NdDy6Er
Alexandria ALEXAlex-ID: agm005779809 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_724_spg2
Nd2Dy7 Dy7Er2 Nd3Dy5
2023-07-25 00:16:09.469068
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779809).
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 agm005779809
data_agm005779809
_cell_length_a 6.71403
_cell_length_b 6.53649
_cell_length_c 7.02183
_cell_angle_alpha 75.49975
_cell_angle_beta 60.76970
_cell_angle_gamma 89.88391
_cell_volume 257.70494
_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 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.09437 0.76825 0.48204 1.00000
Dy2 Dy 0.56820 0.72721 0.52819 1.00000
Dy3 Dy 0.43180 0.27279 0.47181 1.00000
Dy4 Dy 0.90563 0.23175 0.51796 1.00000
Dy5 Dy 0.54260 0.74722 0.00181 1.00000
Dy6 Dy 0.45740 0.25278 0.99819 1.00000
Er1 Er 0.00000 0.50000 0.00000 1.00000
获取直接链接