GaSnF3
Alexandria ALEXAlex-ID: agm002209652 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_15_spg11
Sn GaF3
2018-07-10 15:16:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002209652).
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 agm002209652
data_agm002209652
_cell_length_a 4.45319
_cell_length_b 6.08694
_cell_length_c 7.63028
_cell_angle_alpha 90.00049
_cell_angle_beta 106.37786
_cell_angle_gamma 89.99983
_cell_volume 198.43639
_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
Sn1 Sn 0.57485 0.25000 0.63667 1.00000
Sn2 Sn 0.42515 0.75000 0.36333 1.00000
Ga1 Ga 0.81067 0.24999 0.12465 1.00000
Ga2 Ga 0.18933 0.74999 0.87535 1.00000
F1 F 0.68098 0.02640 0.85661 1.00000
F2 F 0.31902 0.52640 0.14338 1.00000
F3 F 0.90213 0.75000 0.31495 1.00000
F4 F 0.09787 0.25000 0.68505 1.00000
F5 F 0.31902 0.97360 0.14339 1.00000
F6 F 0.68098 0.47360 0.85662 1.00000
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