Mg2U3Mn7
Alexandria ALEXAlex-ID: agm026244262 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_1050_spg2
UMn Mg Mn
2025-05-17 00:38:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm026244262).
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 agm026244262
data_agm026244262
_cell_length_a 4.79825
_cell_length_b 6.59965
_cell_length_c 6.77693
_cell_angle_alpha 68.32377
_cell_angle_beta 70.59539
_cell_angle_gamma 76.64525
_cell_volume 186.65923
_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
Mg1 Mg 0.81546 0.43839 0.82150 1.00000
Mg2 Mg 0.41915 0.24445 0.71586 1.00000
U1 U 0.11705 0.84155 0.76865 1.00000
U2 U 0.77083 0.63662 0.31335 1.00000
U3 U 0.46397 0.04598 0.22392 1.00000
Mn1 Mn 0.61714 0.34128 0.26879 1.00000
Mn2 Mn 0.44924 0.77452 0.96289 1.00000
Mn3 Mn 0.19874 0.44160 0.06144 1.00000
Mn4 Mn 0.05047 0.04155 0.14646 1.00000
Mn5 Mn 0.78475 0.90842 0.57422 1.00000
Mn6 Mn 0.18410 0.64122 0.39102 1.00000
Mn7 Mn 0.03555 0.24099 0.47616 1.00000
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