Bi2IO7
Alexandria ALEXAlex-ID: agm005843372 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_300_spg15
BiIO4 BiO4 BiO2
2023-07-26 14:40:50.113592
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005843372).
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 agm005843372
data_agm005843372
_cell_length_a 6.14828
_cell_length_b 7.78287
_cell_length_c 7.27201
_cell_angle_alpha 79.89367
_cell_angle_beta 64.99272
_cell_angle_gamma 66.73474
_cell_volume 289.69564
_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 0.67396 0.95772 0.67114 1.00000
Bi2 Bi 0.69719 0.45772 0.17114 1.00000
Bi3 Bi 0.30281 0.54228 0.82886 1.00000
Bi4 Bi 0.32604 0.04228 0.32886 1.00000
I1 I 0.96083 0.25000 0.75000 1.00000
I2 I 0.03917 0.75000 0.25000 1.00000
O1 O 0.72287 0.50937 0.84676 1.00000
O2 O 0.92100 0.00936 0.34676 1.00000
O3 O 0.21830 0.83353 0.98341 1.00000
O4 O 0.34945 0.18722 0.57319 1.00000
O5 O 0.63324 0.25000 0.75000 1.00000
O6 O 0.96476 0.33353 0.48341 1.00000
O7 O 0.10985 0.31278 0.92681 1.00000
O8 O 0.89015 0.68722 0.07319 1.00000
O9 O 0.03524 0.66647 0.51659 1.00000
O10 O 0.36676 0.75000 0.25000 1.00000
O11 O 0.65055 0.81278 0.42681 1.00000
O12 O 0.78170 0.16647 0.01659 1.00000
O13 O 0.07900 0.99064 0.65324 1.00000
O14 O 0.27713 0.49064 0.15324 1.00000
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