PrHo5Bi6
Alexandria ALEXAlex-ID: agm033459385 · 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
AB5C6_53_spg71
HoBi PrBi
2025-02-22 02:30:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033459385).
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 agm033459385
data_agm033459385
_cell_length_a 10.03851
_cell_length_b 10.03851
_cell_length_c 8.98591
_cell_angle_alpha 77.04092
_cell_angle_beta 102.95908
_cell_angle_gamma 154.12414
_cell_volume 384.58752
_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
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.83506 0.16494 0.16786 1.00000
Ho3 Ho 0.16494 0.83506 0.83214 1.00000
Ho4 Ho 0.83236 0.16764 0.66611 1.00000
Ho5 Ho 0.16764 0.83236 0.33389 1.00000
Bi1 Bi 0.32978 0.67022 0.91491 1.00000
Bi2 Bi 0.66646 0.33354 0.58304 1.00000
Bi3 Bi 0.67022 0.32978 0.08509 1.00000
Bi4 Bi 0.00107 0.99893 0.25876 1.00000
Bi5 Bi 0.99893 0.00107 0.74124 1.00000
Bi6 Bi 0.33354 0.66646 0.41696 1.00000
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