SnTe2(RhBr2)3
Alexandria ALEXAlex-ID: agm071483000 · 空间群: P4_332 (#212)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_651_spg212
TeRhBr SnBr2 Rh RhBr3
2024-09-09 07:55:28.076175
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071483000).
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 agm071483000
data_agm071483000
_cell_length_a 11.17089
_cell_length_b 11.17089
_cell_length_c 11.17089
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1394.00191
_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
Sn1 Sn 0.12500 0.12500 0.12500 1.00000
Sn2 Sn 0.37500 0.87500 0.62500 1.00000
Sn3 Sn 0.87500 0.62500 0.37500 1.00000
Sn4 Sn 0.62500 0.37500 0.87500 1.00000
Te1 Te 0.37807 0.37807 0.37807 1.00000
Te2 Te 0.12193 0.62193 0.87807 1.00000
Te3 Te 0.62193 0.87807 0.12193 1.00000
Te4 Te 0.87807 0.12193 0.62193 1.00000
Te5 Te 0.62807 0.12807 0.37193 1.00000
Te6 Te 0.87193 0.87193 0.87193 1.00000
Te7 Te 0.12807 0.37193 0.62807 1.00000
Te8 Te 0.37193 0.62807 0.12807 1.00000
Rh1 Rh 0.12500 0.60317 0.64683 1.00000
Rh2 Rh 0.37500 0.39683 0.14683 1.00000
Rh3 Rh 0.87500 0.10317 0.85317 1.00000
Rh4 Rh 0.62500 0.89683 0.35317 1.00000
Rh5 Rh 0.64683 0.12500 0.60317 1.00000
Rh6 Rh 0.14683 0.37500 0.39683 1.00000
Rh7 Rh 0.85317 0.87500 0.10317 1.00000
Rh8 Rh 0.35317 0.62500 0.89683 1.00000
Rh9 Rh 0.60317 0.64683 0.12500 1.00000
Rh10 Rh 0.39683 0.14683 0.37500 1.00000
Rh11 Rh 0.10317 0.85317 0.87500 1.00000
Rh12 Rh 0.89683 0.35317 0.62500 1.00000
Br1 Br 0.35836 0.39371 0.90166 1.00000
Br2 Br 0.14164 0.60629 0.40166 1.00000
Br3 Br 0.64164 0.89371 0.59834 1.00000
Br4 Br 0.85836 0.10629 0.09834 1.00000
Br5 Br 0.90166 0.35836 0.39371 1.00000
Br6 Br 0.40166 0.14164 0.60629 1.00000
Br7 Br 0.59834 0.64164 0.89371 1.00000
Br8 Br 0.09834 0.85836 0.10629 1.00000
Br9 Br 0.39371 0.90166 0.35836 1.00000
Br10 Br 0.60629 0.40166 0.14164 1.00000
Br11 Br 0.89371 0.59834 0.64164 1.00000
Br12 Br 0.10629 0.09834 0.85836 1.00000
Br13 Br 0.64371 0.10836 0.84834 1.00000
Br14 Br 0.85629 0.89164 0.34834 1.00000
Br15 Br 0.14371 0.39164 0.15166 1.00000
Br16 Br 0.35629 0.60836 0.65166 1.00000
Br17 Br 0.60836 0.65166 0.35629 1.00000
Br18 Br 0.39164 0.15166 0.14371 1.00000
Br19 Br 0.89164 0.34834 0.85629 1.00000
Br20 Br 0.10836 0.84834 0.64371 1.00000
Br21 Br 0.15166 0.14371 0.39164 1.00000
Br22 Br 0.65166 0.35629 0.60836 1.00000
Br23 Br 0.84834 0.64371 0.10836 1.00000
Br24 Br 0.34834 0.85629 0.89164 1.00000
