DyEr4N5
Alexandria ALEXAlex-ID: agm059986322 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_236_spg79
DyEr4N5
2024-10-24 00:27:39.978140
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059986322).
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 agm059986322
data_agm059986322
_cell_length_a 5.95309
_cell_length_b 5.95309
_cell_length_c 5.95309
_cell_angle_alpha 99.59429
_cell_angle_beta 99.59429
_cell_angle_gamma 131.80973
_cell_volume 143.54984
_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
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.19965 0.40011 0.59976 1.00000
Er2 Er 0.40011 0.80035 0.20046 1.00000
Er3 Er 0.59989 0.19965 0.79954 1.00000
Er4 Er 0.80035 0.59989 0.40024 1.00000
N1 N 0.69835 0.89935 0.59769 1.00000
N2 N 0.89935 0.30165 0.20100 1.00000
N3 N 0.10065 0.69835 0.79900 1.00000
N4 N 0.30165 0.10065 0.40231 1.00000
N5 N 0.50000 0.50000 0.00000 1.00000
