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{
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"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.599576 -1.952340 0.000000\n7.599576 1.952340 0.000000\n-1.585464 0.000000 9.695836\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.948757 0.948757 0.249843 Dy\n0.051243 0.051243 0.750157 Dy\n0.609249 0.609249 0.448112 Er\n0.390751 0.390751 0.551888 Er\n0.094693 0.094693 0.320561 N\n0.905307 0.905307 0.679439 N\n0.197940 0.197940 0.180091 Nd\n0.802060 0.802060 0.819909 Nd\n0.460335 0.460335 0.366267 O\n0.539665 0.539665 0.633733 O\n0.786600 0.786600 0.359025 S\n0.213400 0.213400 0.640975 S\n0.374668 0.374668 0.034115 Se\n0.625332 0.625332 0.965885 Se\n",
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{
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"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.801331 -1.928851 -0.006324\n7.801331 1.928851 -0.006324\n-1.633607 0.000000 9.554308\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.051562 0.051562 0.267549 Er\n0.948438 0.948438 0.732451 Er\n0.809502 0.809502 0.340682 Ho\n0.190498 0.190498 0.659317 Ho\n0.908240 0.908240 0.209845 N\n0.091760 0.091760 0.790155 N\n0.389732 0.389732 0.059214 Nd\n0.610269 0.610269 0.940787 Nd\n0.540142 0.540142 0.146551 O\n0.459858 0.459858 0.853449 O\n0.634635 0.634635 0.466170 S\n0.365364 0.365364 0.533829 S\n0.215391 0.215391 0.160792 Se\n0.784609 0.784609 0.839209 Se\n",
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{
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"structure_string": "Gd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.551042 -1.928853 0.000000\n7.551042 1.928853 0.000000\n-1.561543 0.000000 9.560956\nEr Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.949056 0.949056 0.246298 Er\n0.050944 0.050944 0.753702 Er\n0.197988 0.197988 0.178858 Gd\n0.802012 0.802012 0.821142 Gd\n0.610561 0.610561 0.446440 Ho\n0.389439 0.389439 0.553560 Ho\n0.095195 0.095195 0.313934 N\n0.904805 0.904805 0.686066 N\n0.460033 0.460033 0.363563 O\n0.539967 0.539967 0.636437 O\n0.785768 0.785768 0.353339 S\n0.214232 0.214232 0.646661 S\n0.371605 0.371605 0.031707 Se\n0.628395 0.628395 0.968293 Se\n",
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{
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"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.794851 -1.954256 0.000000\n7.794851 1.954256 0.000000\n-1.177423 0.000000 9.481692\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.605464 0.605464 0.442029 Er\n0.394536 0.394536 0.557971 Er\n0.097286 0.097286 0.311584 N\n0.902714 0.902714 0.688416 N\n0.951446 0.951446 0.227363 Nd\n0.048554 0.048554 0.772637 Nd\n0.463288 0.463288 0.362914 O\n0.536712 0.536712 0.637086 O\n0.364983 0.364983 0.019310 S\n0.635017 0.635017 0.980690 S\n0.785775 0.785775 0.353852 Se\n0.214225 0.214225 0.646148 Se\n0.197962 0.197962 0.172662 Tb\n0.802038 0.802038 0.827338 Tb\n",
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{
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"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.564812 -1.960369 0.000000\n7.564812 1.960369 0.000000\n-0.511487 0.000000 9.429800\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.214514 0.214514 0.187382 Dy\n0.785486 0.785486 0.812618 Dy\n0.612725 0.612725 0.454047 Er\n0.387275 0.387275 0.545953 Er\n0.110185 0.110185 0.330463 N\n0.889815 0.889815 0.669537 N\n0.970075 0.970075 0.223831 Nd\n0.029925 0.029925 0.776169 Nd\n0.470845 0.470845 0.357393 O\n0.529155 0.529155 0.642607 O\n0.794208 0.794208 0.345966 S\n0.205792 0.205792 0.654034 S\n0.623481 0.623481 0.002784 Se\n0.376519 0.376519 0.997216 Se\n",
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{
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"structure_string": "Nd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.612582 -1.957385 0.000000\n7.612582 1.957385 0.000000\n-1.581269 0.000000 9.691694\nEr N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.391046 0.391046 0.052200 Er\n0.608954 0.608954 0.947800 Er\n0.905213 0.905213 0.179618 N\n0.094787 0.094787 0.820382 N\n0.801856 0.801856 0.319742 Nd\n0.198144 0.198144 0.680258 Nd\n0.539604 0.539604 0.133591 O\n0.460396 0.460396 0.866409 O\n0.213550 0.213550 0.141146 S\n0.786450 0.786450 0.858854 S\n0.625388 0.625388 0.466259 Se\n0.374612 0.374612 0.533741 Se\n0.051479 0.051479 0.251045 Y\n0.948521 0.948521 0.748955 Y\n",
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{
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"structure_string": "Nd2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.629398 -1.956618 0.000000\n7.629398 1.956618 0.000000\n-1.696155 0.000000 9.758579\nEr Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.051586 0.051586 0.249508 Er\n0.948414 0.948414 0.750492 Er\n0.388540 0.388540 0.051733 Gd\n0.611460 0.611460 0.948267 Gd\n0.906235 0.906235 0.185273 N\n0.093765 0.093765 0.814727 N\n0.803987 0.803987 0.324512 Nd\n0.196013 0.196013 0.675488 Nd\n0.540261 0.540261 0.136862 O\n0.459739 0.459739 0.863138 O\n0.213723 0.213723 0.146015 S\n0.786277 0.786277 0.853985 S\n0.624615 0.624615 0.462155 Se\n0.375385 0.375385 0.537845 Se\n",
