Sm2BiTe
Alexandria ALEXAlex-ID: agm005666038 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_128_spg148
Sm3Bi2Te SmTe
2023-07-13 16:34:19.573715
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666038).
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 agm005666038
data_agm005666038
_cell_length_a 9.96330
_cell_length_b 9.96330
_cell_length_c 9.96331
_cell_angle_alpha 107.50041
_cell_angle_beta 107.50042
_cell_angle_gamma 107.50040
_cell_volume 812.16908
_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 0.72513 0.57526 0.18646 1.00000
Sm2 Sm 0.18646 0.72513 0.57526 1.00000
Sm3 Sm 0.42474 0.81354 0.27487 1.00000
Sm4 Sm 0.57526 0.18646 0.72513 1.00000
Sm5 Sm 0.27487 0.42474 0.81354 1.00000
Sm6 Sm 0.81354 0.27487 0.42474 1.00000
Sm7 Sm 0.65991 0.88506 0.96355 1.00000
Sm8 Sm 0.96355 0.65991 0.88506 1.00000
Sm9 Sm 0.88506 0.96355 0.65991 1.00000
Sm10 Sm 0.34009 0.11494 0.03645 1.00000
Sm11 Sm 0.03645 0.34009 0.11494 1.00000
Sm12 Sm 0.11494 0.03645 0.34009 1.00000
Bi1 Bi 0.46292 0.17057 0.38570 1.00000
Bi2 Bi 0.17057 0.38570 0.46292 1.00000
Bi3 Bi 0.38570 0.46292 0.17057 1.00000
Bi4 Bi 0.53708 0.82943 0.61430 1.00000
Bi5 Bi 0.82943 0.61430 0.53708 1.00000
Bi6 Bi 0.61430 0.53708 0.82943 1.00000
Te1 Te 0.22748 0.07437 0.68521 1.00000
Te2 Te 0.77252 0.92563 0.31479 1.00000
Te3 Te 0.92563 0.31479 0.77252 1.00000
Te4 Te 0.31479 0.77252 0.92563 1.00000
Te5 Te 0.07437 0.68521 0.22748 1.00000
Te6 Te 0.68521 0.22748 0.07437 1.00000
