K5Ho2F12
Alexandria ALEXAlex-ID: agm005671075 · 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
A2B5C12_124_spg12
K2HoF5 KF3 K3HoF6
2023-06-23 06:12:57.398917
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671075).
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
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# CIF generated by HEAS from Alexandria entry agm005671075
data_agm005671075
_cell_length_a 6.66763
_cell_length_b 7.73615
_cell_length_c 7.73615
_cell_angle_alpha 61.98994
_cell_angle_beta 84.47288
_cell_angle_gamma 84.47290
_cell_volume 350.07126
_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 0.04733 0.24225 0.24225 1.00000
K2 K 0.54098 0.35105 0.35105 1.00000
K3 K 0.50000 0.00000 0.00000 1.00000
K4 K 0.45902 0.64895 0.64895 1.00000
K5 K 0.95267 0.75775 0.75775 1.00000
Ho1 Ho 1.00000 0.74579 0.25421 1.00000
Ho2 Ho 0.00000 0.25421 0.74579 1.00000
F1 F 0.86711 0.07144 0.07145 1.00000
F2 F 0.22593 0.17434 0.56038 1.00000
F3 F 0.22593 0.56038 0.17434 1.00000
F4 F 0.76661 0.09431 0.69798 1.00000
F5 F 0.76661 0.69798 0.09431 1.00000
F6 F 0.86414 0.44111 0.44111 1.00000
F7 F 0.13586 0.55889 0.55889 1.00000
F8 F 0.23339 0.90569 0.30202 1.00000
F9 F 0.23339 0.30202 0.90569 1.00000
F10 F 0.77407 0.82566 0.43962 1.00000
F11 F 0.77407 0.43962 0.82566 1.00000
F12 F 0.13289 0.92856 0.92855 1.00000
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