U2Mn5
Alexandria ALEXAlex-ID: agm010102863 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5_96_spg2
UMn Mn
2024-03-21 16:15:44.550763
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010102863).
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
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# CIF generated by HEAS from Alexandria entry agm010102863
data_agm010102863
_cell_length_a 2.70968
_cell_length_b 4.14759
_cell_length_c 8.77464
_cell_angle_alpha 103.69829
_cell_angle_beta 97.37300
_cell_angle_gamma 89.98449
_cell_volume 94.97135
_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 0.59857 0.86084 0.72161 1.00000
U2 U 0.40143 0.13916 0.27839 1.00000
Mn1 Mn 0.21375 0.71297 0.42623 1.00000
Mn2 Mn 0.78625 0.28703 0.57377 1.00000
Mn3 Mn 0.59875 0.57452 0.14899 1.00000
Mn4 Mn 0.40125 0.42548 0.85101 1.00000
Mn5 Mn 0.00000 0.00000 0.00000 1.00000
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