MnSnF4
Alexandria ALEXAlex-ID: agm003753151 · 空间群: I4_1md (#109)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_22_spg109
SnF2 MnF2
2022-04-18 11:44:24.090112
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003753151).
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 agm003753151
data_agm003753151
_cell_length_a 6.35621
_cell_length_b 6.35621
_cell_length_c 6.35621
_cell_angle_alpha 108.87058
_cell_angle_beta 108.87058
_cell_angle_gamma 110.67930
_cell_volume 197.61886
_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
Mn1 Mn 0.25606 0.25606 0.00000 1.00000
Mn2 Mn 0.00606 0.50606 0.50000 1.00000
Sn1 Sn 0.75486 0.75486 0.00000 1.00000
Sn2 Sn 0.50486 0.00486 0.50000 1.00000
F1 F 0.22259 0.92432 0.70173 1.00000
F2 F 0.77193 0.45447 0.68254 1.00000
F3 F 0.67432 0.47259 0.20173 1.00000
F4 F 0.20447 0.02193 0.18254 1.00000
F5 F 0.27086 0.47259 0.79827 1.00000
F6 F 0.83939 0.02193 0.81746 1.00000
F7 F 0.77193 0.08939 0.31746 1.00000
F8 F 0.22259 0.52086 0.29827 1.00000
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