KAcF14
Alexandria ALEXAlex-ID: agm005753786 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_58_spg74
KF8 KF12 AcF3
2023-07-18 21:30:51.574916
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753786).
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 agm005753786
data_agm005753786
_cell_length_a 8.71109
_cell_length_b 9.11664
_cell_length_c 9.11666
_cell_angle_alpha 82.94943
_cell_angle_beta 61.46083
_cell_angle_gamma 61.46098
_cell_volume 553.50478
_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 0.25000 0.30663 0.19337 1.00000
K2 K 0.75000 0.69337 0.80663 1.00000
Ac1 Ac 0.50000 0.00000 0.50000 1.00000
Ac2 Ac 0.00000 0.00000 0.50000 1.00000
F1 F 0.68228 0.36859 0.26685 1.00000
F2 F 0.31772 0.63141 0.73315 1.00000
F3 F 0.18228 0.76685 0.86859 1.00000
F4 F 0.81772 0.23315 0.13141 1.00000
F5 F 0.10327 0.25662 0.53683 1.00000
F6 F 0.89673 0.74338 0.46317 1.00000
F7 F 0.60327 0.03683 0.75662 1.00000
F8 F 0.39673 0.96317 0.24338 1.00000
F9 F 0.12609 0.06291 0.68490 1.00000
F10 F 0.87391 0.93709 0.31510 1.00000
F11 F 0.62609 0.18490 0.56291 1.00000
F12 F 0.37391 0.81510 0.43709 1.00000
F13 F 0.81564 0.58776 0.18415 1.00000
F14 F 0.58756 0.41224 0.81585 1.00000
F15 F 0.31564 0.68415 0.08776 1.00000
F16 F 0.08756 0.31585 0.91224 1.00000
F17 F 0.18436 0.41224 0.81585 1.00000
F18 F 0.41244 0.58776 0.18415 1.00000
F19 F 0.68436 0.31585 0.91224 1.00000
F20 F 0.91244 0.68415 0.08776 1.00000
F21 F 0.40258 0.95614 0.80654 1.00000
F22 F 0.16526 0.04386 0.19346 1.00000
F23 F 0.90258 0.30654 0.45614 1.00000
F24 F 0.66526 0.69346 0.54386 1.00000
F25 F 0.59742 0.04386 0.19346 1.00000
F26 F 0.83474 0.95614 0.80654 1.00000
F27 F 0.09742 0.69346 0.54386 1.00000
F28 F 0.33474 0.30654 0.45614 1.00000
