Sr2UGeN5
Alexandria ALEXAlex-ID: agm005149644 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_217_spg36
Sr3U3N8 SrGeN2 SrN6 UN2
2023-01-16 19:47:07.705997
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149644).
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 agm005149644
data_agm005149644
_cell_length_a 3.51237
_cell_length_b 7.32264
_cell_length_c 11.79837
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.87648
_cell_volume 294.59612
_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 0.86366 0.72732 0.83470 1.00000
Sr2 Sr 0.08400 0.16801 0.65937 1.00000
Sr3 Sr 0.13634 0.27268 0.33470 1.00000
Sr4 Sr 0.91600 0.83199 0.15937 1.00000
U1 U 0.79363 0.58725 0.53996 1.00000
U2 U 0.20637 0.41275 0.03996 1.00000
Ge1 Ge 0.56156 0.12313 0.91742 1.00000
Ge2 Ge 0.43844 0.87687 0.41742 1.00000
N1 N 0.34285 0.68571 0.01190 1.00000
N2 N 0.69443 0.38887 0.91870 1.00000
N3 N 0.49831 0.99661 0.78665 1.00000
N4 N 0.28832 0.57665 0.64859 1.00000
N5 N 0.94858 0.89716 0.50668 1.00000
N6 N 0.65715 0.31429 0.51190 1.00000
N7 N 0.30557 0.61113 0.41870 1.00000
N8 N 0.50169 0.00339 0.28665 1.00000
N9 N 0.71168 0.42335 0.14859 1.00000
N10 N 0.05142 0.10284 0.00668 1.00000
获取直接链接