SbBrF2
Alexandria ALEXAlex-ID: agm005704741 · 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
ABC2_141_spg11
SbBr3 SbF3
2023-07-12 01:26:19.171470
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704741).
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 agm005704741
data_agm005704741
_cell_length_a 4.30742
_cell_length_b 6.00392
_cell_length_c 8.35364
_cell_angle_alpha 71.25998
_cell_angle_beta 89.99998
_cell_angle_gamma 89.99997
_cell_volume 204.58378
_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
Sb1 Sb 0.75000 0.25136 0.26304 1.00000
Sb2 Sb 0.25000 0.74864 0.73696 1.00000
Br1 Br 0.75000 0.70027 0.13667 1.00000
Br2 Br 0.25000 0.29973 0.86333 1.00000
F1 F 0.75000 0.72663 0.71216 1.00000
F2 F 0.25000 0.27337 0.28784 1.00000
F3 F 0.75000 0.22781 0.49924 1.00000
F4 F 0.25000 0.77219 0.50076 1.00000
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