Sm3(SbSe)2
Alexandria ALEXAlex-ID: agm003308534 · 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
A2B2C3_466_spg12
SmSbSe SmSb Sm2Se3
2022-02-03 22:42:51.482013
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003308534).
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 agm003308534
data_agm003308534
_cell_length_a 4.33708
_cell_length_b 7.92686
_cell_length_c 8.37592
_cell_angle_alpha 119.36593
_cell_angle_beta 105.00491
_cell_angle_gamma 90.00000
_cell_volume 239.62861
_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
Sm1 Sm 0.00000 0.50000 0.00000 1.00000
Sm2 Sm 0.28200 0.75214 0.56400 1.00000
Sm3 Sm 0.71800 0.24786 0.43600 1.00000
Sb1 Sb 0.64152 0.79140 0.28305 1.00000
Sb2 Sb 0.35848 0.20860 0.71695 1.00000
Se1 Se 0.87230 0.66758 0.74461 1.00000
Se2 Se 0.12770 0.33242 0.25539 1.00000
获取直接链接