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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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{
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"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.551183 -1.956421 0.000000\n7.551183 1.956421 0.000000\n-0.501790 0.000000 9.413323\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.386960 0.386960 0.045854 Er\n0.613040 0.613040 0.954146 Er\n0.785325 0.785325 0.312522 Ho\n0.214675 0.214675 0.687478 Ho\n0.889296 0.889296 0.170006 N\n0.110704 0.110704 0.829994 N\n0.029568 0.029568 0.276991 Nd\n0.970432 0.970432 0.723009 Nd\n0.529062 0.529062 0.142881 O\n0.470938 0.470938 0.857119 O\n0.205728 0.205728 0.154953 S\n0.794272 0.794272 0.845047 S\n0.375991 0.375991 0.496671 Se\n0.624009 0.624009 0.503329 Se\n",
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},
{
"id": "oqmd-1558016",
"created_at": "2022-09-04T15:55:40.863274Z",
"updated_at": "2022-09-04T15:55:40.863293Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.808363 -1.948165 0.000000\n7.808363 1.948165 0.000000\n-1.714736 0.000000 9.688195\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.054689 0.054689 0.256366 Dy\n0.945311 0.945311 0.743634 Dy\n0.910766 0.910766 0.193773 N\n0.089234 0.089234 0.806227 N\n0.811768 0.811768 0.336233 Nd\n0.188232 0.188232 0.663767 Nd\n0.540742 0.540742 0.136285 O\n0.459258 0.459258 0.863715 O\n0.630575 0.630575 0.458310 S\n0.369425 0.369425 0.541690 S\n0.216408 0.216408 0.145619 Se\n0.783592 0.783592 0.854381 Se\n0.394437 0.394437 0.058116 Tb\n0.605563 0.605563 0.941884 Tb\n",
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"elements": [
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"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557815",
"created_at": "2022-09-04T15:55:40.895451Z",
"updated_at": "2022-09-04T15:55:40.895471Z",
"structure_string": "Gd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.728109 -1.920105 0.000000\n7.728109 1.920105 0.000000\n-1.609333 0.000000 9.492333\nEr Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.947301 0.947301 0.238789 Er\n0.052699 0.052699 0.761211 Er\n0.190514 0.190514 0.163337 Gd\n0.809486 0.809486 0.836663 Gd\n0.091304 0.091304 0.301058 N\n0.908696 0.908696 0.698942 N\n0.459472 0.459472 0.360343 O\n0.540528 0.540528 0.639657 O\n0.368403 0.368403 0.036256 S\n0.631597 0.631597 0.963744 S\n0.784573 0.784573 0.350462 Se\n0.215427 0.215427 0.649538 Se\n0.607023 0.607023 0.440678 Y\n0.392977 0.392977 0.559322 Y\n",
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"elements": [
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"formula_full": "Gd2 Y2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1558107",
"created_at": "2022-09-04T15:55:41.603023Z",
"updated_at": "2022-09-04T15:55:41.603040Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.800521 -1.962952 0.000000\n7.800521 1.962952 0.000000\n-1.177947 0.000000 9.521922\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.802021 0.802021 0.328074 Gd\n0.197979 0.197979 0.671926 Gd\n0.393757 0.393757 0.056381 Ho\n0.606243 0.606243 0.943619 Ho\n0.901671 0.901671 0.187368 N\n0.098329 0.098329 0.812632 N\n0.046974 0.046974 0.272444 Nd\n0.953026 0.953026 0.727556 Nd\n0.535900 0.535900 0.138166 O\n0.464100 0.464100 0.861834 O\n0.632842 0.632842 0.480671 S\n0.367158 0.367158 0.519329 S\n0.213257 0.213257 0.147902 Se\n0.786743 0.786743 0.852098 Se\n",
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"elements": [
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"density": 6.918376123103334,
"density_atomic": 0.04801093127575864,
"volume": 291.60025910742513,
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"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558000",
"created_at": "2022-09-04T15:55:41.098341Z",
"updated_at": "2022-09-04T15:55:41.098363Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.568441 -1.932640 0.000000\n7.568441 1.932640 0.000000\n-1.460409 0.000000 9.523041\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.951358 0.951358 0.240578 Dy\n0.048642 0.048642 0.759422 Dy\n0.199622 0.199622 0.180034 Ho\n0.800378 0.800378 0.819966 Ho\n0.098097 0.098097 0.312446 N\n0.901903 0.901903 0.687554 N\n0.461281 0.461281 0.360470 O\n0.538719 0.538719 0.639530 O\n0.785945 0.785945 0.348314 S\n0.214055 0.214055 0.651686 S\n0.369760 0.369760 0.025030 Se\n0.630240 0.630240 0.974970 Se\n0.612288 0.612288 0.447323 Tb\n0.387712 0.387712 0.552677 Tb\n",
"nsites": 14,
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"elements": [
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"density": 7.479135578306652,
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558085",
"created_at": "2022-09-04T15:55:41.530862Z",
"updated_at": "2022-09-04T15:55:41.530889Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.794580 -1.948427 0.000000\n7.794580 1.948427 0.000000\n-1.655728 0.000000 9.657673\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.604322 0.604322 0.441290 Ho\n0.395678 0.395678 0.558710 Ho\n0.089569 0.089569 0.308997 N\n0.910431 0.910431 0.691003 N\n0.189047 0.189047 0.165781 Nd\n0.810953 0.810953 0.834219 Nd\n0.459286 0.459286 0.365613 O\n0.540714 0.540714 0.634387 O\n0.369316 0.369316 0.039726 S\n0.630684 0.630684 0.960274 S\n0.783377 0.783377 0.356719 Se\n0.216623 0.216623 0.643281 Se\n0.945013 0.945013 0.243392 Tb\n0.054987 0.054987 0.756608 Tb\n",
