VBiO2
Alexandria ALEXAlex-ID: agm005258283 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_6870_spg141
Bi2O3 V2O3 Bi
2023-05-07 09:03:45.273436
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005258283).
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 agm005258283
data_agm005258283
_cell_length_a 7.66441
_cell_length_b 7.66441
_cell_length_c 7.66441
_cell_angle_alpha 130.83161
_cell_angle_beta 130.83161
_cell_angle_gamma 72.08075
_cell_volume 252.04666
_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 0.87500 0.62500 0.75000 1.00000
V2 V 0.87500 0.12500 0.25000 1.00000
V3 V 0.37500 0.12500 0.25000 1.00000
V4 V 0.87500 0.12500 0.75000 1.00000
Bi1 Bi 0.37500 0.12500 0.75000 1.00000
Bi2 Bi 0.37500 0.62500 0.25000 1.00000
Bi3 Bi 0.87500 0.62500 0.25000 1.00000
Bi4 Bi 0.37500 0.62500 0.75000 1.00000
O1 O 0.71429 0.42764 0.28666 1.00000
O2 O 0.14098 0.42764 0.71334 1.00000
O3 O 0.17764 0.39098 0.21334 1.00000
O4 O 0.03571 0.82236 0.21334 1.00000
O5 O 0.17764 0.96429 0.78666 1.00000
O6 O 0.60902 0.82236 0.78666 1.00000
O7 O 0.57236 0.85902 0.28666 1.00000
O8 O 0.57236 0.28571 0.71334 1.00000
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