Hf5IrRu4
Alexandria ALEXAlex-ID: agm062149358 · 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
AB4C5_70_spg2
HfIr HfRu
2024-12-06 03:58:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062149358).
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 agm062149358
data_agm062149358
_cell_length_a 7.24970
_cell_length_b 7.24970
_cell_length_c 5.64312
_cell_angle_alpha 75.00897
_cell_angle_beta 104.99103
_cell_angle_gamma 143.10868
_cell_volume 171.29720
_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 0.60106 0.39894 0.39917 1.00000
Hf2 Hf 0.20098 0.79902 0.80176 1.00000
Hf3 Hf 0.79902 0.20098 0.19824 1.00000
Hf4 Hf 0.39894 0.60106 0.60083 1.00000
Hf5 Hf 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.00000 0.00000 0.50000 1.00000
Ru1 Ru 0.59974 0.40026 0.89938 1.00000
Ru2 Ru 0.19997 0.80003 0.29971 1.00000
Ru3 Ru 0.80003 0.19997 0.70029 1.00000
Ru4 Ru 0.40026 0.59974 0.10062 1.00000
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