ZnHg2H7
Alexandria ALEXAlex-ID: agm006202049 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_1000_spg12
HgH4 Zn Hg
2024-02-01 15:30:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006202049).
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 agm006202049
data_agm006202049
_cell_length_a 5.67063
_cell_length_b 7.24758
_cell_length_c 5.56188
_cell_angle_alpha 134.91747
_cell_angle_beta 54.79514
_cell_angle_gamma 115.42105
_cell_volume 132.16260
_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
H1 H 0.95988 0.84411 0.56098 1.00000
H2 H 0.98595 0.86748 0.43312 1.00000
H3 H 0.28801 0.37233 0.94052 1.00000
H4 H 0.12712 0.24468 0.51288 1.00000
H5 H 0.47310 0.85586 0.49690 1.00000
H6 H 0.65884 0.33923 0.05266 1.00000
H7 H 0.81968 0.46649 0.48054 1.00000
Hg1 Hg 0.27077 0.05222 0.01441 1.00000
Hg2 Hg 0.67579 0.65928 0.97924 1.00000
Zn1 Zn 0.97325 0.35571 0.99692 1.00000
获取直接链接