Sm5SbTe4
Alexandria ALEXAlex-ID: agm059084063 · 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
AB4C5_149_spg79
Sm3SbTe2 SmTe
2025-03-12 23:49:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059084063).
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 agm059084063
data_agm059084063
_cell_length_a 7.73230
_cell_length_b 7.73230
_cell_length_c 10.86931
_cell_angle_alpha 61.94986
_cell_angle_beta 118.05014
_cell_angle_gamma 146.54390
_cell_volume 312.10204
_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 0.80482 0.19518 0.20569 1.00000
Sm2 Sm 0.19518 0.80482 0.79431 1.00000
Sm3 Sm 0.59601 0.40399 0.40266 1.00000
Sm4 Sm 0.00000 0.00000 0.00000 1.00000
Sm5 Sm 0.40399 0.59601 0.59734 1.00000
Sb1 Sb 0.00000 0.00000 0.50000 1.00000
Te1 Te 0.39856 0.60144 0.09692 1.00000
Te2 Te 0.80078 0.19922 0.69948 1.00000
Te3 Te 0.19922 0.80078 0.30052 1.00000
Te4 Te 0.60144 0.39856 0.90308 1.00000
获取直接链接