K6H2Br
Alexandria ALEXAlex-ID: agm097124680 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6284_spg1
KH K KBr
2025-04-07 00:12:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097124680).
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 agm097124680
data_agm097124680
_cell_length_a 4.33270
_cell_length_b 6.67423
_cell_length_c 14.07065
_cell_angle_alpha 90.52322
_cell_angle_beta 80.73690
_cell_angle_gamma 90.17455
_cell_volume 401.56401
_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 0.92626 0.49037 0.97090 1.00000
K2 K 0.66092 0.90734 0.46939 1.00000
K3 K 0.74112 0.45800 0.32451 1.00000
K4 K 0.08311 0.46868 0.62168 1.00000
K5 K 0.30989 0.99621 0.18883 1.00000
K6 K 0.50934 0.98458 0.79809 1.00000
H1 H 0.75391 0.05874 0.29573 1.00000
H2 H 0.18097 0.63403 0.43417 1.00000
Br1 Br 0.33448 0.50204 0.14670 1.00000
Get direct link