K2BaHg4
Alexandria ALEXAlex-ID: agm096073573 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_44_spg2
BaHg2 KHg
2025-04-10 20:21:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096073573).
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 agm096073573
data_agm096073573
_cell_length_a 8.85941
_cell_length_b 4.72966
_cell_length_c 6.65697
_cell_angle_alpha 90.00000
_cell_angle_beta 106.53859
_cell_angle_gamma 90.00000
_cell_volume 267.39989
_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 0.05179 0.50000 0.94437 1.00000
K2 K 0.92115 0.00000 0.39721 1.00000
Ba1 Ba 0.50957 0.50000 0.98804 1.00000
Hg1 Hg 0.39102 0.00000 0.31270 1.00000
Hg2 Hg 0.23686 0.50000 0.49836 1.00000
Hg3 Hg 0.65009 0.50000 0.52990 1.00000
Hg4 Hg 0.73952 0.00000 0.82943 1.00000
获取直接链接