V2O5
Alexandria ALEXAlex-ID: agm005262134 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_67_spg62
V2O5
2023-05-12 04:28:28.272879
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005262134).
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}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005262134
data_agm005262134
_cell_length_a 5.92622
_cell_length_b 8.51721
_cell_length_c 10.07336
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 508.45161
_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 0.25000 0.84255 0.90002 1.00000
V2 V 0.75000 0.68948 0.78678 1.00000
V3 V 0.25000 0.18948 0.71322 1.00000
V4 V 0.75000 0.34255 0.59998 1.00000
V5 V 0.25000 0.65745 0.40002 1.00000
V6 V 0.75000 0.81052 0.28678 1.00000
V7 V 0.25000 0.31052 0.21322 1.00000
V8 V 0.75000 0.15745 0.09998 1.00000
O1 O 0.75000 0.07799 0.95364 1.00000
O2 O 0.25000 0.30989 0.83626 1.00000
O3 O 0.49886 0.72356 0.88282 1.00000
O4 O 0.00114 0.72356 0.88282 1.00000
O5 O 0.25000 0.98981 0.77356 1.00000
O6 O 0.75000 0.48981 0.72644 1.00000
O7 O 0.99886 0.22356 0.61718 1.00000
O8 O 0.50114 0.22356 0.61718 1.00000
O9 O 0.75000 0.80989 0.66374 1.00000
O10 O 0.25000 0.57799 0.54636 1.00000
O11 O 0.75000 0.42201 0.45364 1.00000
O12 O 0.25000 0.19011 0.33626 1.00000
O13 O 0.00114 0.77644 0.38282 1.00000
O14 O 0.49886 0.77644 0.38282 1.00000
O15 O 0.25000 0.51019 0.27356 1.00000
O16 O 0.75000 0.01019 0.22644 1.00000
O17 O 0.99886 0.27644 0.11718 1.00000
O18 O 0.50114 0.27644 0.11718 1.00000
O19 O 0.75000 0.69011 0.16374 1.00000
O20 O 0.25000 0.92201 0.04636 1.00000
