YSb2F8
Alexandria ALEXAlex-ID: agm005996433 · 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 YF3
2023-10-17 20:00:32.304583
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996433).
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 agm005996433
data_agm005996433
_cell_length_a 4.99964
_cell_length_b 7.18717
_cell_length_c 7.15641
_cell_angle_alpha 132.26896
_cell_angle_beta 95.98511
_cell_angle_gamma 83.58682
_cell_volume 188.95300
_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
Y1 Y 0.00000 0.00000 0.99999 1.00000
Sb1 Sb 0.33263 0.28179 0.71951 1.00000
Sb2 Sb 0.66737 0.71821 0.28047 1.00000
F1 F 0.06243 0.71427 0.28024 1.00000
F2 F 0.93757 0.28573 0.71972 1.00000
F3 F 0.71971 0.88409 0.11707 1.00000
F4 F 0.23071 0.18007 0.35956 1.00000
F5 F 0.23286 0.63947 0.81741 1.00000
F6 F 0.28028 0.11592 0.88293 1.00000
F7 F 0.76929 0.81992 0.64043 1.00000
F8 F 0.76714 0.36053 0.18258 1.00000
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