Fe5Hg4
Alexandria ALEXAlex-ID: agm005503553 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5_4_spg139
Hg Fe
2023-03-19 13:08:56.813190
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005503553).
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 agm005503553
data_agm005503553
_cell_length_a 6.37059
_cell_length_b 6.37059
_cell_length_c 6.37059
_cell_angle_alpha 95.90219
_cell_angle_beta 95.90219
_cell_angle_gamma 142.59285
_cell_volume 148.76606
_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
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Fe2 Fe 0.35714 0.35714 0.71429 1.00000
Fe3 Fe 0.64286 0.64286 0.28571 1.00000
Fe4 Fe 0.64286 0.35714 0.00000 1.00000
Fe5 Fe 0.35714 0.64286 0.00000 1.00000
Hg1 Hg 0.31525 0.00000 0.31525 1.00000
Hg2 Hg 0.68475 0.00000 0.68475 1.00000
Hg3 Hg 0.00000 0.31525 0.31525 1.00000
Hg4 Hg 0.00000 0.68475 0.68475 1.00000
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