Hf4MnReIr2
Alexandria ALEXAlex-ID: agm033487593 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_936_spg5
Hf4MnReIr2
2025-03-05 06:22:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033487593).
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 agm033487593
data_agm033487593
_cell_length_a 7.94946
_cell_length_b 7.94946
_cell_length_c 7.94946
_cell_angle_alpha 33.54731
_cell_angle_beta 33.54731
_cell_angle_gamma 33.54731
_cell_volume 136.64999
_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 0.62616 0.62616 0.62616 1.00000
Hf2 Hf 0.12373 0.12373 0.12373 1.00000
Hf3 Hf 0.87627 0.87627 0.87627 1.00000
Hf4 Hf 0.37384 0.37384 0.37384 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Re1 Re 0.50000 0.50000 0.50000 1.00000
Ir1 Ir 0.25075 0.25075 0.25075 1.00000
Ir2 Ir 0.74925 0.74925 0.74925 1.00000
