ThRh4
Alexandria ALEXAlex-ID: agm005545346 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_112_spg74
ThRh3 Rh
2023-05-29 02:09:46.763531
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005545346).
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 agm005545346
data_agm005545346
_cell_length_a 4.31843
_cell_length_b 5.78728
_cell_length_c 7.78148
_cell_angle_alpha 111.83050
_cell_angle_beta 106.10994
_cell_angle_gamma 90.00000
_cell_volume 172.27445
_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
Th1 Th 0.89388 0.14388 0.78775 1.00000
Th2 Th 0.10612 0.85612 0.21225 1.00000
Rh1 Rh 0.11149 0.36149 0.22299 1.00000
Rh2 Rh 0.88851 0.63851 0.77701 1.00000
Rh3 Rh 0.50000 0.00000 0.00000 1.00000
Rh4 Rh 0.50000 0.50000 0.00000 1.00000
Rh5 Rh 0.69666 0.22085 0.39332 1.00000
Rh6 Rh 0.30334 0.77915 0.60668 1.00000
Rh7 Rh 0.30334 0.32753 0.60668 1.00000
Rh8 Rh 0.69666 0.67247 0.39332 1.00000
获取直接链接