MnMo5Rh6
Alexandria ALEXAlex-ID: agm006113354 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_51_spg65
MoRh MoRh2 Mn2Mo
2023-09-01 09:59:27.869610
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113354).
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 agm006113354
data_agm006113354
_cell_length_a 3.88588
_cell_length_b 7.76357
_cell_length_c 6.13765
_cell_angle_alpha 89.99999
_cell_angle_beta 71.54490
_cell_angle_gamma 89.99998
_cell_volume 175.64010
_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 0.66780 0.50000 0.66441 1.00000
Mo2 Mo 0.33378 0.00000 0.33244 1.00000
Mo3 Mo 0.00000 0.50000 0.00000 1.00000
Mo4 Mo 0.66622 1.00000 0.66756 1.00000
Mo5 Mo 0.33220 0.50000 0.33559 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.83345 0.75209 0.33309 1.00000
Rh2 Rh 0.83346 0.24791 0.33309 1.00000
Rh3 Rh 0.50000 0.24654 1.00000 1.00000
Rh4 Rh 0.50000 0.75346 0.00000 1.00000
Rh5 Rh 0.16654 0.75209 0.66691 1.00000
Rh6 Rh 0.16655 0.24791 0.66691 1.00000
获取直接链接