MgSnF4
Alexandria ALEXAlex-ID: agm005758583 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_2159_spg15
SnF2 MgF2
2023-07-28 07:14:36.488159
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758583).
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 agm005758583
data_agm005758583
_cell_length_a 5.50722
_cell_length_b 5.68430
_cell_length_c 7.13998
_cell_angle_alpha 113.45637
_cell_angle_beta 119.45016
_cell_angle_gamma 89.99538
_cell_volume 173.11246
_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
Mg1 Mg 0.75001 0.32565 0.00001 1.00000
Mg2 Mg 0.24999 0.67435 0.99999 1.00000
Sn1 Sn 0.00000 0.00000 0.50000 1.00000
Sn2 Sn 0.50000 0.50000 0.50000 1.00000
F1 F 0.92201 0.32728 0.79766 1.00000
F2 F 0.57795 0.52951 0.20232 1.00000
F3 F 0.07799 0.67272 0.20234 1.00000
F4 F 0.42205 0.47049 0.79768 1.00000
F5 F 0.98961 0.77073 0.74522 1.00000
F6 F 0.51038 0.02544 0.25479 1.00000
F7 F 0.01039 0.22927 0.25478 1.00000
F8 F 0.48962 0.97456 0.74521 1.00000
获取直接链接