H8OsRh3
Alexandria ALEXAlex-ID: agm006534412 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_801_spg1
Os H8Rh3
2024-02-29 21:12:01.561046
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006534412).
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 agm006534412
data_agm006534412
_cell_length_a 4.79150
_cell_length_b 4.95758
_cell_length_c 4.75017
_cell_angle_alpha 81.54565
_cell_angle_beta 118.30912
_cell_angle_gamma 108.41027
_cell_volume 94.25687
_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
H1 H 0.05074 0.85814 0.70317 1.00000
H2 H 0.35737 0.12210 0.95673 1.00000
H3 H 0.45171 0.35250 0.34027 1.00000
H4 H 0.26129 0.85935 0.31994 1.00000
H5 H 0.69539 0.12892 0.62870 1.00000
H6 H 0.61668 0.75162 0.70566 1.00000
H7 H 0.67197 0.84572 0.10796 1.00000
H8 H 0.97963 0.12439 0.31283 1.00000
Os1 Os 0.97653 0.99180 0.97726 1.00000
Rh1 Rh 0.12539 0.48797 0.29869 1.00000
Rh2 Rh 0.47615 0.48738 0.97631 1.00000
Rh3 Rh 0.83715 0.49012 0.67249 1.00000
获取直接链接