Mg2U5Mn4
Alexandria ALEXAlex-ID: agm012146356 · 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
A2B4C5_42_spg8
UMn Mg U
2024-05-29 23:58:50.753591
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012146356).
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 agm012146356
data_agm012146356
_cell_length_a 4.64810
_cell_length_b 7.36004
_cell_length_c 6.93097
_cell_angle_alpha 114.76813
_cell_angle_beta 86.93633
_cell_angle_gamma 114.20334
_cell_volume 194.35896
_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 0.76784 0.01627 0.62731 1.00000
Mg2 Mg 0.23216 0.98373 0.37269 1.00000
U1 U 0.77459 0.54108 0.43119 1.00000
U2 U 0.22541 0.45892 0.56881 1.00000
U3 U 0.00000 0.50000 0.00000 1.00000
U4 U 0.65968 0.79462 0.93978 1.00000
U5 U 0.34032 0.20538 0.06022 1.00000
Mn1 Mn 0.19654 0.90965 0.75935 1.00000
Mn2 Mn 0.80346 0.09035 0.24065 1.00000
Mn3 Mn 0.60125 0.34553 0.73813 1.00000
Mn4 Mn 0.39875 0.65447 0.26187 1.00000
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