CoBiH6
Alexandria ALEXAlex-ID: agm076259147 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_2220_spg44
BiH2 BiH9 CoH
2025-06-26 14:59:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076259147).
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 agm076259147
data_agm076259147
_cell_length_a 4.23613
_cell_length_b 4.77911
_cell_length_c 4.76324
_cell_angle_alpha 80.17207
_cell_angle_beta 63.70536
_cell_angle_gamma 63.80777
_cell_volume 77.53929
_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
Co1 Co 0.36668 0.63227 0.50833 1.00000
Bi1 Bi 0.15056 0.34889 0.22216 1.00000
H1 H 0.44128 0.88620 0.60994 1.00000
H2 H 0.93700 0.73471 0.76198 1.00000
H3 H 0.48616 0.73259 0.16931 1.00000
H4 H 0.49011 0.29351 0.60616 1.00000
H5 H 0.93775 0.88486 0.61054 1.00000
H6 H 0.44046 0.73698 0.76157 1.00000
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