TePbI
Alexandria ALEXAlex-ID: agm003598538 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_828_spg8
TePb PbI2 Te
2022-03-10 06:07:05.459120
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003598538).
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
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# CIF generated by HEAS from Alexandria entry agm003598538
data_agm003598538
_cell_length_a 5.99053
_cell_length_b 4.70466
_cell_length_c 10.46165
_cell_angle_alpha 78.41282
_cell_angle_beta 61.83672
_cell_angle_gamma 70.09806
_cell_volume 244.12497
_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 0.81879 0.52786 0.48122 1.00000
Te2 Te 0.29198 0.64858 0.52854 1.00000
Pb1 Pb 0.12730 0.99177 0.27701 1.00000
Pb2 Pb 0.05461 0.71033 0.86368 1.00000
I1 I 0.46804 0.02818 0.84902 1.00000
I2 I 0.69303 0.27234 0.12165 1.00000
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