U3Mn3Fe2
Alexandria ALEXAlex-ID: agm009738457 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_8_spg62
U2MnFe2 UMn Mn
2025-03-20 00:23:26.560300
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009738457).
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 agm009738457
data_agm009738457
_cell_length_a 4.54964
_cell_length_b 7.47884
_cell_length_c 14.97793
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 509.63938
_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
U1 U 0.60435 0.54276 0.14409 1.00000
U2 U 0.10437 0.95742 0.35591 1.00000
U3 U 0.89563 0.45742 0.64409 1.00000
U4 U 0.39565 0.04276 0.85591 1.00000
U5 U 0.89563 0.45742 0.35591 1.00000
U6 U 0.39565 0.04276 0.14409 1.00000
U7 U 0.60435 0.54276 0.85591 1.00000
U8 U 0.10437 0.95742 0.64409 1.00000
U9 U 0.14172 0.68833 0.00000 1.00000
U10 U 0.64170 0.81188 0.50000 1.00000
U11 U 0.35830 0.31188 0.50000 1.00000
U12 U 0.85828 0.18833 0.00000 1.00000
Mn1 Mn 0.70174 0.79715 0.00000 1.00000
Mn2 Mn 0.20191 0.70298 0.50000 1.00000
Mn3 Mn 0.79809 0.20298 0.50000 1.00000
Mn4 Mn 0.29826 0.29715 0.00000 1.00000
Mn5 Mn 0.24040 0.66442 0.21708 1.00000
Mn6 Mn 0.74040 0.83580 0.28292 1.00000
Mn7 Mn 0.25960 0.33580 0.71708 1.00000
Mn8 Mn 0.75960 0.16442 0.78292 1.00000
Mn9 Mn 0.25960 0.33580 0.28292 1.00000
Mn10 Mn 0.75960 0.16442 0.21708 1.00000
Mn11 Mn 0.24040 0.66442 0.78292 1.00000
Mn12 Mn 0.74040 0.83580 0.71708 1.00000
Fe1 Fe 0.97385 0.90806 0.13750 1.00000
Fe2 Fe 0.47391 0.59213 0.36250 1.00000
Fe3 Fe 0.52609 0.09213 0.63750 1.00000
Fe4 Fe 0.02615 0.40806 0.86250 1.00000
Fe5 Fe 0.52609 0.09213 0.36250 1.00000
Fe6 Fe 0.02615 0.40806 0.13750 1.00000
Fe7 Fe 0.97385 0.90806 0.86250 1.00000
Fe8 Fe 0.47391 0.59213 0.63750 1.00000
