VHO3
Alexandria ALEXAlex-ID: agm005877471 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7975_spg2
V2O5 H2O
2023-07-04 05:25:00.573567
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877471).
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 agm005877471
data_agm005877471
_cell_length_a 2.92568
_cell_length_b 8.65412
_cell_length_c 7.37247
_cell_angle_alpha 42.91558
_cell_angle_beta 65.06604
_cell_angle_gamma 68.74280
_cell_volume 114.81829
_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 0.95866 0.29730 0.00842 1.00000
V2 V 0.04134 0.70270 0.99158 1.00000
H1 H 0.12609 0.21285 0.40478 1.00000
H2 H 0.87391 0.78715 0.59522 1.00000
O1 O 0.21266 0.33782 0.19864 1.00000
O2 O 0.78734 0.66218 0.80136 1.00000
O3 O 0.98710 0.01942 0.26191 1.00000
O4 O 0.01290 0.98058 0.73809 1.00000
O5 O 0.60988 0.35644 0.80608 1.00000
O6 O 0.39012 0.64356 0.19392 1.00000
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