Cs2Bi(AsO3)2
Alexandria ALEXAlex-ID: agm004571981 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_26_spg166
Cs4As2O7 Cs3As5O9 Bi2O3 Bi
2022-06-24 10:14:26.160334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004571981).
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 agm004571981
data_agm004571981
_cell_length_a 6.22651
_cell_length_b 6.25891
_cell_length_c 7.83535
_cell_angle_alpha 114.99136
_cell_angle_beta 90.00000
_cell_angle_gamma 119.82886
_cell_volume 231.36215
_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
Cs1 Cs 0.71844 0.43688 0.19099 1.00000
Cs2 Cs 0.28156 0.56312 0.80901 1.00000
Bi1 Bi 0.50000 0.00000 0.50000 1.00000
As1 As 0.93725 0.87449 0.78160 1.00000
As2 As 0.06275 0.12551 0.21840 1.00000
O1 O 0.75054 0.50108 0.66342 1.00000
O2 O 0.23400 0.00184 0.28418 1.00000
O3 O 0.23216 0.99816 0.71582 1.00000
O4 O 0.76600 0.99816 0.71582 1.00000
O5 O 0.76784 0.00184 0.28418 1.00000
O6 O 0.24946 0.49892 0.33658 1.00000
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