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{
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{
"id": "oqmd-1557757",
"created_at": "2022-09-04T15:55:40.652541Z",
"updated_at": "2022-09-04T15:55:40.652571Z",
"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.595698 -1.949641 0.000000\n7.595698 1.949641 0.000000\n-1.658613 0.000000 9.719734\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.389732 0.389732 0.052117 Dy\n0.610268 0.610268 0.947883 Dy\n0.051621 0.051621 0.248529 Er\n0.948379 0.948379 0.751471 Er\n0.906226 0.906226 0.182845 N\n0.093774 0.093774 0.817155 N\n0.803730 0.803730 0.323277 Nd\n0.196270 0.196270 0.676723 Nd\n0.540149 0.540149 0.135092 O\n0.459851 0.459851 0.864908 O\n0.213720 0.213720 0.144194 S\n0.786280 0.786280 0.855806 S\n0.624427 0.624427 0.462058 Se\n0.375573 0.375573 0.537942 Se\n",
"nsites": 14,
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{
"id": "oqmd-1557668",
"created_at": "2022-09-04T15:55:40.711147Z",
"updated_at": "2022-09-04T15:55:40.711164Z",
"structure_string": "Gd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.737953 -1.917439 0.000000\n7.737953 1.917439 0.000000\n-1.616993 0.000000 9.488261\nDy Er Gd N O S Se\n2 2 2 2 2 2 2\ndirect\n0.393799 0.393799 0.059553 Dy\n0.606201 0.606201 0.940447 Dy\n0.052642 0.052642 0.260655 Er\n0.947358 0.947358 0.739345 Er\n0.809612 0.809612 0.335680 Gd\n0.190388 0.190388 0.664320 Gd\n0.909003 0.909003 0.197993 N\n0.090997 0.090997 0.802007 N\n0.539790 0.539790 0.139166 O\n0.460210 0.460210 0.860834 O\n0.631806 0.631806 0.463625 S\n0.368194 0.368194 0.536375 S\n0.215447 0.215447 0.148979 Se\n0.784553 0.784553 0.851021 Se\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.04972373845058725,
"volume": 281.55566005787034,
"volume_molar": 12.111198690308605,
"formula_full": "Gd2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdDyErSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1558025",
"created_at": "2022-09-04T15:55:41.617469Z",
"updated_at": "2022-09-04T15:55:41.617493Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.782190 -1.954396 0.000000\n7.782190 1.954396 0.000000\n-1.151021 0.000000 9.478807\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.197929 0.197929 0.172127 Dy\n0.802071 0.802071 0.827873 Dy\n0.606718 0.606718 0.443321 Ho\n0.393282 0.393282 0.556679 Ho\n0.098938 0.098938 0.311476 N\n0.901062 0.901062 0.688524 N\n0.953398 0.953398 0.226177 Nd\n0.046602 0.046602 0.773823 Nd\n0.464213 0.464213 0.361383 O\n0.535787 0.535787 0.638617 O\n0.366137 0.366137 0.017565 S\n0.633863 0.633863 0.982435 S\n0.786391 0.786391 0.350004 Se\n0.213609 0.213609 0.649996 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.057182141917619,
"density_atomic": 0.04855455347318143,
"volume": 288.3354700755871,
"volume_molar": 12.402834192113954,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4261560450336583,
"spacegroup": 12
},
{
"id": "oqmd-1558064",
"created_at": "2022-09-04T15:55:41.603969Z",
"updated_at": "2022-09-04T15:55:41.603997Z",
"structure_string": "Nd2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.622032 -1.974724 0.000000\n7.622032 1.974724 0.000000\n-0.672398 0.000000 9.517509\nDy Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.386992 0.386992 0.046232 Dy\n0.613008 0.613008 0.953768 Dy\n0.787347 0.787347 0.314637 Gd\n0.212653 0.212653 0.685363 Gd\n0.891491 0.891491 0.171821 N\n0.108509 0.108509 0.828179 N\n0.032794 0.032794 0.273744 Nd\n0.967206 0.967206 0.726256 Nd\n0.530345 0.530345 0.142741 O\n0.469655 0.469655 0.857259 O\n0.206622 0.206622 0.153297 S\n0.793378 0.793378 0.846703 S\n0.623343 0.623343 0.498365 Se\n0.376657 0.376657 0.501635 Se\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.04886496270517005,
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"volume_molar": 12.32404656959421,
"formula_full": "Nd2 Gd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557947",
"created_at": "2022-09-04T15:55:40.798021Z",
