Mg3Mn2Hg3
Alexandria ALEXAlex-ID: agm009758474 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_148_spg12
Mn MgHg
2024-06-24 11:25:24.136085
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009758474).
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 agm009758474
data_agm009758474
_cell_length_a 5.31225
_cell_length_b 5.31225
_cell_length_c 8.17577
_cell_angle_alpha 68.02712
_cell_angle_beta 68.02712
_cell_angle_gamma 48.52702
_cell_volume 157.64035
_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
Mg1 Mg 0.24976 0.24976 0.63271 1.00000
Mg2 Mg 0.74387 0.74387 0.35879 1.00000
Mg3 Mg 0.75654 0.75654 0.88639 1.00000
Mn1 Mn 0.00778 0.00778 0.00371 1.00000
Mn2 Mn 0.99558 0.99558 0.49926 1.00000
Hg1 Hg 0.47584 0.47584 0.27255 1.00000
Hg2 Hg 0.52362 0.52362 0.73245 1.00000
Hg3 Hg 0.24922 0.24922 0.11415 1.00000
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