K4MoF12
Alexandria ALEXAlex-ID: agm099401645 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C12_645_spg1
KF3 K2MoF8 KF
2025-04-14 22:17:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099401645).
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 agm099401645
data_agm099401645
_cell_length_a 9.03403
_cell_length_b 9.03403
_cell_length_c 4.08890
_cell_angle_alpha 90.45932
_cell_angle_beta 89.54068
_cell_angle_gamma 92.17840
_cell_volume 333.44790
_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 0.96580 0.03420 0.98018 1.00000
K2 K 0.93297 0.46585 0.11153 1.00000
K3 K 0.53415 0.06703 0.11153 1.00000
K4 K 0.53008 0.46992 0.13872 1.00000
Mo1 Mo 0.23559 0.76441 0.34849 1.00000
F1 F 0.02043 0.76555 0.34784 1.00000
F2 F 0.00893 0.26009 0.56787 1.00000
F3 F 0.45031 0.77016 0.33685 1.00000
F4 F 0.51042 0.25964 0.62942 1.00000
F5 F 0.23445 0.97957 0.34784 1.00000
F6 F 0.22984 0.54969 0.33685 1.00000
F7 F 0.73991 0.99107 0.56787 1.00000
F8 F 0.74036 0.48958 0.62942 1.00000
F9 F 0.23433 0.76567 0.84793 1.00000
F10 F 0.32881 0.25829 0.91012 1.00000
F11 F 0.74171 0.67119 0.91012 1.00000
F12 F 0.80293 0.19707 0.37548 1.00000
获取直接链接