K(Hg2Bi)2
Alexandria ALEXAlex-ID: agm096206417 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_395_spg139
KBi2 Hg
2025-04-10 21:24:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096206417).
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
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# CIF generated by HEAS from Alexandria entry agm096206417
data_agm096206417
_cell_length_a 5.74552
_cell_length_b 7.20211
_cell_length_c 6.76537
_cell_angle_alpha 69.37742
_cell_angle_beta 62.91285
_cell_angle_gamma 67.13435
_cell_volume 224.35453
_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 0.64210 0.36397 0.91981 1.00000
Hg1 Hg 0.26776 0.50701 0.54982 1.00000
Hg2 Hg 0.98942 0.21319 0.33906 1.00000
Hg3 Hg 0.95456 0.85604 0.79414 1.00000
Hg4 Hg 0.82929 0.65191 0.30816 1.00000
Bi1 Bi 0.33126 0.88445 0.05556 1.00000
Bi2 Bi 0.48561 0.02344 0.53345 1.00000
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