Sr3Ce5U3
Alexandria ALEXAlex-ID: agm008385168 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C5_232_spg1
Sr Ce U
2024-06-28 09:12:09.626421
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008385168).
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 agm008385168
data_agm008385168
_cell_length_a 5.96974
_cell_length_b 6.27914
_cell_length_c 10.01367
_cell_angle_alpha 89.51283
_cell_angle_beta 101.13342
_cell_angle_gamma 92.24439
_cell_volume 368.01362
_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
Sr1 Sr 0.66666 0.25826 0.32903 1.00000
Sr2 Sr 0.08873 0.17946 0.08509 1.00000
Sr3 Sr 0.16011 0.70166 0.35483 1.00000
Ce1 Ce 0.51080 0.29989 0.87301 1.00000
Ce2 Ce 0.54330 0.74725 0.01469 1.00000
Ce3 Ce 0.24961 0.13531 0.58025 1.00000
Ce4 Ce 0.97680 0.67242 0.93922 1.00000
Ce5 Ce 0.83961 0.04775 0.67904 1.00000
U1 U 0.34821 0.84494 0.76803 1.00000
U2 U 0.03221 0.54598 0.70132 1.00000
U3 U 0.58396 0.56708 0.67548 1.00000
获取直接链接