Ho3As2H
Alexandria ALEXAlex-ID: agm003418239 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1316_spg15
HoAs Ho HoH2
2022-02-13 07:56:03.895035
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003418239).
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 agm003418239
data_agm003418239
_cell_length_a 5.65576
_cell_length_b 8.08242
_cell_length_c 6.79938
_cell_angle_alpha 107.26629
_cell_angle_beta 114.57615
_cell_angle_gamma 90.00000
_cell_volume 267.17900
_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 0.46325 0.25000 1.00000 1.00000
Ho2 Ho 0.53675 0.75000 0.00000 1.00000
Ho3 Ho 0.16487 0.08311 0.33187 1.00000
Ho4 Ho 0.83300 0.41689 0.66813 1.00000
Ho5 Ho 0.16700 0.58311 0.33187 1.00000
Ho6 Ho 0.83513 0.91689 0.66813 1.00000
As1 As 0.67001 0.58446 0.33774 1.00000
As2 As 0.66774 0.08446 0.33774 1.00000
As3 As 0.33226 0.91554 0.66226 1.00000
As4 As 0.32999 0.41554 0.66226 1.00000
H1 H 0.95334 0.75000 1.00000 1.00000
H2 H 0.04666 0.25000 0.00000 1.00000
获取直接链接