K6BrO2
Alexandria ALEXAlex-ID: agm003483151 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_999_spg12
K4O K3BrO K2O
2022-03-10 11:06:03.451229
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003483151).
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 agm003483151
data_agm003483151
_cell_length_a 5.20979
_cell_length_b 8.21059
_cell_length_c 9.84035
_cell_angle_alpha 102.55122
_cell_angle_beta 90.00000
_cell_angle_gamma 108.49734
_cell_volume 388.55800
_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 0.91128 0.82256 0.78862 1.00000
K2 K 0.73696 0.47391 0.09051 1.00000
K3 K 0.26304 0.52609 0.90949 1.00000
K4 K 0.63435 0.26870 0.64096 1.00000
K5 K 0.36565 0.73130 0.35904 1.00000
K6 K 0.08872 0.17744 0.21138 1.00000
Br1 Br 0.00000 0.00000 0.50000 1.00000
O1 O 0.76411 0.52822 0.83347 1.00000
O2 O 0.23589 0.47178 0.16653 1.00000
Get direct link