HfZn5Ag
Alexandria ALEXAlex-ID: agm005773341 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_91_spg62
Zn2Ag HfZn3
2023-07-15 10:25:05.485529
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773341).
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 agm005773341
data_agm005773341
_cell_length_a 5.00306
_cell_length_b 8.44240
_cell_length_c 10.56164
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 446.10115
_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 0.25000 0.24046 0.92979 1.00000
Hf2 Hf 0.75000 0.25954 0.42979 1.00000
Hf3 Hf 0.25000 0.74046 0.57021 1.00000
Hf4 Hf 0.75000 0.75954 0.07021 1.00000
Zn1 Zn 0.25000 0.58395 0.01763 1.00000
Zn2 Zn 0.75000 0.91605 0.51763 1.00000
Zn3 Zn 0.25000 0.08395 0.48237 1.00000
Zn4 Zn 0.75000 0.41605 0.98237 1.00000
Zn5 Zn 0.75000 0.29665 0.75873 1.00000
Zn6 Zn 0.25000 0.20335 0.25873 1.00000
Zn7 Zn 0.75000 0.79665 0.74127 1.00000
Zn8 Zn 0.25000 0.70335 0.24127 1.00000
Zn9 Zn 0.25000 0.96599 0.08994 1.00000
Zn10 Zn 0.75000 0.53401 0.58994 1.00000
Zn11 Zn 0.25000 0.46599 0.41006 1.00000
Zn12 Zn 0.75000 0.03401 0.91006 1.00000
Zn13 Zn 0.99083 0.44087 0.19318 1.00000
Zn14 Zn 0.00917 0.05913 0.69318 1.00000
Zn15 Zn 0.50917 0.94087 0.30682 1.00000
Zn16 Zn 0.49083 0.55913 0.80682 1.00000
Zn17 Zn 0.00917 0.55913 0.80682 1.00000
Zn18 Zn 0.99083 0.94087 0.30682 1.00000
Zn19 Zn 0.49083 0.05913 0.69318 1.00000
Zn20 Zn 0.50917 0.44087 0.19318 1.00000
Ag1 Ag 0.25000 0.85276 0.86155 1.00000
Ag2 Ag 0.75000 0.64724 0.36155 1.00000
Ag3 Ag 0.25000 0.35276 0.63845 1.00000
Ag4 Ag 0.75000 0.14724 0.13845 1.00000
