HoMn2SiH8
Alexandria ALEXAlex-ID: agm007453903 · 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
ABC2D8_38_spg12
HoMnH5 Mn3Si SiH20 MnSi
2025-05-28 05:43:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007453903).
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 agm007453903
data_agm007453903
_cell_length_a 4.09328
_cell_length_b 4.09660
_cell_length_c 6.04792
_cell_angle_alpha 71.58949
_cell_angle_beta 71.69391
_cell_angle_gamma 63.40112
_cell_volume 84.23890
_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 0.50000 0.50000 0.50000 1.00000
Mn1 Mn 0.28905 0.28856 0.12361 1.00000
Mn2 Mn 0.71095 0.71144 0.87639 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
H1 H 0.94543 0.48233 0.67021 1.00000
H2 H 0.52490 0.51900 0.13693 1.00000
H3 H 0.05457 0.51767 0.32979 1.00000
H4 H 0.47510 0.48100 0.86307 1.00000
H5 H 0.52000 0.05319 0.32935 1.00000
H6 H 0.48000 0.94681 0.67065 1.00000
H7 H 0.04828 0.04746 0.28818 1.00000
H8 H 0.95172 0.95254 0.71182 1.00000
获取直接链接