"updated_at": "2022-09-04T15:55:40.798047Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.572057 -1.931603 0.000000\n7.572057 1.931603 0.000000\n-1.509618 0.000000 9.551532\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.199149 0.199149 0.178844 Dy\n0.800851 0.800851 0.821156 Dy\n0.950549 0.950549 0.242824 Ho\n0.049451 0.049451 0.757176 Ho\n0.096762 0.096762 0.311364 N\n0.903238 0.903238 0.688636 N\n0.460915 0.460915 0.361453 O\n0.539085 0.539085 0.638547 O\n0.785957 0.785957 0.349135 S\n0.214043 0.214043 0.650865 S\n0.369903 0.369903 0.028344 Se\n0.630097 0.630097 0.971656 Se\n0.611949 0.611949 0.446705 Tb\n0.388051 0.388051 0.553295 Tb\n",
"nsites": 14,
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"elements": [
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"N",
"O",
"S",
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],
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"density": 7.457266658544942,
"density_atomic": 0.050106406710955016,
"volume": 279.4053878331513,
"volume_molar": 12.018704104525916,
"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.390594637843184,
"spacegroup": 12
},
{
"id": "oqmd-1557910",
"created_at": "2022-09-04T15:55:41.784508Z",
"updated_at": "2022-09-04T15:55:41.784529Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.566162 -1.931348 0.000000\n7.566162 1.931348 0.000000\n-1.511299 0.000000 9.552472\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.611369 0.611369 0.446797 Dy\n0.388631 0.388631 0.553203 Dy\n0.950381 0.950381 0.244008 Ho\n0.049619 0.049619 0.755992 Ho\n0.096638 0.096638 0.313365 N\n0.903362 0.903362 0.686635 N\n0.460876 0.460876 0.362400 O\n0.539124 0.539124 0.637600 O\n0.786080 0.786080 0.351162 S\n0.213920 0.213920 0.648838 S\n0.370858 0.370858 0.028882 Se\n0.629142 0.629142 0.971118 Se\n0.199144 0.199144 0.179282 Tb\n0.800856 0.800856 0.820718 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"O",
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],
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"density": 7.46332768878795,
"density_atomic": 0.05014713161196088,
"volume": 279.1784804030701,
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557800",
"created_at": "2022-09-04T15:55:40.120860Z",
"updated_at": "2022-09-04T15:55:40.120891Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.750026 -1.933228 0.000000\n7.750026 1.933228 0.000000\n-1.726737 0.000000 9.622929\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.055413 0.055413 0.254631 Er\n0.944587 0.944587 0.745369 Er\n0.395070 0.395070 0.058315 Ho\n0.604930 0.604930 0.941685 Ho\n0.911497 0.911497 0.192902 N\n0.088503 0.088503 0.807098 N\n0.812256 0.812256 0.336653 Nd\n0.187744 0.187744 0.663347 Nd\n0.541323 0.541323 0.135353 O\n0.458677 0.458677 0.864647 O\n0.629263 0.629263 0.455866 S\n0.370737 0.370737 0.544134 S\n0.216266 0.216266 0.143513 Se\n0.783734 0.783734 0.856487 Se\n",
"nsites": 14,
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"elements": [
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"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558467",
"created_at": "2022-09-04T15:55:42.155645Z",
"updated_at": "2022-09-04T15:55:42.155678Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.613890 -1.949891 0.000000\n7.613890 1.949891 0.000000\n-1.305880 0.000000 9.560852\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.202593 0.202593 0.181624 Dy\n0.797407 0.797407 0.818376 Dy\n0.954239 0.954239 0.237880 Gd\n0.045761 0.045761 0.762120 Gd\n0.099995 0.099995 0.315599 N\n0.900005 0.900005 0.684401 N\n0.463218 0.463218 0.360538 O\n0.536782 0.536782 0.639462 O\n0.787322 0.787322 0.348408 S\n0.212678 0.212678 0.651592 S\n0.370403 0.370403 0.021038 Se\n0.629597 0.629597 0.978962 Se\n0.612198 0.612198 0.448621 Tb\n0.387802 0.387802 0.551379 Tb\n",
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"elements": [
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"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557684",
