ZnBi2O5
Alexandria ALEXAlex-ID: agm005287936 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_774_spg1
BiO2 ZnO
2023-05-07 12:10:01.539536
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287936).
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
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# CIF generated by HEAS from Alexandria entry agm005287936
data_agm005287936
_cell_length_a 3.95620
_cell_length_b 5.44858
_cell_length_c 12.27337
_cell_angle_alpha 115.09554
_cell_angle_beta 98.73112
_cell_angle_gamma 82.28483
_cell_volume 236.08789
_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
Zn1 Zn 0.12470 0.86164 0.73357 1.00000
Zn2 Zn 0.12467 0.86164 0.23356 1.00000
Bi1 Bi 0.95677 0.55278 0.87388 1.00000
Bi2 Bi 0.62629 0.29890 0.06133 1.00000
Bi3 Bi 0.95676 0.55281 0.37388 1.00000
Bi4 Bi 0.62629 0.29888 0.56132 1.00000
O1 O 0.01237 0.19828 0.21187 1.00000
O2 O 0.61618 0.67245 0.73366 1.00000
O3 O 0.09169 0.94467 0.91812 1.00000
O4 O 0.05340 0.54111 0.05731 1.00000
O5 O 0.05340 0.54111 0.55731 1.00000
O6 O 0.50432 0.42874 0.40286 1.00000
O7 O 0.01237 0.19825 0.71187 1.00000
O8 O 0.09170 0.94470 0.41812 1.00000
O9 O 0.61619 0.67248 0.23365 1.00000
O10 O 0.50430 0.42871 0.90286 1.00000
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