YV2O2
Alexandria ALEXAlex-ID: agm005280169 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1035_spg141
YVO3 Y2O3 V
2023-05-08 08:44:36.064596
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005280169).
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 agm005280169
data_agm005280169
_cell_length_a 7.80307
_cell_length_b 7.80307
_cell_length_c 7.80307
_cell_angle_alpha 109.98149
_cell_angle_beta 109.98149
_cell_angle_gamma 108.45544
_cell_volume 365.65539
_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 0.12500 0.87500 0.25000 1.00000
Y2 Y 0.62500 0.87500 0.75000 1.00000
Y3 Y 0.12500 0.37500 0.25000 1.00000
Y4 Y 0.12500 0.87500 0.75000 1.00000
V1 V 0.06364 0.24256 0.82108 1.00000
V2 V 0.42148 0.24256 0.17892 1.00000
V3 V 0.49256 0.17148 0.67892 1.00000
V4 V 0.82852 0.50744 0.32108 1.00000
V5 V 0.18636 0.50744 0.67892 1.00000
V6 V 0.49256 0.81364 0.32108 1.00000
V7 V 0.75744 0.57852 0.82108 1.00000
V8 V 0.75744 0.93636 0.17892 1.00000
O1 O 0.74245 0.09183 0.65063 1.00000
O2 O 0.44120 0.09183 0.34937 1.00000
O3 O 0.34183 0.19120 0.84937 1.00000
O4 O 0.80880 0.65817 0.15063 1.00000
O5 O 0.50755 0.65817 0.84937 1.00000
O6 O 0.34183 0.49245 0.15063 1.00000
O7 O 0.90817 0.55880 0.65063 1.00000
O8 O 0.90817 0.25755 0.34937 1.00000
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