Ba3Al2Rh7
Alexandria ALEXAlex-ID: agm024447761 · 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
A2B3C7_3_spg166
AlRh7 AlRh BaRh
2025-05-15 09:28:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024447761).
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 agm024447761
data_agm024447761
_cell_length_a 5.72679
_cell_length_b 5.72679
_cell_length_c 8.96566
_cell_angle_alpha 71.41023
_cell_angle_beta 108.58977
_cell_angle_gamma 119.96741
_cell_volume 236.83666
_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
Ba1 Ba 0.00000 0.00000 0.50000 1.00000
Ba2 Ba 0.14047 0.85953 0.92113 1.00000
Ba3 Ba 0.85953 0.14047 0.07887 1.00000
Al1 Al 0.33432 0.66568 0.50258 1.00000
Al2 Al 0.66568 0.33432 0.49742 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
Rh2 Rh 0.07973 0.42382 0.73171 1.00000
Rh3 Rh 0.57618 0.92027 0.73171 1.00000
Rh4 Rh 0.57635 0.42365 0.73202 1.00000
Rh5 Rh 0.92027 0.57618 0.26829 1.00000
Rh6 Rh 0.42365 0.57635 0.26798 1.00000
Rh7 Rh 0.42382 0.07973 0.26829 1.00000
获取直接链接