U5S5N
Alexandria ALEXAlex-ID: agm003673468 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C5_36_spg12
U2S3 U2SN2 US
2022-04-09 15:48:53.416100
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003673468).
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 agm003673468
data_agm003673468
_cell_length_a 5.37435
_cell_length_b 6.59271
_cell_length_c 7.50731
_cell_angle_alpha 107.35918
_cell_angle_beta 90.00000
_cell_angle_gamma 114.05402
_cell_volume 229.56559
_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 0.84543 0.69086 0.15068 1.00000
U2 U 0.84689 0.69378 0.69773 1.00000
U3 U 0.50000 0.00000 0.00000 1.00000
U4 U 0.15311 0.30622 0.30227 1.00000
U5 U 0.15457 0.30914 0.84932 1.00000
S1 S 0.67911 0.35822 0.33840 1.00000
S2 S 0.65777 0.31554 0.81596 1.00000
S3 S 0.00000 0.00000 0.50000 1.00000
S4 S 0.34223 0.68446 0.18404 1.00000
S5 S 0.32089 0.64178 0.66160 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
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