Sm2ThSb3
Alexandria ALEXAlex-ID: agm005656379 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_35_spg14
SmThSb2 Sm3ThSb4
2023-08-24 17:51:47.713991
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656379).
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 agm005656379
data_agm005656379
_cell_length_a 6.35186
_cell_length_b 8.95376
_cell_length_c 13.45455
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99869
_cell_volume 765.20153
_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 0.25077 0.87488 0.75021 1.00000
Sm2 Sm 0.25077 0.37488 0.74979 1.00000
Sm3 Sm 0.24963 0.87652 0.41665 1.00000
Sm4 Sm 0.24963 0.37652 0.08335 1.00000
Sm5 Sm 0.75037 0.62348 0.91665 1.00000
Sm6 Sm 0.75037 0.12348 0.58335 1.00000
Sm7 Sm 0.74923 0.62512 0.25021 1.00000
Sm8 Sm 0.74923 0.12512 0.24979 1.00000
Th1 Th 0.24963 0.87436 0.08278 1.00000
Th2 Th 0.24963 0.37436 0.41722 1.00000
Th3 Th 0.75037 0.62564 0.58278 1.00000
Th4 Th 0.75037 0.12564 0.91722 1.00000
Sb1 Sb 0.25038 0.62674 0.58388 1.00000
Sb2 Sb 0.25038 0.12674 0.91612 1.00000
Sb3 Sb 0.25036 0.62439 0.91623 1.00000
Sb4 Sb 0.25036 0.12439 0.58377 1.00000
Sb5 Sb 0.24925 0.62507 0.25034 1.00000
Sb6 Sb 0.24925 0.12507 0.24966 1.00000
Sb7 Sb 0.75075 0.87493 0.75034 1.00000
Sb8 Sb 0.75075 0.37493 0.74966 1.00000
Sb9 Sb 0.74964 0.87561 0.41623 1.00000
Sb10 Sb 0.74964 0.37561 0.08377 1.00000
Sb11 Sb 0.74962 0.87326 0.08388 1.00000
Sb12 Sb 0.74962 0.37326 0.41612 1.00000
