Ho2BeGePd6
Alexandria ALEXAlex-ID: agm004922073 · 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
ABC2D6_455_spg166
Ho6Ge19Pd30 HoGePd2 Ho2BePd6 BePd
2022-07-21 13:00:48.276927
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004922073).
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 agm004922073
data_agm004922073
_cell_length_a 5.75671
_cell_length_b 7.16389
_cell_length_c 5.69944
_cell_angle_alpha 66.03020
_cell_angle_beta 59.63835
_cell_angle_gamma 90.01495
_cell_volume 178.90831
_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 0.77444 0.21291 0.45200 1.00000
Ho2 Ho 0.22556 0.78709 0.54799 1.00000
Be1 Be 0.50000 0.50000 0.00000 1.00000
Ge1 Ge 1.00000 1.00000 0.00000 1.00000
Pd1 Pd 0.28245 0.21864 0.43607 1.00000
Pd2 Pd 0.67976 0.66084 0.15130 1.00000
Pd3 Pd 0.16860 0.66078 0.15123 1.00000
Pd4 Pd 0.83139 0.33922 0.84877 1.00000
Pd5 Pd 0.32024 0.33916 0.84870 1.00000
Pd6 Pd 0.71755 0.78136 0.56393 1.00000
获取直接链接