Li3V5O12
Alexandria ALEXAlex-ID: agm005284604 · 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
A3B5C12_28_spg1
Li3VO4 VO2
2023-05-08 02:21:42.057941
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284604).
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 agm005284604
data_agm005284604
_cell_length_a 5.05030
_cell_length_b 5.36718
_cell_length_c 7.41395
_cell_angle_alpha 95.44318
_cell_angle_beta 90.46471
_cell_angle_gamma 90.64538
_cell_volume 200.03398
_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 0.50582 0.06665 0.21118 1.00000
Li2 Li 0.00545 0.56900 0.21770 1.00000
Li3 Li 0.49417 0.06717 0.71370 1.00000
V1 V 0.00492 0.01144 0.99660 1.00000
V2 V 0.48910 0.48887 0.49872 1.00000
V3 V 0.99453 0.99947 0.48159 1.00000
V4 V 0.51061 0.50404 0.00993 1.00000
V5 V 0.99958 0.59321 0.71357 1.00000
O1 O 0.28691 0.77747 0.58924 1.00000
O2 O 0.12394 0.96450 0.26446 1.00000
O3 O 0.30919 0.15529 0.95995 1.00000
O4 O 0.17920 0.27764 0.58628 1.00000
O5 O 0.81299 0.26810 0.07743 1.00000
O6 O 0.38710 0.46317 0.26797 1.00000
O7 O 0.63410 0.45994 0.75603 1.00000
O8 O 0.17535 0.65100 0.95093 1.00000
O9 O 0.82721 0.66361 0.46934 1.00000
O10 O 0.69497 0.77235 0.07937 1.00000
O11 O 0.87105 0.95875 0.77410 1.00000
O12 O 0.69382 0.14754 0.45231 1.00000
获取直接链接