K2AgF4
Alexandria ALEXAlex-ID: agm005279801 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_25_spg64
KAgF3 KF
2023-05-06 15:11:22.607411
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005279801).
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 agm005279801
data_agm005279801
_cell_length_a 7.24104
_cell_length_b 7.24104
_cell_length_c 6.46643
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 130.28947
_cell_volume 258.62414
_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 0.35697 0.64303 0.97623 1.00000
K2 K 0.64303 0.35697 0.02377 1.00000
K3 K 0.14303 0.85697 0.47623 1.00000
K4 K 0.85697 0.14303 0.52377 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Ag2 Ag 0.50000 0.50000 0.50000 1.00000
F1 F 0.26995 0.23005 0.75000 1.00000
F2 F 0.73005 0.76995 0.25000 1.00000
F3 F 0.23005 0.26995 0.25000 1.00000
F4 F 0.76995 0.73005 0.75000 1.00000
F5 F 0.33507 0.66493 0.56425 1.00000
F6 F 0.66493 0.33507 0.43575 1.00000
F7 F 0.16493 0.83507 0.06425 1.00000
F8 F 0.83507 0.16493 0.93575 1.00000
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