Nd2Dy8Er3
Alexandria ALEXAlex-ID: agm005609907 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_539_spg55
Nd2Dy5Er2 Dy5Er4 Dy7Er2
2023-06-16 06:25:15.227751
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609907).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005609907
data_agm005609907
_cell_length_a 3.55480
_cell_length_b 12.20782
_cell_length_c 20.67317
_cell_angle_alpha 89.99988
_cell_angle_beta 110.09081
_cell_angle_gamma 90.00019
_cell_volume 842.54917
_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 0.76028 0.83260 0.12980 1.00000
Nd2 Nd 0.23972 0.16740 0.87020 1.00000
Nd3 Nd 0.23972 0.33260 0.37020 1.00000
Nd4 Nd 0.76028 0.66740 0.62980 1.00000
Dy1 Dy 0.96203 0.71032 0.98101 1.00000
Dy2 Dy 0.03797 0.28968 0.01899 1.00000
Dy3 Dy 0.03798 0.21032 0.51899 1.00000
Dy4 Dy 0.96202 0.78968 0.48101 1.00000
Dy5 Dy 0.77253 0.12177 0.13655 1.00000
Dy6 Dy 0.22747 0.87823 0.86345 1.00000
Dy7 Dy 0.22747 0.62177 0.36345 1.00000
Dy8 Dy 0.77253 0.37823 0.63655 1.00000
Dy9 Dy 0.59910 0.84986 0.29913 1.00000
Dy10 Dy 0.40090 0.15014 0.70087 1.00000
Dy11 Dy 0.40090 0.34986 0.20087 1.00000
Dy12 Dy 0.59910 0.65014 0.79913 1.00000
Dy13 Dy 0.66710 0.51652 0.08333 1.00000
Dy14 Dy 0.33290 0.48348 0.91667 1.00000
Dy15 Dy 0.33290 0.01652 0.41667 1.00000
Dy16 Dy 0.66710 0.98348 0.58333 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Er2 Er 0.00000 0.50000 0.50000 1.00000
Er3 Er 0.42557 0.62253 0.21263 1.00000
Er4 Er 0.57443 0.37747 0.78737 1.00000
Er5 Er 0.57443 0.12253 0.28737 1.00000
Er6 Er 0.42557 0.87747 0.71263 1.00000