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"elements": [
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"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557814",
"created_at": "2022-09-04T15:55:41.543258Z",
"updated_at": "2022-09-04T15:55:41.543279Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.732030 -1.920295 0.000000\n7.732030 1.920295 0.000000\n-1.453260 0.000000 9.409252\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.806265 0.806265 0.333536 Er\n0.193735 0.193735 0.666464 Er\n0.905845 0.905845 0.199878 N\n0.094155 0.094155 0.800122 N\n0.539136 0.539136 0.140925 O\n0.460864 0.460864 0.859075 O\n0.635959 0.635959 0.472078 S\n0.364041 0.364041 0.527922 S\n0.215293 0.215293 0.151298 Se\n0.784707 0.784707 0.848702 Se\n0.050877 0.050877 0.268042 Tb\n0.949123 0.949123 0.731958 Tb\n0.392340 0.392340 0.059485 Y\n0.607660 0.607660 0.940515 Y\n",
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"density": 6.610008914951461,
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"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557746",
"created_at": "2022-09-04T15:55:41.125657Z",
"updated_at": "2022-09-04T15:55:41.125679Z",
"structure_string": "Nd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.826433 -1.932407 0.000000\n7.826433 1.932407 0.000000\n-1.672560 0.000000 9.597758\nEr N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.051594 0.051594 0.265558 Er\n0.948406 0.948406 0.734442 Er\n0.908850 0.908850 0.208833 N\n0.091150 0.091150 0.791167 N\n0.390134 0.390134 0.059472 Nd\n0.609866 0.609866 0.940528 Nd\n0.540083 0.540083 0.145782 O\n0.459917 0.459917 0.854218 O\n0.634492 0.634492 0.464414 S\n0.365508 0.365508 0.535586 S\n0.215383 0.215383 0.159723 Se\n0.784617 0.784617 0.840277 Se\n0.809735 0.809735 0.340526 Y\n0.190265 0.190265 0.659474 Y\n",
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},
{
"id": "oqmd-1558109",
"created_at": "2022-09-04T15:55:41.173996Z",
"updated_at": "2022-09-04T15:55:41.174030Z",
"structure_string": "Nd2 Gd2 Ho2 Se2 S2 N2 O2\n1.0\n7.814801 -1.945123 0.000000\n7.814801 1.945123 0.000000\n-1.811239 0.000000 9.715417\nGd Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.605734 0.605734 0.441258 Gd\n0.394266 0.394266 0.558742 Gd\n0.943794 0.943794 0.244943 Ho\n0.056206 0.056206 0.755057 Ho\n0.087394 0.087394 0.303496 N\n0.912606 0.912606 0.696504 N\n0.185896 0.185896 0.162059 Nd\n0.814104 0.814104 0.837941 Nd\n0.458170 0.458170 0.363570 O\n0.541830 0.541830 0.636430 O\n0.368669 0.368669 0.044300 S\n0.631331 0.631331 0.955700 S\n0.782489 0.782489 0.352872 Se\n0.217511 0.217511 0.647128 Se\n",
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"elements": [
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],
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"formula_full": "Nd2 Gd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdGdHoSeSNO",
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},
{
"id": "oqmd-1557559",
"created_at": "2022-09-04T15:55:46.761705Z",
"updated_at": "2022-09-04T15:55:46.761722Z",
"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.652004 -1.949714 0.000000\n7.652004 1.949714 0.000000\n-1.514071 0.000000 9.635039\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.952390 0.952390 0.236915 Dy\n0.047610 0.047610 0.763085 Dy\n0.199332 0.199332 0.174765 Er\n0.800668 0.800668 0.825235 Er\n0.098405 0.098405 0.303879 N\n0.901595 0.901595 0.696121 N\n0.615243 0.615243 0.448054 Nd\n0.384757 0.384757 0.551946 Nd\n0.461602 0.461602 0.355413 O\n0.538398 0.538398 0.644587 O\n0.786077 0.786077 0.338305 S\n0.213923 0.213923 0.661695 S\n0.368530 0.368530 0.025720 Se\n0.631470 0.631470 0.974280 Se\n",
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"volume_molar": 12.366660485265692,
"formula_full": "Nd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdDyErSeSNO",
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},
{
"id": "oqmd-1557125",
"created_at": "2022-09-04T15:55:46.848425Z",
"updated_at": "2022-09-04T15:55:46.848446Z",
"structure_string": "Tb2 Nd2 Y2 Se2 S2 N2 O2\n1.0\n7.614032 -1.966133 0.000000\n7.614032 1.966133 0.000000\n-0.721589 0.000000 9.488760\nN Nd O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.110127 0.110127 0.327425 N\n0.889873 0.889873 0.672575 N\n0.968507 0.968507 0.224518 Nd\n0.031493 0.031493 0.775482 Nd\n0.469911 0.469911 0.355645 O\n0.530089 0.530089 0.644355 O\n0.794292 0.794292 0.344631 S\n0.205708 0.205708 0.655369 S\n0.376451 0.376451 0.000231 Se\n0.623549 0.623549 0.999769 Se\n0.213193 0.213193 0.185343 Tb\n0.786807 0.786807 0.814657 Tb\n0.614167 0.614167 0.455026 Y\n0.385833 0.385833 0.544974 Y\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Nd2 Y2 Se2 S2 N2 O2",
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}
]
}