Sr7HRh4
Alexandria ALEXAlex-ID: agm006552154 · 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
AB4C7_133_spg12
Sr2H2Rh Sr5Rh2 SrRh2
2024-03-02 14:08:22.223248
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006552154).
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 agm006552154
data_agm006552154
_cell_length_a 8.25056
_cell_length_b 8.25056
_cell_length_c 10.49608
_cell_angle_alpha 69.92886
_cell_angle_beta 69.92886
_cell_angle_gamma 33.99468
_cell_volume 372.87111
_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
Sr1 Sr 0.35970 0.35970 0.98336 1.00000
Sr2 Sr 0.64030 0.64030 0.01664 1.00000
Sr3 Sr 0.17694 0.17694 0.31776 1.00000
Sr4 Sr 0.82306 0.82306 0.68224 1.00000
Sr5 Sr 0.09453 0.09453 0.71760 1.00000
Sr6 Sr 0.50000 0.50000 0.50000 1.00000
Sr7 Sr 0.90547 0.90547 0.28240 1.00000
H1 H 0.00000 0.00000 0.50000 1.00000
Rh1 Rh 0.24010 0.24010 0.82009 1.00000
Rh2 Rh 0.75990 0.75990 0.17991 1.00000
Rh3 Rh 0.72126 0.72126 0.47377 1.00000
Rh4 Rh 0.27874 0.27874 0.52623 1.00000
获取直接链接