Ce2SNO
Alexandria ALEXAlex-ID: agm023980347 · 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
ABCD2_1527_spg12
Ce2SNO
2025-01-02 19:37:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023980347).
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 agm023980347
data_agm023980347
_cell_length_a 6.79581
_cell_length_b 6.79581
_cell_length_c 9.41171
_cell_angle_alpha 54.22138
_cell_angle_beta 125.77862
_cell_angle_gamma 146.51741
_cell_volume 189.91610
_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
Ce1 Ce 0.43167 0.56833 0.17232 1.00000
Ce2 Ce 0.56833 0.43167 0.82768 1.00000
Ce3 Ce 0.83253 0.16747 0.42473 1.00000
Ce4 Ce 0.16747 0.83253 0.57527 1.00000
S1 S 0.81408 0.18592 0.87274 1.00000
S2 S 0.18592 0.81408 0.12726 1.00000
N1 N 0.04790 0.95210 0.68588 1.00000
N2 N 0.95210 0.04790 0.31412 1.00000
O1 O 0.35407 0.64593 0.57886 1.00000
O2 O 0.64593 0.35407 0.42114 1.00000
