BiIO4
Alexandria ALEXAlex-ID: agm005758258 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1240_spg15
BiIO4
2023-07-30 22:27:42.950597
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758258).
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 agm005758258
data_agm005758258
_cell_length_a 6.07925
_cell_length_b 5.66572
_cell_length_c 6.94703
_cell_angle_alpha 118.98108
_cell_angle_beta 114.23284
_cell_angle_gamma 77.30885
_cell_volume 190.80737
_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 0.35901 0.57928 0.24637 1.00000
Bi2 Bi 0.64099 0.42073 0.75364 1.00000
I1 I 0.86114 0.13510 0.28855 1.00000
I2 I 0.13886 0.86490 0.71145 1.00000
O1 O 0.28105 0.99693 0.58858 1.00000
O2 O 0.91001 0.77381 0.06278 1.00000
O3 O 0.26558 0.48160 0.47541 1.00000
O4 O 0.38107 0.76933 0.93498 1.00000
O5 O 0.71895 0.00308 0.41142 1.00000
O6 O 0.73443 0.51840 0.52459 1.00000
O7 O 0.08999 0.22619 0.93722 1.00000
O8 O 0.61893 0.23067 0.06502 1.00000
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