HoZn5H11
Alexandria ALEXAlex-ID: agm006559031 · 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
AB5C11_4_spg12
ZnH2 HoH3 Zn
2025-05-26 10:56:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006559031).
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 agm006559031
data_agm006559031
_cell_length_a 6.54253
_cell_length_b 6.54253
_cell_length_c 4.60137
_cell_angle_alpha 77.11190
_cell_angle_beta 102.88810
_cell_angle_gamma 86.35478
_cell_volume 185.82583
_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
Ho1 Ho 0.00000 0.00000 0.50000 1.00000
Zn1 Zn 0.63255 0.08422 0.87004 1.00000
Zn2 Zn 0.36745 0.91578 0.12996 1.00000
Zn3 Zn 0.08422 0.63255 0.12996 1.00000
Zn4 Zn 0.91578 0.36745 0.87004 1.00000
Zn5 Zn 0.50000 0.50000 0.50000 1.00000
H1 H 0.25124 0.74876 0.90304 1.00000
H2 H 0.74876 0.25124 0.09696 1.00000
H3 H 0.34343 0.12728 0.81518 1.00000
H4 H 0.65657 0.87272 0.18482 1.00000
H5 H 0.12728 0.34343 0.18482 1.00000
H6 H 0.87272 0.65657 0.81518 1.00000
H7 H 0.00000 0.00000 0.00000 1.00000
H8 H 0.32289 0.94283 0.44627 1.00000
H9 H 0.67711 0.05717 0.55373 1.00000
H10 H 0.94283 0.32289 0.55373 1.00000
H11 H 0.05717 0.67711 0.44627 1.00000
获取直接链接