Cs4B2O5
Alexandria ALEXAlex-ID: agm005656780 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_677_spg8
Cs3BO3 CsBO2
2023-06-21 11:18:49.072213
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656780).
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 agm005656780
data_agm005656780
_cell_length_a 6.12589
_cell_length_b 6.12589
_cell_length_c 7.83873
_cell_angle_alpha 77.02685
_cell_angle_beta 77.02686
_cell_angle_gamma 62.94813
_cell_volume 252.73973
_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 0.12503 0.12503 0.66176 1.00000
Cs2 Cs 0.88787 0.88787 0.41253 1.00000
Cs3 Cs 0.32264 0.32264 0.15303 1.00000
Cs4 Cs 0.70423 0.70423 0.93833 1.00000
B1 B 0.42176 0.42176 0.69730 1.00000
B2 B 0.57092 0.57092 0.37382 1.00000
O1 O 0.21782 0.59927 0.78019 1.00000
O2 O 0.81574 0.43620 0.31363 1.00000
O3 O 0.43620 0.81574 0.31363 1.00000
O4 O 0.59928 0.21782 0.78019 1.00000
O5 O 0.44157 0.44157 0.50435 1.00000
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