HfMn2Rh3
Alexandria ALEXAlex-ID: agm015797656 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2251_spg2
HfMn2Rh3
2025-04-14 03:39:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015797656).
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 agm015797656
data_agm015797656
_cell_length_a 7.67693
_cell_length_b 7.67693
_cell_length_c 7.67693
_cell_angle_alpha 146.37200
_cell_angle_beta 132.21276
_cell_angle_gamma 59.69943
_cell_volume 183.90938
_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
Hf1 Hf 0.58811 0.33811 0.25000 1.00000
Hf2 Hf 0.41189 0.66189 0.75000 1.00000
Mn1 Mn 0.91575 0.66575 0.25000 1.00000
Mn2 Mn 0.24876 0.99876 0.25000 1.00000
Mn3 Mn 0.08425 0.33425 0.75000 1.00000
Mn4 Mn 0.75124 0.00124 0.75000 1.00000
Rh1 Rh 0.67196 0.16691 0.50504 1.00000
Rh2 Rh 0.83813 0.83309 0.00504 1.00000
Rh3 Rh 0.00000 0.50000 0.50000 1.00000
Rh4 Rh 0.32804 0.83309 0.49496 1.00000
Rh5 Rh 0.50000 0.50000 0.00000 1.00000
Rh6 Rh 0.16187 0.16691 0.99496 1.00000
获取直接链接