CaDy3Ag4
Alexandria ALEXAlex-ID: agm017341164 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_410_spg12
CaDy3Ag4
2025-03-02 07:18:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017341164).
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 agm017341164
data_agm017341164
_cell_length_a 8.97664
_cell_length_b 8.97664
_cell_length_c 8.97664
_cell_angle_alpha 33.29918
_cell_angle_beta 33.29918
_cell_angle_gamma 33.29918
_cell_volume 194.11650
_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
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.74966 0.74966 0.74966 1.00000
Dy2 Dy 0.25034 0.25034 0.25034 1.00000
Dy3 Dy 0.50000 0.50000 0.50000 1.00000
Ag1 Ag 0.12781 0.12781 0.12781 1.00000
Ag2 Ag 0.62246 0.62246 0.62246 1.00000
Ag3 Ag 0.87219 0.87219 0.87219 1.00000
Ag4 Ag 0.37754 0.37754 0.37754 1.00000
