Mn3Hg2
Alexandria ALEXAlex-ID: agm005506633 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_55_spg43
Hg Mn
2023-03-20 07:37:38.966042
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506633).
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 agm005506633
data_agm005506633
_cell_length_a 8.41445
_cell_length_b 7.35147
_cell_length_c 5.56834
_cell_angle_alpha 79.97808
_cell_angle_beta 59.35489
_cell_angle_gamma 40.66702
_cell_volume 178.69281
_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
Mn1 Mn 0.45705 0.34725 0.45045 1.00000
Mn2 Mn 0.74525 0.45045 0.34725 1.00000
Mn3 Mn 0.90275 0.79295 0.50475 1.00000
Mn4 Mn 0.79955 0.50475 0.79295 1.00000
Mn5 Mn 0.05327 0.94673 0.94673 1.00000
Mn6 Mn 0.30327 0.19673 0.19673 1.00000
Hg1 Hg 0.53478 0.36341 0.89216 1.00000
Hg2 Hg 0.20964 0.89216 0.36341 1.00000
Hg3 Hg 0.88659 0.71522 0.04036 1.00000
Hg4 Hg 0.35784 0.04036 0.71522 1.00000
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