Mn2MoAu
Alexandria ALEXAlex-ID: agm002854584 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_185_spg122
Mn2Mo Mo MnAu2
2017-01-02 23:13:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002854584).
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 agm002854584
data_agm002854584
_cell_length_a 6.87384
_cell_length_b 6.87384
_cell_length_c 5.58418
_cell_angle_alpha 52.01358
_cell_angle_beta 52.01358
_cell_angle_gamma 90.00000
_cell_volume 129.89971
_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
Mo1 Mo 0.50000 0.50000 0.00000 1.00000
Mo2 Mo 0.25000 0.75000 0.50000 1.00000
Mn1 Mn 0.60464 0.12500 0.25000 1.00000
Mn2 Mn 0.14536 0.62500 0.25000 1.00000
Mn3 Mn 0.37500 0.39536 0.75000 1.00000
Mn4 Mn 0.87500 0.85464 0.75000 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.75000 0.25000 0.50000 1.00000
获取直接链接