V4O9
Alexandria ALEXAlex-ID: agm005291386 · 空间群: P4/n (#85)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B9_18_spg85
V4O9
2023-05-10 22:43:20.210709
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005291386).
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 agm005291386
data_agm005291386
_cell_length_a 8.51967
_cell_length_b 8.51967
_cell_length_c 4.73477
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 343.67205
_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
V1 V 0.78457 0.09573 0.62532 1.00000
V2 V 0.09573 0.21543 0.37468 1.00000
V3 V 0.59573 0.71543 0.62532 1.00000
V4 V 0.28457 0.59573 0.37468 1.00000
V5 V 0.21543 0.90427 0.62532 1.00000
V6 V 0.40427 0.28457 0.62532 1.00000
V7 V 0.71543 0.40427 0.37468 1.00000
V8 V 0.90427 0.78457 0.37468 1.00000
O1 O 0.00000 0.00000 0.50000 1.00000
O2 O 0.50000 0.50000 0.50000 1.00000
O3 O 0.91355 0.77556 0.03543 1.00000
O4 O 0.72444 0.41355 0.03543 1.00000
O5 O 0.27556 0.58645 0.03543 1.00000
O6 O 0.08645 0.22444 0.03543 1.00000
O7 O 0.58645 0.72444 0.96457 1.00000
O8 O 0.77556 0.08645 0.96457 1.00000
O9 O 0.22444 0.91355 0.96457 1.00000
O10 O 0.41355 0.27556 0.96457 1.00000
O11 O 0.28699 0.10492 0.50196 1.00000
O12 O 0.39508 0.78699 0.50196 1.00000
O13 O 0.60492 0.21301 0.50196 1.00000
O14 O 0.71301 0.89508 0.50196 1.00000
O15 O 0.78699 0.60492 0.49804 1.00000
O16 O 0.10492 0.71301 0.49804 1.00000
O17 O 0.89508 0.28699 0.49804 1.00000
O18 O 0.21301 0.39508 0.49804 1.00000
