CdPd2Au7
Alexandria ALEXAlex-ID: agm003508024 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_226_spg65
CdPd2Au5 PdAu17 CdPdAu2
2022-03-13 06:22:25.656137
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003508024).
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 agm003508024
data_agm003508024
_cell_length_a 4.51808
_cell_length_b 7.75714
_cell_length_c 7.75715
_cell_angle_alpha 122.77931
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 228.57631
_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
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.70238 0.29762 1.00000
Pd2 Pd 0.50000 0.29762 0.70238 1.00000
Au1 Au 0.00000 0.80034 0.19966 1.00000
Au2 Au 0.00000 0.19966 0.80034 1.00000
Au3 Au 0.50000 0.07688 0.29331 1.00000
Au4 Au 0.50000 0.92312 0.70669 1.00000
Au5 Au 0.50000 0.29330 0.07688 1.00000
Au6 Au 0.50000 0.70670 0.92312 1.00000
Au7 Au 0.50000 0.50000 0.50000 1.00000
获取直接链接