InGeF5
Alexandria ALEXAlex-ID: agm005779010 · 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
ABC5_401_spg71
InF3 GeF2
2023-07-14 04:29:59.941430
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779010).
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 agm005779010
data_agm005779010
_cell_length_a 5.75668
_cell_length_b 5.75668
_cell_length_c 11.41071
_cell_angle_alpha 70.72737
_cell_angle_beta 101.49702
_cell_angle_gamma 137.80390
_cell_volume 239.14343
_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
In1 In 0.24919 0.49919 0.25000 1.00000
In2 In 0.75081 0.50081 0.75000 1.00000
Ge1 Ge 0.00001 0.00001 0.00000 1.00000
Ge2 Ge 0.49999 0.99999 0.50000 1.00000
F1 F 0.11872 0.75068 0.12977 1.00000
F2 F 0.09878 0.49342 0.40606 1.00000
F3 F 0.61955 0.75151 0.62977 1.00000
F4 F 0.74919 0.99919 0.25000 1.00000
F5 F 0.39948 0.50484 0.09394 1.00000
F6 F 0.60051 0.49515 0.90606 1.00000
F7 F 0.25081 0.00081 0.75000 1.00000
F8 F 0.38045 0.24849 0.37023 1.00000
F9 F 0.90124 0.50660 0.59394 1.00000
F10 F 0.88128 0.24932 0.87023 1.00000
获取直接链接