Sc2U5Mn2
Alexandria ALEXAlex-ID: agm009851491 · 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
A2B2C5_485_spg2
Sc2UMn3 Sc4UMn2 U
2024-07-05 18:39:47.153051
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009851491).
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 agm009851491
data_agm009851491
_cell_length_a 3.04110
_cell_length_b 6.55433
_cell_length_c 9.72422
_cell_angle_alpha 114.04456
_cell_angle_beta 77.77723
_cell_angle_gamma 100.66737
_cell_volume 171.93120
_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
Sc1 Sc 0.73635 0.29927 0.87231 1.00000
Sc2 Sc 0.26365 0.70073 0.12769 1.00000
U1 U 0.57091 0.67898 0.74365 1.00000
U2 U 0.42909 0.32102 0.25635 1.00000
U3 U 0.05277 0.28142 0.52742 1.00000
U4 U 0.94723 0.71858 0.47258 1.00000
U5 U 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.30627 0.01237 0.65000 1.00000
Mn2 Mn 0.69373 0.98763 0.35000 1.00000
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