Cs2GeF
Alexandria ALEXAlex-ID: agm005493655 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_784_spg122
CsGe CsF
2023-03-18 22:58:11.079295
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005493655).
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 agm005493655
data_agm005493655
_cell_length_a 7.91093
_cell_length_b 7.91093
_cell_length_c 7.91093
_cell_angle_alpha 113.27396
_cell_angle_beta 113.27396
_cell_angle_gamma 102.10734
_cell_volume 376.48325
_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 0.21569 0.62500 0.09069 1.00000
Cs2 Cs 0.53431 0.12500 0.90931 1.00000
Cs3 Cs 0.37500 0.46569 0.59069 1.00000
Cs4 Cs 0.87500 0.78431 0.40931 1.00000
Ge1 Ge 0.75000 0.25000 0.50000 1.00000
Ge2 Ge 0.00000 0.00000 0.00000 1.00000
F1 F 0.25000 0.75000 0.50000 1.00000
F2 F 0.50000 0.50000 0.00000 1.00000
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