K2TmF6
Alexandria ALEXAlex-ID: agm003488134 · 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_843_spg71
K2TmF5 KF3 KTmF4
2022-02-24 13:36:33.245867
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003488134).
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 agm003488134
data_agm003488134
_cell_length_a 3.95120
_cell_length_b 6.32602
_cell_length_c 7.11830
_cell_angle_alpha 116.38169
_cell_angle_beta 102.94714
_cell_angle_gamma 90.00000
_cell_volume 154.32880
_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 0.66323 0.66890 0.33781 1.00000
K2 K 0.33677 0.33110 0.66219 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
F1 F 0.13961 0.35591 0.27754 1.00000
F2 F 0.86039 0.07838 0.72246 1.00000
F3 F 0.86039 0.64409 0.72246 1.00000
F4 F 0.50000 0.19600 0.00000 1.00000
F5 F 0.13961 0.92162 0.27754 1.00000
F6 F 0.50000 0.80400 1.00000 1.00000
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