K2LiMgF5
Alexandria ALEXAlex-ID: agm005152141 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_219_spg36
K2MgF4 LiF
2023-01-09 12:33:05.027117
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152141).
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 agm005152141
data_agm005152141
_cell_length_a 3.27151
_cell_length_b 7.55016
_cell_length_c 11.21262
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.51247
_cell_volume 270.37875
_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 0.86371 0.72742 0.81425 1.00000
K2 K 0.09561 0.19122 0.66517 1.00000
K3 K 0.13629 0.27258 0.31425 1.00000
K4 K 0.90439 0.80878 0.16517 1.00000
Li1 Li 0.56036 0.12072 0.94186 1.00000
Li2 Li 0.43964 0.87928 0.44186 1.00000
Mg1 Mg 0.79182 0.58364 0.52427 1.00000
Mg2 Mg 0.20818 0.41636 0.02427 1.00000
F1 F 0.33924 0.67848 0.00217 1.00000
F2 F 0.69060 0.38120 0.90879 1.00000
F3 F 0.50225 0.00450 0.79834 1.00000
F4 F 0.28588 0.57176 0.64090 1.00000
F5 F 0.92951 0.85901 0.52823 1.00000
F6 F 0.66076 0.32152 0.50217 1.00000
F7 F 0.30940 0.61880 0.40879 1.00000
F8 F 0.49775 0.99550 0.29834 1.00000
F9 F 0.71412 0.42824 0.14090 1.00000
F10 F 0.07049 0.14099 0.02823 1.00000
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