VHO3
Alexandria ALEXAlex-ID: agm005221752 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_9670_spg11
V2O5 H2O
2023-05-14 05:23:56.026928
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005221752).
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 agm005221752
data_agm005221752
_cell_length_a 9.04657
_cell_length_b 5.14063
_cell_length_c 8.67527
_cell_angle_alpha 68.97080
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 376.57358
_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 0.56072 0.49697 0.17106 1.00000
V2 V 0.06072 0.50303 0.82894 1.00000
V3 V 0.43928 0.50303 0.82894 1.00000
V4 V 0.93928 0.49697 0.17106 1.00000
V5 V 0.75000 0.07078 0.04872 1.00000
V6 V 0.25000 0.92922 0.95128 1.00000
H1 H 0.84078 0.90929 0.58383 1.00000
H2 H 0.75000 0.14428 0.41590 1.00000
H3 H 0.65922 0.90929 0.58383 1.00000
H4 H 0.34078 0.09071 0.41617 1.00000
H5 H 0.25000 0.85572 0.58410 1.00000
H6 H 0.15922 0.09071 0.41617 1.00000
O1 O 0.59481 0.34491 0.99526 1.00000
O2 O 0.09481 0.65509 0.00474 1.00000
O3 O 0.40519 0.65509 0.00474 1.00000
O4 O 0.90519 0.34491 0.99526 1.00000
O5 O 0.60944 0.81463 0.19009 1.00000
O6 O 0.10944 0.18537 0.80991 1.00000
O7 O 0.39056 0.18537 0.80991 1.00000
O8 O 0.89056 0.81463 0.19009 1.00000
O9 O 0.75000 0.32690 0.23973 1.00000
O10 O 0.25000 0.67310 0.76027 1.00000
O11 O 0.75000 0.97813 0.88994 1.00000
O12 O 0.25000 0.02187 0.11006 1.00000
O13 O 0.46242 0.31128 0.33198 1.00000
O14 O 0.96242 0.68872 0.66802 1.00000
O15 O 0.53758 0.68872 0.66802 1.00000
O16 O 0.03758 0.31128 0.33198 1.00000
O17 O 0.75000 0.03221 0.54326 1.00000
O18 O 0.25000 0.96779 0.45674 1.00000
