Mn(Zn4Rh3)2
Alexandria ALEXAlex-ID: agm013168985 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_45_spg148
Zn4Rh3 Mn
2024-06-24 11:46:32.341589
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013168985).
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 agm013168985
data_agm013168985
_cell_length_a 4.78628
_cell_length_b 7.03095
_cell_length_c 7.16559
_cell_angle_alpha 97.80566
_cell_angle_beta 107.71836
_cell_angle_gamma 108.13544
_cell_volume 211.09029
_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 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.60289 0.20694 0.00814 1.00000
Zn2 Zn 0.06313 0.45272 0.32334 1.00000
Zn3 Zn 0.72751 0.12519 0.66115 1.00000
Zn4 Zn 0.33335 0.33667 0.66524 1.00000
Zn5 Zn 0.66665 0.66333 0.33476 1.00000
Zn6 Zn 0.27249 0.87481 0.33885 1.00000
Zn7 Zn 0.93687 0.54728 0.67666 1.00000
Zn8 Zn 0.39711 0.79306 0.99186 1.00000
Rh1 Rh 0.51155 0.71993 0.64961 1.00000
Rh2 Rh 0.15242 0.95371 0.68244 1.00000
Rh3 Rh 0.81900 0.61589 0.01944 1.00000
Rh4 Rh 0.18100 0.38411 0.98056 1.00000
Rh5 Rh 0.84758 0.04629 0.31756 1.00000
Rh6 Rh 0.48845 0.28007 0.35039 1.00000
获取直接链接