K5B2O5
Alexandria ALEXAlex-ID: agm003373386 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_38_spg12
K3BO3 KBO2 K
2022-02-08 16:59:36.463659
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003373386).
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 agm003373386
data_agm003373386
_cell_length_a 3.07482
_cell_length_b 9.42613
_cell_length_c 9.02146
_cell_angle_alpha 88.47335
_cell_angle_beta 90.00000
_cell_angle_gamma 99.38693
_cell_volume 257.87944
_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
K1 K 0.50000 0.00000 0.50000 1.00000
K2 K 0.59544 0.19089 0.14540 1.00000
K3 K 0.83068 0.66136 0.29573 1.00000
K4 K 0.16932 0.33864 0.70427 1.00000
K5 K 0.40456 0.80911 0.85460 1.00000
B1 B 0.03858 0.07716 0.85980 1.00000
B2 B 0.96142 0.92284 0.14020 1.00000
O1 O 0.99651 0.99301 0.27099 1.00000
O2 O 0.59256 0.18513 0.86365 1.00000
O3 O 0.40744 0.81487 0.13635 1.00000
O4 O 0.00349 0.00699 0.72901 1.00000
O5 O 0.00000 0.00000 0.00000 1.00000
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