K4B2O5
Alexandria ALEXAlex-ID: agm005656788 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_670_spg8
K3BO3 KBO2
2023-06-24 05:37:08.193550
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656788).
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 agm005656788
data_agm005656788
_cell_length_a 5.45523
_cell_length_b 5.45523
_cell_length_c 7.15570
_cell_angle_alpha 77.49097
_cell_angle_beta 77.49097
_cell_angle_gamma 68.06281
_cell_volume 190.66593
_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 0.93065 0.93065 0.10163 1.00000
K2 K 0.09085 0.09085 0.52351 1.00000
K3 K 0.31786 0.31786 0.09790 1.00000
K4 K 0.69839 0.69839 0.83042 1.00000
B1 B 0.43023 0.43023 0.66884 1.00000
B2 B 0.55899 0.55899 0.29499 1.00000
O1 O 0.23310 0.62968 0.75966 1.00000
O2 O 0.81018 0.41482 0.21348 1.00000
O3 O 0.41482 0.81018 0.21348 1.00000
O4 O 0.62968 0.23310 0.75966 1.00000
O5 O 0.42831 0.42831 0.46517 1.00000
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