As3Rh4
Alexandria ALEXAlex-ID: agm007947232 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4_149_spg156
AsRh2 As2Rh
2024-03-10 01:48:38.717588
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007947232).
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 agm007947232
data_agm007947232
_cell_length_a 4.27660
_cell_length_b 4.27660
_cell_length_c 9.60348
_cell_angle_alpha 90.55530
_cell_angle_beta 90.55530
_cell_angle_gamma 41.15082
_cell_volume 115.57304
_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
As1 As 0.14258 0.14258 0.32182 1.00000
As2 As 0.85742 0.85742 0.67818 1.00000
As3 As 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.72237 0.72237 0.12715 1.00000
Rh2 Rh 0.86354 0.86354 0.40948 1.00000
Rh3 Rh 0.13646 0.13646 0.59052 1.00000
Rh4 Rh 0.27763 0.27763 0.87285 1.00000
获取直接链接