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{
"id": "oqmd-1557238",
"created_at": "2022-09-04T15:55:45.634974Z",
"updated_at": "2022-09-04T15:55:45.634994Z",
"structure_string": "Nd2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.823720 -1.965667 0.000000\n7.823720 1.965667 0.000000\n-1.290428 0.000000 9.552894\nGd N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.197326 0.197326 0.171208 Gd\n0.802674 0.802674 0.828792 Gd\n0.097150 0.097150 0.308772 N\n0.902850 0.902850 0.691228 N\n0.950863 0.950863 0.227310 Nd\n0.049137 0.049137 0.772690 Nd\n0.462372 0.462372 0.360572 O\n0.537628 0.537628 0.639428 O\n0.365014 0.365014 0.020854 S\n0.634986 0.634986 0.979146 S\n0.785981 0.785981 0.353098 Se\n0.214019 0.214019 0.646902 Se\n0.606879 0.606879 0.442913 Y\n0.393121 0.393121 0.557087 Y\n",
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{
"id": "oqmd-1557332",
"created_at": "2022-09-04T15:55:48.241752Z",
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"structure_string": "Nd2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.823097 -1.963427 0.000000\n7.823097 1.963427 0.000000\n-1.284494 0.000000 9.545584\nGd N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.392249 0.392249 0.057543 Gd\n0.607751 0.607751 0.942457 Gd\n0.902412 0.902412 0.194576 N\n0.097588 0.097588 0.805424 N\n0.048693 0.048693 0.274948 Nd\n0.951307 0.951307 0.725052 Nd\n0.537178 0.537178 0.140981 O\n0.462822 0.462822 0.859019 O\n0.637068 0.637068 0.479508 S\n0.362932 0.362932 0.520492 S\n0.213821 0.213821 0.150179 Se\n0.786179 0.786179 0.849821 Se\n0.802064 0.802064 0.329632 Y\n0.197936 0.197936 0.670368 Y\n",
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"formula_full": "Nd2 Gd2 Y2 Se2 S2 N2 O2",
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"spacegroup": 12
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{
"id": "oqmd-1557356",
"created_at": "2022-09-04T15:55:48.315663Z",
"updated_at": "2022-09-04T15:55:48.315675Z",
"structure_string": "Nd2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.662994 -1.969459 0.000000\n7.662994 1.969459 0.000000\n-1.628720 0.000000 9.764148\nGd N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.611118 0.611118 0.448477 Gd\n0.388882 0.388882 0.551523 Gd\n0.095321 0.095321 0.315952 N\n0.904679 0.904679 0.684048 N\n0.197952 0.197952 0.177402 Nd\n0.802048 0.802048 0.822598 Nd\n0.460665 0.460665 0.363606 O\n0.539335 0.539335 0.636394 O\n0.786714 0.786714 0.354371 S\n0.213286 0.213286 0.645629 S\n0.374343 0.374343 0.034060 Se\n0.625657 0.625657 0.965940 Se\n0.949395 0.949395 0.247676 Y\n0.050605 0.050605 0.752324 Y\n",
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"density": 5.9884513187889965,
"density_atomic": 0.047502695801635145,
"volume": 294.720115642744,
"volume_molar": 12.677471580029161,
"formula_full": "Nd2 Gd2 Y2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558015",
"created_at": "2022-09-04T15:55:40.854054Z",
"updated_at": "2022-09-04T15:55:40.854082Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.833782 -1.956571 0.000000\n7.833782 1.956571 0.000000\n-1.690966 0.000000 9.711884\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.393822 0.393822 0.057827 Gd\n0.606178 0.606178 0.942173 Gd\n0.909984 0.909984 0.194445 N\n0.090016 0.090016 0.805555 N\n0.810906 0.810906 0.336236 Nd\n0.189094 0.189094 0.663764 Nd\n0.540313 0.540313 0.137040 O\n0.459687 0.459687 0.862960 O\n0.631031 0.631031 0.459846 S\n0.368969 0.368969 0.540154 S\n0.216127 0.216127 0.146476 Se\n0.783873 0.783873 0.853524 Se\n0.054085 0.054085 0.257849 Tb\n0.945915 0.945915 0.742151 Tb\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558029",
