CdPd6Au5
Alexandria ALEXAlex-ID: agm068808317 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_48_spg12
CdPd3Au2 PdAu
2025-01-06 20:04:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm068808317).
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 agm068808317
data_agm068808317
_cell_length_a 4.87128
_cell_length_b 5.83622
_cell_length_c 7.09429
_cell_angle_alpha 90.00000
_cell_angle_beta 94.37961
_cell_angle_gamma 90.00000
_cell_volume 201.10067
_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 0.50000 1.00000
Pd1 Pd 0.16466 0.25031 0.83370 1.00000
Pd2 Pd 0.16466 0.74969 0.83370 1.00000
Pd3 Pd 0.50000 0.74975 0.50000 1.00000
Pd4 Pd 0.50000 0.25025 0.50000 1.00000
Pd5 Pd 0.83534 0.25031 0.16630 1.00000
Pd6 Pd 0.83534 0.74969 0.16630 1.00000
Au1 Au 0.33540 0.50000 0.16812 1.00000
Au2 Au 0.66355 0.00000 0.83356 1.00000
Au3 Au 0.00000 0.50000 0.50000 1.00000
Au4 Au 0.33645 0.00000 0.16644 1.00000
Au5 Au 0.66460 0.50000 0.83188 1.00000
获取直接链接