VO
Alexandria ALEXAlex-ID: agm002176972 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_159_spg12
V2O3 V
2018-06-09 14:28:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002176972).
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 agm002176972
data_agm002176972
_cell_length_a 4.21066
_cell_length_b 5.24974
_cell_length_c 5.99044
_cell_angle_alpha 108.01614
_cell_angle_beta 90.00006
_cell_angle_gamma 113.63812
_cell_volume 114.18496
_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
O1 O 0.50000 0.00000 0.00000 1.00000
O2 O 0.81255 0.62507 0.17113 1.00000
O3 O 0.18745 0.37493 0.82887 1.00000
O4 O 0.82090 0.64188 0.64844 1.00000
O5 O 0.17910 0.35812 0.35156 1.00000
V1 V 0.64716 0.29410 0.32242 1.00000
V2 V 0.35284 0.70590 0.67758 1.00000
V3 V 0.66187 0.32378 0.82126 1.00000
V4 V 0.33813 0.67622 0.17874 1.00000
V5 V 0.00000 0.00000 0.50000 1.00000
获取直接链接