YV2O4
Alexandria ALEXAlex-ID: agm005221853 · Space group: I4_1/a (#88)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_64_spg88
YVO3 V2O3 V
2023-05-06 19:20:32.742896
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005221853).
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 agm005221853
data_agm005221853
_cell_length_a 6.49611
_cell_length_b 6.49611
_cell_length_c 6.49611
_cell_angle_alpha 126.70747
_cell_angle_beta 126.70747
_cell_angle_gamma 78.72844
_cell_volume 170.51404
_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
Y1 Y 0.75000 0.25000 0.50000 1.00000
Y2 Y 0.00000 0.00000 0.00000 1.00000
V1 V 0.87500 0.62500 0.25000 1.00000
V2 V 0.37500 0.62500 0.75000 1.00000
V3 V 0.37500 0.62500 0.25000 1.00000
V4 V 0.37500 0.12500 0.75000 1.00000
O1 O 0.34554 0.99922 0.95181 1.00000
O2 O 0.04741 0.39373 0.04819 1.00000
O3 O 0.40446 0.25078 0.54819 1.00000
O4 O 0.70259 0.85627 0.45181 1.00000
O5 O 0.74922 0.29741 0.15368 1.00000
O6 O 0.14373 0.59554 0.84632 1.00000
O7 O 0.60627 0.65446 0.65368 1.00000
O8 O 0.00078 0.95259 0.34632 1.00000
Get direct link