LiV3O5F
Alexandria ALEXAlex-ID: agm005290244 · 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
ABC3D5_72_spg1
V3O5 LiF
2023-04-21 10:01:27.857645
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290244).
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 agm005290244
data_agm005290244
_cell_length_a 6.15090
_cell_length_b 5.39822
_cell_length_c 5.95358
_cell_angle_alpha 125.33230
_cell_angle_beta 87.68144
_cell_angle_gamma 125.83566
_cell_volume 116.70620
_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
Li1 Li 0.55673 0.13710 0.78622 1.00000
V1 V 0.90260 0.73190 0.69205 1.00000
V2 V 0.23568 0.82882 0.14703 1.00000
V3 V 0.92419 0.08949 0.47501 1.00000
O1 O 0.15224 0.97851 0.52047 1.00000
O2 O 0.62368 0.08507 0.40913 1.00000
O3 O 0.91240 0.81829 0.06238 1.00000
O4 O 0.92330 0.20099 0.85904 1.00000
O5 O 0.20726 0.67734 0.73950 1.00000
F1 F 0.56191 0.45248 0.30916 1.00000
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