NdDyY5Er2
Alexandria ALEXAlex-ID: agm005146450 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_204_spg36
Dy5Er4 Y5Er NdY2 YEr5
2023-01-26 02:18:44.337085
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146450).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005146450
data_agm005146450
_cell_length_a 5.62256
_cell_length_b 10.37429
_cell_length_c 10.53619
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.72290
_cell_volume 591.58153
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1 Nd 0.58472 0.16943 0.94855 1.00000
Nd2 Nd 0.41528 0.83057 0.44855 1.00000
Dy1 Dy 0.80296 0.60592 0.51371 1.00000
Dy2 Dy 0.19704 0.39408 0.01371 1.00000
Y1 Y 0.38438 0.76876 0.02329 1.00000
Y2 Y 0.72097 0.44193 0.81834 1.00000
Y3 Y 0.47836 0.95672 0.73633 1.00000
Y4 Y 0.29842 0.59684 0.70768 1.00000
Y5 Y 0.98290 0.96581 0.52252 1.00000
Y6 Y 0.61562 0.23124 0.52329 1.00000
Y7 Y 0.27903 0.55807 0.31834 1.00000
Y8 Y 0.52164 0.04328 0.23633 1.00000
Y9 Y 0.70158 0.40316 0.20768 1.00000
Y10 Y 0.01710 0.03419 0.02252 1.00000
Er1 Er 0.88725 0.77450 0.81808 1.00000
Er2 Er 0.11145 0.22289 0.73549 1.00000
Er3 Er 0.11275 0.22550 0.31808 1.00000
Er4 Er 0.88855 0.77711 0.23549 1.00000
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