Sr5U2N6
Alexandria ALEXAlex-ID: agm005659080 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C6_122_spg55
Sr2UN3 Sr
2023-06-20 09:52:16.075806
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659080).
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 agm005659080
data_agm005659080
_cell_length_a 3.69571
_cell_length_b 13.13083
_cell_length_c 12.77612
_cell_angle_alpha 90.00017
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 619.99646
_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 0.50000 0.34129 0.49275 1.00000
Sr2 Sr 0.50000 0.65871 0.50725 1.00000
Sr3 Sr 0.50000 0.84129 0.00725 1.00000
Sr4 Sr 0.50000 0.15871 0.99275 1.00000
Sr5 Sr 0.50000 0.77606 0.26777 1.00000
Sr6 Sr 0.50000 0.22394 0.73223 1.00000
Sr7 Sr 0.50000 0.27606 0.23223 1.00000
Sr8 Sr 0.50000 0.72394 0.76777 1.00000
Sr9 Sr 0.50000 0.50000 0.00000 1.00000
Sr10 Sr 0.50000 0.00000 0.50000 1.00000
U1 U 0.00000 0.50901 0.29331 1.00000
U2 U 0.00000 0.49099 0.70669 1.00000
U3 U 0.00000 0.00901 0.20668 1.00000
U4 U 0.00000 0.99099 0.79332 1.00000
N1 N 0.00000 0.36287 0.34667 1.00000
N2 N 0.00000 0.63713 0.65333 1.00000
N3 N 0.00000 0.86287 0.15333 1.00000
N4 N 0.00000 0.13713 0.84667 1.00000
N5 N 0.50000 0.48336 0.20017 1.00000
N6 N 0.50000 0.51664 0.79983 1.00000
N7 N 0.50000 0.98336 0.29983 1.00000
N8 N 0.50000 0.01664 0.70017 1.00000
N9 N 0.00000 0.65201 0.35217 1.00000
N10 N 0.00000 0.34799 0.64783 1.00000
N11 N 0.00000 0.15201 0.14783 1.00000
N12 N 0.00000 0.84799 0.85217 1.00000
