U3Sn2
Alexandria ALEXAlex-ID: agm002320060 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_126_spg127
USn3 U2Sn
2023-03-26 21:33:29.828684
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002320060).
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 agm002320060
data_agm002320060
_cell_length_a 4.20124
_cell_length_b 7.99275
_cell_length_c 7.98902
_cell_angle_alpha 89.99960
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 268.26723
_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 0.00000 0.00000 0.00001 1.00000
U2 U 0.00000 0.50001 0.50000 1.00000
U3 U 0.50000 0.17544 0.67578 1.00000
U4 U 0.50000 0.82456 0.32423 1.00000
U5 U 0.50000 0.67542 0.82420 1.00000
U6 U 0.50000 0.32457 0.17579 1.00000
Sn1 Sn 0.00000 0.62737 0.12723 1.00000
Sn2 Sn 0.00000 0.37264 0.87276 1.00000
Sn3 Sn 0.00000 0.12736 0.37276 1.00000
Sn4 Sn 0.00000 0.87264 0.62725 1.00000
