TePbBr
Alexandria ALEXAlex-ID: agm005651010 · 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
ABC_80_spg166
PbBr2 Te TePb
2023-06-17 02:00:16.336417
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651010).
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 agm005651010
data_agm005651010
_cell_length_a 5.22808
_cell_length_b 5.22812
_cell_length_c 9.28328
_cell_angle_alpha 97.47008
_cell_angle_beta 101.94914
_cell_angle_gamma 113.67532
_cell_volume 220.82221
_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
Te1 Te 0.22004 0.23364 0.45366 1.00000
Te2 Te 0.77996 0.76636 0.54634 1.00000
Pb1 Pb 0.81127 0.42809 0.23936 1.00000
Pb2 Pb 0.18873 0.57191 0.76064 1.00000
Br1 Br 0.62533 0.23717 0.86249 1.00000
Br2 Br 0.37467 0.76283 0.13751 1.00000
获取直接链接