In3(BiO4)2
Alexandria ALEXAlex-ID: agm005602284 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_9_spg12
Bi4O7 In2O3
2023-06-16 03:34:47.918325
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602284).
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 agm005602284
data_agm005602284
_cell_length_a 5.52127
_cell_length_b 6.58727
_cell_length_c 7.16720
_cell_angle_alpha 62.64240
_cell_angle_beta 61.80623
_cell_angle_gamma 90.00000
_cell_volume 196.04327
_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
In1 In 0.00000 0.00000 0.00000 1.00000
In2 In 0.50000 0.25910 1.00000 1.00000
In3 In 0.50000 0.74090 0.00000 1.00000
Bi1 Bi 0.27305 0.71857 0.56285 1.00000
Bi2 Bi 0.72695 0.28142 0.43715 1.00000
O1 O 0.20195 0.39829 0.20342 1.00000
O2 O 0.79805 0.60171 0.79658 1.00000
O3 O 0.21381 0.89284 0.21431 1.00000
O4 O 0.78619 0.10716 0.78569 1.00000
O5 O 0.33135 0.90030 0.75479 1.00000
O6 O 0.33135 0.34491 0.75479 1.00000
O7 O 0.66865 0.65509 0.24521 1.00000
O8 O 0.66865 0.09970 0.24521 1.00000
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