V2(OF)3
Alexandria ALEXAlex-ID: agm005289437 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_174_spg1
VOF2 V2O5 VOF3
2023-04-21 05:09:55.526016
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005289437).
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 agm005289437
data_agm005289437
_cell_length_a 5.27463
_cell_length_b 7.47311
_cell_length_c 5.39448
_cell_angle_alpha 134.69993
_cell_angle_beta 76.26519
_cell_angle_gamma 134.11768
_cell_volume 94.32607
_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
V1 V 0.23568 0.84596 0.41757 1.00000
V2 V 0.21781 0.31624 0.40051 1.00000
O1 O 0.18939 0.05502 0.43416 1.00000
O2 O 0.69469 0.45005 0.31167 1.00000
O3 O 0.32242 0.07535 0.93757 1.00000
F1 F 0.31279 0.57806 0.30630 1.00000
F2 F 0.63992 0.84787 0.97461 1.00000
F3 F 0.88730 0.33144 0.71761 1.00000
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