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{
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"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.542145 -1.918539 0.000000\n7.542145 1.918539 0.000000\n-1.537799 0.000000 9.495839\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.050019 0.050019 0.256245 Er\n0.949981 0.949981 0.743755 Er\n0.801684 0.801684 0.321730 Ho\n0.198316 0.198316 0.678270 Ho\n0.903940 0.903940 0.189826 N\n0.096060 0.096060 0.810174 N\n0.540132 0.540132 0.139168 O\n0.459868 0.459868 0.860832 O\n0.214835 0.214835 0.151042 S\n0.785165 0.785165 0.848958 S\n0.630193 0.630193 0.471056 Se\n0.369807 0.369807 0.528944 Se\n0.387823 0.387823 0.053904 Y\n0.612177 0.612177 0.946096 Y\n",
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{
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"structure_string": "Nd2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.799089 -1.960911 0.000000\n7.799089 1.960911 0.000000\n-1.187032 0.000000 9.498998\nEr Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.394679 0.394679 0.057249 Er\n0.605321 0.605321 0.942751 Er\n0.802038 0.802038 0.326954 Gd\n0.197962 0.197962 0.673046 Gd\n0.902830 0.902830 0.187710 N\n0.097170 0.097170 0.812290 N\n0.048348 0.048348 0.272021 Nd\n0.951652 0.951652 0.727979 Nd\n0.536552 0.536552 0.136991 O\n0.463448 0.463448 0.863009 O\n0.633971 0.633971 0.480353 S\n0.366029 0.366029 0.519647 S\n0.213877 0.213877 0.145220 Se\n0.786123 0.786123 0.854780 Se\n",
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{
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"structure_string": "Na1 Al6 Fe3 Si6 B3 O30 F1\n1.0\n0.000000 0.000000 -7.132008\n-7.929064 4.577847 2.377336\n7.929064 4.577847 2.377336\nAl B F Fe Na O Si\n6 3 1 3 1 30 6\ndirect\n0.654757 0.556613 0.218587 Al\n0.436169 0.781413 0.338026 Al\n0.098144 0.661974 0.443387 Al\n0.654757 0.218587 0.556613 Al\n0.098144 0.443387 0.661974 Al\n0.436169 0.338026 0.781413 Al\n0.441402 0.668732 0.000000 B\n0.772670 0.331268 0.331268 B\n0.441402 0.000000 0.668732 B\n0.223844 0.000000 0.000000 F\n0.454378 0.204168 0.000000 Fe\n0.454378 0.000000 0.204168 Fe\n0.250210 0.795833 0.795833 Fe\n0.786063 0.000000 0.000000 Na\n0.001356 0.269629 0.000000 O\n0.614200 0.398321 0.000000 O\n0.822118 0.715133 0.000000 O\n0.463219 0.818940 0.000000 O\n0.501565 0.669309 0.149515 O\n0.644280 0.181060 0.181060 O\n0.413434 0.379898 0.183992 O\n0.229442 0.816008 0.195906 O\n0.001356 0.000000 0.269629 O\n0.208577 0.574060 0.282530 O\n0.106985 0.284866 0.284866 O\n0.926048 0.717470 0.291530 O\n0.832257 0.480205 0.330691 O\n0.413434 0.183992 0.379898 O\n0.614200 0.000000 0.398321 O\n0.634518 0.708471 0.425940 O\n0.832257 0.330691 0.480205 O\n0.352052 0.850485 0.519794 O\n0.208577 0.282530 0.574060 O\n0.215880 0.601679 0.601679 O\n0.033536 0.804094 0.620101 O\n0.501565 0.149515 0.669309 O\n0.634518 0.425940 0.708471 O\n0.822118 0.000000 0.715133 O\n0.926048 0.291530 0.717470 O\n0.731728 0.730372 0.730372 O\n0.033536 0.620101 0.804094 O\n0.229442 0.195906 0.816008 O\n0.463219 0.000000 0.818940 O\n0.352052 0.519794 0.850485 O\n0.189062 0.382635 0.190091 Si\n0.998972 0.809910 0.192544 Si\n0.189062 0.190091 0.382635 Si\n0.806428 0.807457 0.617366 Si\n0.806428 0.617366 0.807457 Si\n0.998972 0.192544 0.809910 Si\n",
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{
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"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",
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{
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"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.689759 -1.916892 0.000000\n7.689759 1.916892 0.000000\n-1.460396 0.000000 9.387581\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.605926 0.605926 0.440351 Er\n0.394074 0.394074 0.559649 Er\n0.193638 0.193638 0.167613 Ho\n0.806362 0.806362 0.832387 Ho\n0.093794 0.093794 0.303179 N\n0.906206 0.906206 0.696821 N\n0.461024 0.461024 0.361720 O\n0.538976 0.538976 0.638280 O\n0.365439 0.365439 0.029647 S\n0.634561 0.634561 0.970353 S\n0.784937 0.784937 0.351351 Se\n0.215063 0.215063 0.648649 Se\n0.948548 0.948548 0.233673 Y\n0.051452 0.051452 0.766327 Y\n",
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"density_atomic": 0.05058642271090492,
"volume": 276.7541021828772,
"volume_molar": 11.9046582803765,
"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "YHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.46216078693842,
"spacegroup": 12
}
]
}