K2H5Au2
Alexandria ALEXAlex-ID: agm007322751 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_531_spg46
KH6Au KH2Au
2024-02-10 14:08:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007322751).
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 agm007322751
data_agm007322751
_cell_length_a 8.20101
_cell_length_b 8.20101
_cell_length_c 8.20101
_cell_angle_alpha 135.60158
_cell_angle_beta 135.59345
_cell_angle_gamma 64.60320
_cell_volume 266.26252
_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
K1 K 0.00000 0.90700 0.90700 1.00000
K2 K 0.50000 0.40700 0.90700 1.00000
K3 K 0.25033 0.15696 0.90729 1.00000
K4 K 0.74967 0.65696 0.90664 1.00000
H1 H 0.69616 0.10310 0.02511 1.00000
H2 H 0.30384 0.32895 0.40694 1.00000
H3 H 0.57799 0.60310 0.40694 1.00000
H4 H 0.42201 0.82895 0.02511 1.00000
H5 H 0.80431 0.21110 0.78974 1.00000
H6 H 0.19569 0.98543 0.40680 1.00000
H7 H 0.92136 0.71110 0.40680 1.00000
H8 H 0.07864 0.48543 0.78974 1.00000
H9 H 0.75058 0.15715 0.40773 1.00000
H10 H 0.24942 0.65715 0.40657 1.00000
Au1 Au 0.11401 0.52143 0.40681 1.00000
Au2 Au 0.88599 0.29279 0.40742 1.00000
Au3 Au 0.61463 0.02143 0.40742 1.00000
Au4 Au 0.38537 0.79279 0.40681 1.00000
获取直接链接