Rb5(ZnRh)3
Alexandria ALEXAlex-ID: agm008293554 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C5_0_spg189
ZnRh Rb
2024-06-28 09:23:51.634510
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008293554).
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 agm008293554
data_agm008293554
_cell_length_a 10.29367
_cell_length_b 10.29367
_cell_length_c 4.60287
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 422.37667
_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 0.66667 0.33333 0.50000 1.00000
Rb2 Rb 0.33333 0.66667 0.50000 1.00000
Rb3 Rb 0.00000 0.26380 0.50000 1.00000
Rb4 Rb 0.26380 0.00000 0.50000 1.00000
Rb5 Rb 0.73620 0.73620 0.50000 1.00000
Zn1 Zn 0.00000 0.57799 0.00000 1.00000
Zn2 Zn 0.42201 0.42201 0.00000 1.00000
Zn3 Zn 0.57799 0.00000 0.00000 1.00000
Rh1 Rh 0.00000 0.64524 0.50000 1.00000
Rh2 Rh 0.64524 0.00000 0.50000 1.00000
Rh3 Rh 0.35476 0.35476 0.50000 1.00000
获取直接链接