V3(H3O5)2
Alexandria ALEXAlex-ID: agm006221024 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B6C10_9_spg7
V4O9 V2O5 H2O
2024-02-13 01:29:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006221024).
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 agm006221024
data_agm006221024
_cell_length_a 8.96966
_cell_length_b 6.24005
_cell_length_c 9.05294
_cell_angle_alpha 89.57049
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 506.68846
_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
H1 H 0.81284 0.32808 0.61908 1.00000
H2 H 0.18716 0.32808 0.11908 1.00000
H3 H 0.64344 0.29683 0.01156 1.00000
H4 H 0.35656 0.29683 0.51156 1.00000
H5 H 0.69057 0.05580 0.08414 1.00000
H6 H 0.75428 0.28654 0.15473 1.00000
H7 H 0.78709 0.33040 0.79741 1.00000
H8 H 0.96286 0.33012 0.72208 1.00000
H9 H 0.24572 0.28654 0.65473 1.00000
H10 H 0.30943 0.05580 0.58414 1.00000
H11 H 0.21291 0.33040 0.29741 1.00000
H12 H 0.03714 0.33012 0.22208 1.00000
O1 O 0.75804 0.45397 0.50095 1.00000
O2 O 0.24196 0.45397 0.00095 1.00000
O3 O 0.66805 0.79406 0.70284 1.00000
O4 O 0.83705 0.83086 0.32305 1.00000
O5 O 0.33195 0.79406 0.20284 1.00000
O6 O 0.16295 0.83086 0.82305 1.00000
O7 O 0.55394 0.77980 0.42261 1.00000
O8 O 0.94348 0.79855 0.59861 1.00000
O9 O 0.05652 0.79855 0.09861 1.00000
O10 O 0.44606 0.77980 0.92261 1.00000
O11 O 0.65146 0.43189 0.88558 1.00000
O12 O 0.88476 0.44432 0.17506 1.00000
O13 O 0.34854 0.43189 0.38558 1.00000
O14 O 0.11524 0.44432 0.67506 1.00000
O15 O 0.74465 0.81805 0.02152 1.00000
O16 O 0.25535 0.81805 0.52152 1.00000
O17 O 0.66248 0.20770 0.11156 1.00000
O18 O 0.85746 0.26558 0.72000 1.00000
O19 O 0.33752 0.20770 0.61156 1.00000
O20 O 0.14254 0.26558 0.22000 1.00000
V1 V 0.75135 0.72002 0.50847 1.00000
V2 V 0.24865 0.72002 0.00847 1.00000
V3 V 0.62364 0.70427 0.87744 1.00000
V4 V 0.88364 0.71694 0.15612 1.00000
V5 V 0.37636 0.70427 0.37744 1.00000
V6 V 0.11636 0.71694 0.65612 1.00000
