Cs2Ge2Te5
Alexandria ALEXAlex-ID: agm003316615 · 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
A2B2C5_290_spg12
Cs2Ge2Te5
2022-01-19 21:09:36.777836
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003316615).
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 agm003316615
data_agm003316615
_cell_length_a 5.23114
_cell_length_b 7.82749
_cell_length_c 10.52706
_cell_angle_alpha 106.14947
_cell_angle_beta 90.00000
_cell_angle_gamma 109.52095
_cell_volume 388.17791
_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 0.40598 0.81196 0.65805 1.00000
Cs2 Cs 0.59402 0.18804 0.34195 1.00000
Ge1 Ge 0.16441 0.32883 0.88776 1.00000
Ge2 Ge 0.83559 0.67117 0.11224 1.00000
Te1 Te 0.36532 0.73065 0.01603 1.00000
Te2 Te 0.63468 0.26935 0.98397 1.00000
Te3 Te 0.10470 0.20940 0.63026 1.00000
Te4 Te 0.89530 0.79060 0.36974 1.00000
Te5 Te 0.00000 0.00000 0.00000 1.00000
