BiO2
Alexandria ALEXAlex-ID: agm005270604 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2517_spg72
BiO2
2023-05-05 07:25:53.581860
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005270604).
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 agm005270604
data_agm005270604
_cell_length_a 8.79209
_cell_length_b 8.79209
_cell_length_c 8.79209
_cell_angle_alpha 152.89802
_cell_angle_beta 131.01665
_cell_angle_gamma 56.87446
_cell_volume 232.20598
_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
Bi1 Bi 0.91055 0.61368 0.29688 1.00000
Bi2 Bi 0.68320 0.88632 0.79688 1.00000
Bi3 Bi 0.31680 0.11368 0.20312 1.00000
Bi4 Bi 0.08945 0.38632 0.70312 1.00000
O1 O 0.03990 0.75247 0.28742 1.00000
O2 O 0.00428 0.90816 0.09612 1.00000
O3 O 0.81204 0.40816 0.40388 1.00000
O4 O 0.53495 0.74753 0.78742 1.00000
O5 O 0.96010 0.24753 0.71258 1.00000
O6 O 0.99572 0.09184 0.90388 1.00000
O7 O 0.18796 0.59184 0.59612 1.00000
O8 O 0.46505 0.25247 0.21258 1.00000
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