Cs2Pb2Se2S
Alexandria ALEXAlex-ID: agm004545192 · 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
AB2C2D2_142_spg12
Cs2PbSe2 PbS
2022-06-23 02:42:21.619639
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004545192).
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 agm004545192
data_agm004545192
_cell_length_a 4.99536
_cell_length_b 8.31720
_cell_length_c 8.72436
_cell_angle_alpha 59.12815
_cell_angle_beta 89.94777
_cell_angle_gamma 72.44701
_cell_volume 291.34340
_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
Cs1 Cs 0.54808 0.90563 0.77187 1.00000
Cs2 Cs 0.45192 0.09437 0.22813 1.00000
Pb1 Pb 0.80135 0.39719 0.70523 1.00000
Pb2 Pb 0.19865 0.60281 0.29477 1.00000
Se1 Se 0.83505 0.33038 0.41563 1.00000
Se2 Se 0.16495 0.66962 0.58437 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
获取直接链接