K6IF2
Alexandria ALEXAlex-ID: agm097948804 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_4347_spg65
KI K KF
2025-04-06 22:31:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097948804).
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 agm097948804
data_agm097948804
_cell_length_a 6.62126
_cell_length_b 7.11115
_cell_length_c 12.82030
_cell_angle_alpha 90.18167
_cell_angle_beta 89.87232
_cell_angle_gamma 90.99771
_cell_volume 603.54498
_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 0.40175 0.60764 0.99138 1.00000
K2 K 0.40408 0.60375 0.50787 1.00000
K3 K 0.03748 0.59402 0.25073 1.00000
K4 K 0.90219 0.61606 0.74903 1.00000
K5 K 0.39308 0.96479 0.25113 1.00000
K6 K 0.39893 0.10999 0.74900 1.00000
I1 I 0.55037 0.42790 0.24879 1.00000
F1 F 0.20546 0.78849 0.11357 1.00000
F2 F 0.20667 0.78735 0.38851 1.00000
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