Rb3Cd2Au
Alexandria ALEXAlex-ID: agm040893540 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_819_spg62
Rb2Cd3 Rb2CdAu Rb
2025-04-15 08:55:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040893540).
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 agm040893540
data_agm040893540
_cell_length_a 4.94354
_cell_length_b 14.57664
_cell_length_c 14.93972
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1076.55881
_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
Rb1 Rb 0.25000 0.44104 0.37502 1.00000
Rb2 Rb 0.75000 0.55896 0.62498 1.00000
Rb3 Rb 0.75000 0.05896 0.87502 1.00000
Rb4 Rb 0.25000 0.94104 0.12498 1.00000
Rb5 Rb 0.25000 0.29349 0.71338 1.00000
Rb6 Rb 0.75000 0.70651 0.28662 1.00000
Rb7 Rb 0.75000 0.20651 0.21338 1.00000
Rb8 Rb 0.25000 0.79349 0.78662 1.00000
Rb9 Rb 0.25000 0.11129 0.44566 1.00000
Rb10 Rb 0.75000 0.88871 0.55434 1.00000
Rb11 Rb 0.75000 0.38871 0.94566 1.00000
Rb12 Rb 0.25000 0.61129 0.05434 1.00000
Cd1 Cd 0.25000 0.04444 0.68204 1.00000
Cd2 Cd 0.75000 0.95556 0.31796 1.00000
Cd3 Cd 0.75000 0.45556 0.18204 1.00000
Cd4 Cd 0.25000 0.54444 0.81796 1.00000
Cd5 Cd 0.25000 0.20409 0.02276 1.00000
Cd6 Cd 0.75000 0.79591 0.97724 1.00000
Cd7 Cd 0.75000 0.29591 0.52276 1.00000
Cd8 Cd 0.25000 0.70409 0.47724 1.00000
Au1 Au 0.25000 0.36802 0.12876 1.00000
Au2 Au 0.75000 0.63198 0.87124 1.00000
Au3 Au 0.75000 0.13198 0.62876 1.00000
Au4 Au 0.25000 0.86802 0.37124 1.00000
