Ho3(UMn2)2
Alexandria ALEXAlex-ID: agm005669131 · 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
A2B3C4_623_spg12
Ho2UMn2 UMn Mn
2023-06-27 11:08:40.632561
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669131).
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 agm005669131
data_agm005669131
_cell_length_a 3.99953
_cell_length_b 5.77132
_cell_length_c 8.43145
_cell_angle_alpha 102.70987
_cell_angle_beta 90.00000
_cell_angle_gamma 110.27342
_cell_volume 177.47002
_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
Ho1 Ho 0.37513 0.75026 0.62136 1.00000
Ho2 Ho 0.00000 0.00000 0.00000 1.00000
Ho3 Ho 0.62487 0.24974 0.37864 1.00000
U1 U 0.32455 0.64911 0.22499 1.00000
U2 U 0.67545 0.35089 0.77501 1.00000
Mn1 Mn 0.73800 0.47600 0.09300 1.00000
Mn2 Mn 0.09021 0.18042 0.64220 1.00000
Mn3 Mn 0.90979 0.81958 0.35780 1.00000
Mn4 Mn 0.26200 0.52400 0.90700 1.00000
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