SnRh
Alexandria ALEXAlex-ID: agm009010408 · 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
AB_11306_spg12
SnRh
2024-03-07 16:00:37.728193
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009010408).
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 agm009010408
data_agm009010408
_cell_length_a 7.21724
_cell_length_b 7.21724
_cell_length_c 9.80338
_cell_angle_alpha 67.60840
_cell_angle_beta 67.60840
_cell_angle_gamma 34.18069
_cell_volume 263.11471
_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
Sn1 Sn 0.39245 0.39245 0.16151 1.00000
Sn2 Sn 0.60755 0.60755 0.83849 1.00000
Sn3 Sn 0.00000 0.00000 0.50000 1.00000
Sn4 Sn 0.67691 0.67691 0.45854 1.00000
Sn5 Sn 0.32309 0.32309 0.54146 1.00000
Sn6 Sn 0.86069 0.86069 0.85819 1.00000
Sn7 Sn 0.13931 0.13931 0.14181 1.00000
Rh1 Rh 0.23242 0.23242 0.84847 1.00000
Rh2 Rh 0.54019 0.54019 0.31217 1.00000
Rh3 Rh 0.88745 0.88745 0.33973 1.00000
Rh4 Rh 0.76758 0.76758 0.15153 1.00000
Rh5 Rh 0.11255 0.11255 0.66027 1.00000
Rh6 Rh 0.00000 0.00000 0.00000 1.00000
Rh7 Rh 0.45981 0.45981 0.68783 1.00000
获取直接链接