Hf5Ge5Ru
Alexandria ALEXAlex-ID: agm003672467 · 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
AB5C5_38_spg12
HfGeRu HfGe2 Hf5Ge4
2022-04-09 12:36:50.401699
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672467).
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 agm003672467
data_agm003672467
_cell_length_a 5.35426
_cell_length_b 6.08582
_cell_length_c 8.19120
_cell_angle_alpha 110.81497
_cell_angle_beta 90.00000
_cell_angle_gamma 116.09729
_cell_volume 220.13533
_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
Hf1 Hf 0.67106 0.34213 0.34642 1.00000
Hf2 Hf 0.65424 0.30848 0.80913 1.00000
Hf3 Hf 0.00000 0.00000 0.50000 1.00000
Hf4 Hf 0.34576 0.69152 0.19087 1.00000
Hf5 Hf 0.32894 0.65787 0.65358 1.00000
Ge1 Ge 0.83034 0.66067 0.15020 1.00000
Ge2 Ge 0.84471 0.68941 0.68229 1.00000
Ge3 Ge 0.50000 0.00000 0.00000 1.00000
Ge4 Ge 0.15529 0.31059 0.31771 1.00000
Ge5 Ge 0.16966 0.33933 0.84980 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
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