FeH8Os3
Alexandria ALEXAlex-ID: agm006447751 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_238_spg8
FeH H2 Os
2024-02-29 16:54:52.823674
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006447751).
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 agm006447751
data_agm006447751
_cell_length_a 5.41079
_cell_length_b 5.41079
_cell_length_c 6.20269
_cell_angle_alpha 75.41618
_cell_angle_beta 75.41618
_cell_angle_gamma 31.55122
_cell_volume 91.71056
_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
Fe1 Fe 0.30900 0.30900 0.33974 1.00000
H1 H 0.47556 0.47556 0.19725 1.00000
H2 H 0.36186 0.36186 0.95908 1.00000
H3 H 0.90627 0.90627 0.82898 1.00000
H4 H 0.14254 0.14254 0.82997 1.00000
H5 H 0.79106 0.79106 0.20189 1.00000
H6 H 0.09895 0.09895 0.17035 1.00000
H7 H 0.53310 0.53310 0.83173 1.00000
H8 H 0.66200 0.66200 0.99599 1.00000
Os1 Os 0.41158 0.41158 0.67689 1.00000
Os2 Os 0.69900 0.69900 0.68633 1.00000
Os3 Os 0.60738 0.60738 0.31213 1.00000
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