PmSb2F8
Alexandria ALEXAlex-ID: agm005997766 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_582_spg12
SbF3 Sb PmF3
2023-10-17 07:26:01.706638
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997766).
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 agm005997766
data_agm005997766
_cell_length_a 5.00920
_cell_length_b 7.28493
_cell_length_c 7.26196
_cell_angle_alpha 131.88811
_cell_angle_beta 96.14859
_cell_angle_gamma 83.57842
_cell_volume 195.85373
_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 0.33859 0.28071 0.72011 1.00000
Sb2 Sb 0.66141 0.71929 0.27987 1.00000
F1 F 0.05413 0.72002 0.27666 1.00000
F2 F 0.94587 0.27998 0.72329 1.00000
F3 F 0.70324 0.88424 0.11664 1.00000
F4 F 0.22952 0.18401 0.36930 1.00000
F5 F 0.23089 0.63053 0.81528 1.00000
F6 F 0.29676 0.11576 0.88335 1.00000
F7 F 0.77048 0.81599 0.63069 1.00000
F8 F 0.76911 0.36947 0.18472 1.00000
Pm1 Pm 0.00000 0.00000 0.99999 1.00000
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