KGe2F6
Alexandria ALEXAlex-ID: agm097227243 · 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
AB2C6_2110_spg38
GeF2 K2GeF6
2025-04-06 23:06:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097227243).
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 agm097227243
data_agm097227243
_cell_length_a 5.56077
_cell_length_b 4.85838
_cell_length_c 7.06886
_cell_angle_alpha 94.08028
_cell_angle_beta 91.10605
_cell_angle_gamma 90.32087
_cell_volume 190.45054
_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
K1 K 0.74326 0.39945 0.33258 1.00000
Ge1 Ge 0.74025 0.85217 0.89496 1.00000
Ge2 Ge 0.22909 0.85522 0.50226 1.00000
F1 F 0.69486 0.50001 0.96756 1.00000
F2 F 0.25643 0.48590 0.45314 1.00000
F3 F 0.01585 0.90490 0.30308 1.00000
F4 F 0.89363 0.72080 0.66356 1.00000
F5 F 0.50087 0.92999 0.37283 1.00000
F6 F 0.42575 0.85156 0.76003 1.00000
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