MnCr5
Alexandria ALEXAlex-ID: agm069361069 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5_1721_spg15
MnCr15 Mn
2024-08-13 20:25:21.901345
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069361069).
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 agm069361069
data_agm069361069
_cell_length_a 6.53931
_cell_length_b 6.53931
_cell_length_c 4.64068
_cell_angle_alpha 77.78260
_cell_angle_beta 77.78260
_cell_angle_gamma 124.69230
_cell_volume 145.21947
_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 0.93178 0.06822 0.75000 1.00000
Mn2 Mn 0.06822 0.93178 0.25000 1.00000
Cr1 Cr 0.92822 0.65624 0.88094 1.00000
Cr2 Cr 0.60068 0.19614 0.03986 1.00000
Cr3 Cr 0.34376 0.07178 0.61906 1.00000
Cr4 Cr 0.80386 0.39932 0.46014 1.00000
Cr5 Cr 0.19614 0.60068 0.53986 1.00000
Cr6 Cr 0.65624 0.92822 0.38094 1.00000
Cr7 Cr 0.39932 0.80386 0.96014 1.00000
Cr8 Cr 0.07178 0.34376 0.11906 1.00000
Cr9 Cr 0.49606 0.50394 0.25000 1.00000
Cr10 Cr 0.50394 0.49606 0.75000 1.00000
获取直接链接