BiH(SeO3)2
Alexandria ALEXAlex-ID: agm005283835 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2117_spg9
Bi2(SeO3)3 H2O SeO2
2023-05-08 05:31:56.152364
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005283835).
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 agm005283835
data_agm005283835
_cell_length_a 4.59959
_cell_length_b 4.59959
_cell_length_c 17.63149
_cell_angle_alpha 96.50624
_cell_angle_beta 96.50624
_cell_angle_gamma 102.11489
_cell_volume 358.73329
_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 0.41933 0.07178 0.91291 1.00000
Bi2 Bi 0.07178 0.41933 0.41291 1.00000
H1 H 0.88106 0.91444 0.14323 1.00000
H2 H 0.91444 0.88106 0.64323 1.00000
Se1 Se 0.00005 0.62257 0.03842 1.00000
Se2 Se 0.62257 0.00005 0.53842 1.00000
Se3 Se 0.95251 0.40861 0.80329 1.00000
Se4 Se 0.40861 0.95251 0.30329 1.00000
O1 O 0.07968 0.96173 0.00482 1.00000
O2 O 0.96173 0.07968 0.50482 1.00000
O3 O 0.62222 0.50529 0.00612 1.00000
O4 O 0.50529 0.62222 0.50612 1.00000
O5 O 0.98961 0.75231 0.13948 1.00000
O6 O 0.75231 0.98961 0.63948 1.00000
O7 O 0.05530 0.79378 0.81200 1.00000
O8 O 0.79378 0.05530 0.31200 1.00000
O9 O 0.09850 0.36152 0.89883 1.00000
O10 O 0.36152 0.09850 0.39883 1.00000
O11 O 0.58084 0.34907 0.81709 1.00000
O12 O 0.34907 0.58084 0.31709 1.00000
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