K2InBr5
Alexandria ALEXAlex-ID: agm012800732 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_16_spg62
KInBr4 KBr
2025-03-30 17:15:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012800732).
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 agm012800732
data_agm012800732
_cell_length_a 7.76935
_cell_length_b 11.90912
_cell_length_c 13.56049
_cell_angle_alpha 90.00707
_cell_angle_beta 94.50172
_cell_angle_gamma 89.99958
_cell_volume 1250.82883
_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 0.32215 0.52579 0.65554 1.00000
K2 K 0.77204 0.51663 0.29887 1.00000
K3 K 0.17729 0.02593 0.84475 1.00000
K4 K 0.72798 0.01556 0.20133 1.00000
K5 K 0.69720 0.68624 0.90262 1.00000
K6 K 0.21824 0.37590 0.04335 1.00000
K7 K 0.80245 0.18638 0.59727 1.00000
K8 K 0.28215 0.87576 0.45667 1.00000
In1 In 0.82595 0.72851 0.57416 1.00000
In2 In 0.30234 0.25201 0.42989 1.00000
In3 In 0.67452 0.22835 0.92587 1.00000
In4 In 0.19737 0.75191 0.07002 1.00000
Br1 Br 0.57094 0.39821 0.48528 1.00000
Br2 Br 0.07518 0.63644 0.46893 1.00000
Br3 Br 0.92837 0.89776 0.01461 1.00000
Br4 Br 0.42492 0.13654 0.03107 1.00000
Br5 Br 0.99145 0.91416 0.62649 1.00000
Br6 Br 0.53085 0.09421 0.40890 1.00000
Br7 Br 0.50882 0.41400 0.87362 1.00000
Br8 Br 0.96921 0.59392 0.09122 1.00000
Br9 Br 0.03615 0.10955 0.38375 1.00000
Br10 Br 0.53112 0.77247 0.65885 1.00000
Br11 Br 0.46394 0.60980 0.11620 1.00000
Br12 Br 0.96876 0.27299 0.84087 1.00000
Br13 Br 0.66122 0.76473 0.39855 1.00000
Br14 Br 0.21561 0.26042 0.61174 1.00000
Br15 Br 0.83961 0.26379 0.10137 1.00000
Br16 Br 0.28409 0.76038 0.88819 1.00000
Br17 Br 0.89896 0.57551 0.70970 1.00000
Br18 Br 0.19470 0.39043 0.29244 1.00000
Br19 Br 0.60195 0.07510 0.79046 1.00000
Br20 Br 0.30448 0.89061 0.20744 1.00000