"created_at": "2022-09-04T15:55:42.312821Z",
"updated_at": "2022-09-04T15:55:42.312841Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.830928 -1.966890 0.000000\n7.830928 1.966890 0.000000\n-1.232771 0.000000 9.564223\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.197689 0.197689 0.170632 Gd\n0.802311 0.802311 0.829368 Gd\n0.098218 0.098218 0.309605 N\n0.901782 0.901782 0.690395 N\n0.952893 0.952893 0.227207 Nd\n0.047107 0.047107 0.772793 Nd\n0.463941 0.463941 0.360426 O\n0.536059 0.536059 0.639574 O\n0.366562 0.366562 0.019947 S\n0.633438 0.633438 0.980053 S\n0.786750 0.786750 0.350653 Se\n0.213250 0.213250 0.649347 Se\n0.607307 0.607307 0.443821 Tb\n0.392693 0.392693 0.556179 Tb\n",
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"elements": [
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558124",
"created_at": "2022-09-04T15:55:42.373222Z",
"updated_at": "2022-09-04T15:55:42.373242Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.876457 -1.954072 0.000000\n7.876457 1.954072 0.000000\n-1.577291 0.000000 9.646629\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.949102 0.949102 0.232192 Gd\n0.050898 0.050898 0.767808 Gd\n0.093450 0.093450 0.294652 N\n0.906550 0.906550 0.705348 N\n0.609986 0.609986 0.441487 Nd\n0.390014 0.390014 0.558513 Nd\n0.461161 0.461161 0.355874 O\n0.538839 0.538839 0.644126 O\n0.364842 0.364842 0.031294 S\n0.635158 0.635158 0.968706 S\n0.784537 0.784537 0.341566 Se\n0.215463 0.215463 0.658434 Se\n0.191783 0.191783 0.161705 Tb\n0.808217 0.808217 0.838295 Tb\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558249",
"created_at": "2022-09-04T15:55:42.738638Z",
"updated_at": "2022-09-04T15:55:42.738672Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.675305 -1.970096 0.000000\n7.675305 1.970096 0.000000\n-1.573273 0.000000 9.784250\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.388563 0.388563 0.051032 Gd\n0.611437 0.611437 0.948968 Gd\n0.904097 0.904097 0.182396 N\n0.095903 0.095903 0.817604 N\n0.802318 0.802318 0.322819 Nd\n0.197682 0.197682 0.677181 Nd\n0.538583 0.538583 0.136056 O\n0.461417 0.461417 0.863944 O\n0.213526 0.213526 0.147426 S\n0.786474 0.786474 0.852574 S\n0.625332 0.625332 0.466072 Se\n0.374668 0.374668 0.533928 Se\n0.049609 0.049609 0.251839 Tb\n0.950391 0.950391 0.748161 Tb\n",
"nsites": 14,
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},
{
"id": "oqmd-1558195",
"created_at": "2022-09-04T15:55:41.991400Z",
"updated_at": "2022-09-04T15:55:41.991430Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.839037 -1.965990 0.000000\n7.839037 1.965990 0.000000\n-1.230963 0.000000 9.555580\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.608177 0.608177 0.444032 Gd\n0.391823 0.391823 0.555968 Gd\n0.098627 0.098627 0.308250 N\n0.901373 0.901373 0.691750 N\n0.953258 0.953258 0.226448 Nd\n0.046742 0.046742 0.773552 Nd\n0.464211 0.464211 0.359467 O\n0.535789 0.535789 0.640533 O\n0.366365 0.366365 0.019238 S\n0.633635 0.633635 0.980762 S\n0.786514 0.786514 0.347234 Se\n0.213486 0.213486 0.652766 Se\n0.197131 0.197131 0.169635 Tb\n0.802869 0.802869 0.830365 Tb\n",
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},
{
"id": "oqmd-1558233",
"created_at": "2022-09-04T15:55:42.145459Z",
