K2PbF8
Alexandria ALEXAlex-ID: agm005874075 · 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
AB2C8_1503_spg12
KF5 KPbF5 K2PbF6
2023-10-16 00:37:45.627592
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005874075).
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 agm005874075
data_agm005874075
_cell_length_a 3.88025
_cell_length_b 6.95046
_cell_length_c 8.96151
_cell_angle_alpha 97.37093
_cell_angle_beta 90.32147
_cell_angle_gamma 106.37460
_cell_volume 229.74631
_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
Pb1 Pb 0.50000 0.00000 0.00000 1.00000
K1 K 0.73896 0.48670 0.77248 1.00000
K2 K 0.26104 0.51330 0.22752 1.00000
F1 F 0.45454 0.90678 0.21461 1.00000
F2 F 0.66587 0.32966 0.05069 1.00000
F3 F 0.75180 0.50121 0.48536 1.00000
F4 F 0.94340 0.88929 0.87749 1.00000
F5 F 0.24820 0.49879 0.51464 1.00000
F6 F 0.33413 0.67034 0.94931 1.00000
F7 F 0.54546 0.09322 0.78539 1.00000
F8 F 0.05660 0.11071 0.12251 1.00000
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