U8Mn2Al3
Alexandria ALEXAlex-ID: agm017440095 · 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
A2B3C8_448_spg2
UMnAl UMnAl2 U
2025-02-22 17:25:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017440095).
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}
}
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# CIF generated by HEAS from Alexandria entry agm017440095
data_agm017440095
_cell_length_a 5.50359
_cell_length_b 7.48055
_cell_length_c 7.30425
_cell_angle_alpha 64.79105
_cell_angle_beta 69.45562
_cell_angle_gamma 70.44796
_cell_volume 248.61035
_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 0.14309 0.68278 0.78023 1.00000
U2 U 0.85691 0.31722 0.21977 1.00000
U3 U 0.12438 0.17596 0.83741 1.00000
U4 U 0.87562 0.82404 0.16259 1.00000
U5 U 0.86363 0.04738 0.70077 1.00000
U6 U 0.85942 0.53464 0.68458 1.00000
U7 U 0.14058 0.46536 0.31542 1.00000
U8 U 0.13637 0.95262 0.29923 1.00000
Mn1 Mn 0.47027 0.33304 0.57570 1.00000
Mn2 Mn 0.52973 0.66696 0.42430 1.00000
Al1 Al 0.50000 0.00000 0.50000 1.00000
Al2 Al 0.50555 0.74366 0.99475 1.00000
Al3 Al 0.49445 0.25634 0.00525 1.00000
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