K4Sb2PbF14
Alexandria ALEXAlex-ID: agm020073869 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4D14_14_spg2
K2SbF5 KSbF6 KPbF3
2024-12-17 18:11:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020073869).
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 agm020073869
data_agm020073869
_cell_length_a 6.83999
_cell_length_b 7.64529
_cell_length_c 7.83278
_cell_angle_alpha 91.90646
_cell_angle_beta 91.91467
_cell_angle_gamma 114.95910
_cell_volume 370.63703
_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 0.28501 0.55054 0.14294 1.00000
K2 K 0.85138 0.72951 0.41217 1.00000
K3 K 0.71499 0.44946 0.85706 1.00000
K4 K 0.14862 0.27049 0.58783 1.00000
Sb1 Sb 0.39452 0.81049 0.68093 1.00000
Sb2 Sb 0.60548 0.18951 0.31907 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
F1 F 0.91975 0.37041 0.33040 1.00000
F2 F 0.28951 0.10748 0.86824 1.00000
F3 F 0.42698 0.65879 0.48158 1.00000
F4 F 0.71049 0.89252 0.13176 1.00000
F5 F 0.95359 0.24602 0.93229 1.00000
F6 F 0.27710 0.93728 0.49112 1.00000
F7 F 0.04641 0.75398 0.06771 1.00000
F8 F 0.83604 0.85446 0.76909 1.00000
F9 F 0.08025 0.62959 0.66960 1.00000
F10 F 0.16396 0.14554 0.23091 1.00000
F11 F 0.40005 0.57544 0.81360 1.00000
F12 F 0.59995 0.42456 0.18640 1.00000
F13 F 0.72290 0.06272 0.50888 1.00000
F14 F 0.57302 0.34121 0.51842 1.00000
