ZnIn2H6Au
Alexandria ALEXAlex-ID: agm007409709 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_289_spg1
Zn2Au InH10 ZnH2 In2Au
2024-02-09 05:11:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007409709).
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 agm007409709
data_agm007409709
_cell_length_a 6.99536
_cell_length_b 6.99393
_cell_length_c 4.72170
_cell_angle_alpha 70.29034
_cell_angle_beta 70.25766
_cell_angle_gamma 39.45201
_cell_volume 137.02993
_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
Zn1 Zn 0.05039 0.05039 0.94961 1.00000
In1 In 0.79096 0.79096 0.70904 1.00000
In2 In 0.29096 0.29096 0.20904 1.00000
H1 H 0.22803 0.74548 0.77197 1.00000
H2 H 0.75992 0.75992 0.24008 1.00000
H3 H 0.74548 0.22803 0.25452 1.00000
H4 H 0.22900 0.74593 0.25407 1.00000
H5 H 0.18269 0.18269 0.81731 1.00000
H6 H 0.74593 0.22900 0.77100 1.00000
Au1 Au 0.47143 0.47143 0.52857 1.00000
获取直接链接