V(WO4)2
Alexandria ALEXAlex-ID: agm005508546 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_159_spg2
WO3 VO2
2023-03-15 11:05:43.928563
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508546).
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 agm005508546
data_agm005508546
_cell_length_a 4.93735
_cell_length_b 5.25425
_cell_length_c 7.03489
_cell_angle_alpha 110.43660
_cell_angle_beta 90.39922
_cell_angle_gamma 104.49672
_cell_volume 164.67011
_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 0.50000 0.00000 0.00000 1.00000
W1 W 0.24591 0.52640 0.17256 1.00000
W2 W 0.75409 0.47360 0.82744 1.00000
O1 O 0.16153 0.72139 0.40639 1.00000
O2 O 0.37997 0.25248 0.22834 1.00000
O3 O 0.13082 0.71323 0.97210 1.00000
O4 O 0.40291 0.23362 0.85433 1.00000
O5 O 0.62003 0.74752 0.77166 1.00000
O6 O 0.83847 0.27861 0.59361 1.00000
O7 O 0.86918 0.28677 0.02790 1.00000
O8 O 0.59709 0.76638 0.14567 1.00000
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