K5Ag2Hg5
Alexandria ALEXAlex-ID: agm005666301 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_26_spg12
Ag KHg
2023-06-19 01:01:40.713960
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666301).
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 agm005666301
data_agm005666301
_cell_length_a 4.93393
_cell_length_b 9.25330
_cell_length_c 10.04538
_cell_angle_alpha 89.08659
_cell_angle_beta 75.78375
_cell_angle_gamma 74.53772
_cell_volume 427.88459
_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 0.50000 0.50000 1.00000
K2 K 0.69105 0.69758 0.92032 1.00000
K3 K 0.37230 0.93138 0.32402 1.00000
K4 K 0.62770 0.06862 0.67598 1.00000
K5 K 0.30895 0.30242 0.07968 1.00000
Ag1 Ag 0.38834 0.46513 0.75820 1.00000
Ag2 Ag 0.61166 0.53487 0.24180 1.00000
Hg1 Hg 0.71122 0.23408 0.34348 1.00000
Hg2 Hg 0.93580 0.30639 0.82201 1.00000
Hg3 Hg 0.06420 0.69361 0.17799 1.00000
Hg4 Hg 0.28878 0.76592 0.65652 1.00000
Hg5 Hg 0.00000 0.00000 0.00000 1.00000
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