"created_at": "2022-09-04T15:55:40.804703Z",
"updated_at": "2022-09-04T15:55:40.804726Z",
"structure_string": "Nd2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.844434 -1.938835 0.000000\n7.844434 1.938835 0.000000\n-1.715815 0.000000 9.647588\nEr Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.051746 0.051746 0.263551 Er\n0.948254 0.948254 0.736449 Er\n0.810750 0.810750 0.341136 Gd\n0.189250 0.189250 0.658864 Gd\n0.909220 0.909220 0.207642 N\n0.090780 0.090780 0.792358 N\n0.390324 0.390324 0.059065 Nd\n0.609676 0.609676 0.940935 Nd\n0.540010 0.540010 0.144840 O\n0.459990 0.459990 0.855160 O\n0.632652 0.632652 0.462573 S\n0.367348 0.367348 0.537427 S\n0.215479 0.215479 0.158713 Se\n0.784521 0.784521 0.841287 Se\n",
"nsites": 14,
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"elements": [
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"formula_full": "Nd2 Gd2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557785",
"created_at": "2022-09-04T15:55:40.167095Z",
"updated_at": "2022-09-04T15:55:40.167117Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.727247 -1.926905 0.000000\n7.727247 1.926905 0.000000\n-1.465541 0.000000 9.466149\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.605633 0.605633 0.441260 Er\n0.394367 0.394367 0.558740 Er\n0.193346 0.193346 0.167793 Gd\n0.806654 0.806654 0.832207 Gd\n0.093353 0.093353 0.306382 N\n0.906647 0.906647 0.693618 N\n0.461047 0.461047 0.362340 O\n0.538953 0.538953 0.637660 O\n0.367290 0.367290 0.031355 S\n0.632710 0.632710 0.968645 S\n0.785286 0.785286 0.354052 Se\n0.214714 0.214714 0.645948 Se\n0.948436 0.948436 0.236055 Tb\n0.051564 0.051564 0.763945 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",
"formula_reduced": "TbGdErSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1557735",
"created_at": "2022-09-04T15:55:40.166518Z",
"updated_at": "2022-09-04T15:55:40.166542Z",
"structure_string": "Gd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.704728 -1.917181 0.000000\n7.704728 1.917181 0.000000\n-1.574974 0.000000 9.461760\nEr Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.052627 0.052627 0.261062 Er\n0.947373 0.947373 0.738938 Er\n0.808981 0.808981 0.335119 Gd\n0.191019 0.191019 0.664881 Gd\n0.393905 0.393905 0.059174 Ho\n0.606095 0.606095 0.940826 Ho\n0.908534 0.908534 0.196481 N\n0.091466 0.091466 0.803519 N\n0.540004 0.540004 0.138716 O\n0.459996 0.459996 0.861284 O\n0.631477 0.631477 0.464094 S\n0.368523 0.368523 0.535906 S\n0.215114 0.215114 0.147855 Se\n0.784886 0.784886 0.852145 Se\n",
"nsites": 14,
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"elements": [
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],
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"volume": 279.5260910336744,
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"formula_full": "Gd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558060",
"created_at": "2022-09-04T15:55:41.820232Z",
"updated_at": "2022-09-04T15:55:41.820260Z",
"structure_string": "Nd2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.575757 -1.964747 0.000000\n7.575757 1.964747 0.000000\n-0.480306 0.000000 9.440068\nDy Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.784833 0.784833 0.313389 Dy\n0.215167 0.215167 0.686611 Dy\n0.386605 0.386605 0.045202 Ho\n0.613395 0.613395 0.954798 Ho\n0.888888 0.888888 0.169633 N\n0.111112 0.111112 0.830367 N\n0.028361 0.028361 0.277376 Nd\n0.971639 0.971639 0.722624 Nd\n0.528517 0.528517 0.144225 O\n0.471483 0.471483 0.855775 O\n0.205406 0.205406 0.155834 S\n0.794594 0.794594 0.844166 S\n0.377590 0.377590 0.495407 Se\n0.622410 0.622410 0.504593 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.240884318416956,
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"volume_molar": 12.08817267624681,
"formula_full": "Nd2 Dy2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "NdDyHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
}
]
}