Li3V5O10
Alexandria ALEXAlex-ID: agm003282011 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C10_24_spg2
Li3VO4 V2O3
2022-01-14 02:37:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003282011).
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 agm003282011
data_agm003282011
_cell_length_a 5.17256
_cell_length_b 5.19301
_cell_length_c 7.86489
_cell_angle_alpha 74.45794
_cell_angle_beta 73.43991
_cell_angle_gamma 76.65016
_cell_volume 192.34199
_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 0.00000 0.50000 0.50000 1.00000
Li2 Li 0.52418 0.80476 0.39033 1.00000
Li3 Li 0.47582 0.19524 0.60967 1.00000
V1 V 0.50000 0.00000 0.00000 1.00000
V2 V 0.01892 0.88010 0.68808 1.00000
V3 V 0.98108 0.11990 0.31192 1.00000
V4 V 0.96295 0.30771 0.90143 1.00000
V5 V 0.03705 0.69229 0.09857 1.00000
O1 O 0.22340 0.95674 0.85946 1.00000
O2 O 0.77660 0.04326 0.14054 1.00000
O3 O 0.78957 0.89417 0.51871 1.00000
O4 O 0.21043 0.10583 0.48129 1.00000
O5 O 0.78564 0.67706 0.94077 1.00000
O6 O 0.21436 0.32294 0.05923 1.00000
O7 O 0.25884 0.80318 0.22726 1.00000
O8 O 0.74116 0.19682 0.77274 1.00000
O9 O 0.19141 0.54267 0.66994 1.00000
O10 O 0.80859 0.45733 0.33006 1.00000
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