InBiO2
Alexandria ALEXAlex-ID: agm003123774 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_1403_spg15
In2O3 Bi2O3 Bi
2015-10-19 14:57:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003123774).
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 agm003123774
data_agm003123774
_cell_length_a 7.67073
_cell_length_b 5.08783
_cell_length_c 5.08783
_cell_angle_alpha 94.86271
_cell_angle_beta 119.62948
_cell_angle_gamma 60.37052
_cell_volume 146.64414
_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 0.75000 0.80623 0.30623 1.00000
Bi2 Bi 0.25000 0.19377 0.69377 1.00000
O1 O 0.12584 0.13118 0.00460 1.00000
O2 O 0.37416 0.50460 0.63118 1.00000
O3 O 0.87416 0.86882 0.99540 1.00000
O4 O 0.62584 0.49540 0.36882 1.00000
In1 In 0.75000 0.34501 0.84501 1.00000
In2 In 0.25000 0.65499 0.15499 1.00000
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