K8HgSb2
Alexandria ALEXAlex-ID: agm005950355 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_280_spg71
K5Hg3 K3Hg K3Sb
2023-10-20 12:34:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005950355).
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 agm005950355
data_agm005950355
_cell_length_a 5.86764
_cell_length_b 9.80308
_cell_length_c 10.08698
_cell_angle_alpha 119.07344
_cell_angle_beta 106.90897
_cell_angle_gamma 90.00002
_cell_volume 478.20054
_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 0.66153 0.87714 0.32306 1.00000
K2 K 0.33846 0.55408 0.67693 1.00000
K3 K 0.15598 0.15597 0.31196 1.00000
K4 K 0.00000 0.31848 0.00000 1.00000
K5 K 0.84402 0.84403 0.68804 1.00000
K6 K 0.66153 0.44592 0.32307 1.00000
K7 K 0.33847 0.12286 0.67694 1.00000
K8 K 1.00000 0.68152 1.00000 1.00000
Hg1 Hg 0.50000 0.00000 0.00000 1.00000
Sb1 Sb 0.19434 0.69433 0.38868 1.00000
Sb2 Sb 0.80566 0.30567 0.61132 1.00000
获取直接链接