"updated_at": "2022-09-04T15:55:42.145474Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.675010 -1.972391 0.000000\n7.675010 1.972391 0.000000\n-1.451681 0.000000 9.744770\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.952527 0.952527 0.245405 Gd\n0.047473 0.047473 0.754595 Gd\n0.097707 0.097707 0.319936 N\n0.902293 0.902293 0.680064 N\n0.200778 0.200778 0.179700 Nd\n0.799222 0.799222 0.820300 Nd\n0.462743 0.462743 0.363726 O\n0.537257 0.537257 0.636274 O\n0.788279 0.788279 0.354491 S\n0.211721 0.211721 0.645509 S\n0.374992 0.374992 0.028902 Se\n0.625008 0.625008 0.971098 Se\n0.611051 0.611051 0.449772 Tb\n0.388949 0.388949 0.550228 Tb\n",
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"spacegroup": 12
},
{
"id": "oqmd-1558043",
"created_at": "2022-09-04T15:55:41.363814Z",
"updated_at": "2022-09-04T15:55:41.363849Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.705702 -1.970554 0.000000\n7.705702 1.970554 0.000000\n-1.450822 0.000000 9.718442\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.953451 0.953451 0.237274 Gd\n0.046549 0.046549 0.762726 Gd\n0.099250 0.099250 0.308032 N\n0.900750 0.900750 0.691968 N\n0.614608 0.614608 0.448713 Nd\n0.385392 0.385392 0.551287 Nd\n0.462616 0.462616 0.356407 O\n0.537384 0.537384 0.643593 O\n0.787053 0.787053 0.341094 S\n0.212947 0.212947 0.658906 S\n0.370071 0.370071 0.024123 Se\n0.629929 0.629929 0.975877 Se\n0.200490 0.200490 0.176441 Tb\n0.799510 0.799510 0.823559 Tb\n",
"nsites": 14,
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"elements": [
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"volume": 295.1394020068545,
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.337535720343184,
"spacegroup": 12
},
{
"id": "oqmd-1558181",
"created_at": "2022-09-04T15:55:41.565438Z",
"updated_at": "2022-09-04T15:55:41.565462Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.698245 -1.969571 0.000000\n7.698245 1.969571 0.000000\n-1.491898 0.000000 9.735319\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.199999 0.199999 0.175528 Gd\n0.800001 0.800001 0.824472 Gd\n0.098496 0.098496 0.308023 N\n0.901504 0.901504 0.691977 N\n0.614471 0.614471 0.448702 Nd\n0.385529 0.385529 0.551298 Nd\n0.462327 0.462327 0.356337 O\n0.537673 0.537673 0.643663 O\n0.787392 0.787392 0.341861 S\n0.212608 0.212608 0.658139 S\n0.371181 0.371181 0.026397 Se\n0.628819 0.628819 0.973603 Se\n0.953202 0.953202 0.239152 Tb\n0.046798 0.046798 0.760848 Tb\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
"formation_energy": -2.336306594628898,
"spacegroup": 12
},
{
"id": "oqmd-1558198",
"created_at": "2022-09-04T15:55:41.626956Z",
"updated_at": "2022-09-04T15:55:41.626984Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.833626 -1.960004 0.000000\n7.833626 1.960004 0.000000\n-1.634112 0.000000 9.692861\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.053843 0.053843 0.258653 Gd\n0.946157 0.946157 0.741347 Gd\n0.909285 0.909285 0.192505 N\n0.090715 0.090715 0.807495 N\n0.809839 0.809839 0.334765 Nd\n0.190161 0.190161 0.665235 Nd\n0.540035 0.540035 0.136051 O\n0.459965 0.459965 0.863949 O\n0.631151 0.631151 0.461848 S\n0.368849 0.368849 0.538152 S\n0.215980 0.215980 0.145029 Se\n0.784020 0.784020 0.854971 Se\n0.394402 0.394402 0.058034 Tb\n0.605598 0.605598 0.941966 Tb\n",
"nsites": 14,
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"elements": [
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],
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"volume_molar": 12.803380078984535,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
}
]
}