U3Mn7Zn2
Alexandria ALEXAlex-ID: agm025407569 · 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
A2B3C7_69_spg12
UMn2Zn UMn Mn
2025-05-17 02:42:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025407569).
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 agm025407569
data_agm025407569
_cell_length_a 5.10760
_cell_length_b 5.10760
_cell_length_c 8.71105
_cell_angle_alpha 64.69955
_cell_angle_beta 115.30045
_cell_angle_gamma 116.06038
_cell_volume 176.34896
_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 0.00000 0.00000 0.00000 1.00000
U2 U 0.87131 0.12869 0.58901 1.00000
U3 U 0.12869 0.87131 0.41099 1.00000
Mn1 Mn 0.50000 0.50000 0.50000 1.00000
Mn2 Mn 0.40026 0.10161 0.74718 1.00000
Mn3 Mn 0.89839 0.59974 0.74718 1.00000
Mn4 Mn 0.36158 0.63842 0.69708 1.00000
Mn5 Mn 0.59974 0.89839 0.25282 1.00000
Mn6 Mn 0.63842 0.36158 0.30292 1.00000
Mn7 Mn 0.10161 0.40026 0.25282 1.00000
Zn1 Zn 0.64572 0.35428 0.99089 1.00000
Zn2 Zn 0.35428 0.64572 0.00911 1.00000
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