K6O2F
Alexandria ALEXAlex-ID: agm005689155 · 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
AB2C6_1739_spg12
K4O K2O KF
2023-07-09 00:43:43.083631
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689155).
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 agm005689155
data_agm005689155
_cell_length_a 4.03777
_cell_length_b 7.88197
_cell_length_c 12.18009
_cell_angle_alpha 120.63517
_cell_angle_beta 90.00000
_cell_angle_gamma 104.84111
_cell_volume 318.41371
_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 0.03177 0.06353 0.74639 1.00000
K2 K 0.70451 0.40901 0.07054 1.00000
K3 K 0.29549 0.59099 0.92946 1.00000
K4 K 0.64030 0.28061 0.60525 1.00000
K5 K 0.35970 0.71939 0.39475 1.00000
K6 K 0.96823 0.93647 0.25361 1.00000
O1 O 0.65979 0.31958 0.82490 1.00000
O2 O 0.34021 0.68042 0.17510 1.00000
F1 F 0.00000 0.00000 0.50000 1.00000
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