LiVMoO6
Alexandria ALEXAlex-ID: agm005278701 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_617_spg8
LiVO3 MoO3
2023-04-21 03:18:17.983709
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005278701).
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 agm005278701
data_agm005278701
_cell_length_a 5.09893
_cell_length_b 5.09893
_cell_length_c 6.78637
_cell_angle_alpha 69.44156
_cell_angle_beta 69.44156
_cell_angle_gamma 42.68169
_cell_volume 110.78636
_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 0.98056 0.98056 0.02649 1.00000
V1 V 0.19178 0.19178 0.34228 1.00000
Mo1 Mo 0.81792 0.81792 0.64189 1.00000
O1 O 0.31179 0.31179 0.55672 1.00000
O2 O 0.69989 0.69989 0.42507 1.00000
O3 O 0.02610 0.02610 0.29873 1.00000
O4 O 0.97550 0.97550 0.71994 1.00000
O5 O 0.33311 0.33311 0.10720 1.00000
O6 O 0.66334 0.66334 0.88169 1.00000
获取直接链接