Hf(PaCo)2
Alexandria ALEXAlex-ID: agm005908087 · 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
AB2C2_2434_spg12
Hf2Co PaCo Pa
2023-08-05 15:29:26.599881
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005908087).
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 agm005908087
data_agm005908087
_cell_length_a 3.45661
_cell_length_b 6.08463
_cell_length_c 9.72567
_cell_angle_alpha 77.67424
_cell_angle_beta 79.75024
_cell_angle_gamma 73.56029
_cell_volume 190.15374
_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
Hf1 Hf 0.70065 0.96064 0.63829 1.00000
Hf2 Hf 0.29935 0.03936 0.36171 1.00000
Pa1 Pa 0.05476 0.60096 0.28955 1.00000
Pa2 Pa 0.17690 0.73042 0.91503 1.00000
Pa3 Pa 0.94524 0.39904 0.71045 1.00000
Pa4 Pa 0.82310 0.26958 0.08497 1.00000
Co1 Co 0.38256 0.67213 0.56197 1.00000
Co2 Co 0.47755 0.16094 0.88492 1.00000
Co3 Co 0.61744 0.32787 0.43803 1.00000
Co4 Co 0.52245 0.83906 0.11508 1.00000
获取直接链接