363679 0.363679 0.026667 S\n0.636321 0.636321 0.973333 S\n0.784876 0.784876 0.347761 Se\n0.215124 0.215124 0.652239 Se\n0.607545 0.607545 0.440784 Tb\n0.392455 0.392455 0.559216 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",
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"spacegroup": 12
}
]
}