K2BI5
Alexandria ALEXAlex-ID: agm005995861 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_1563_spg14
KBI4 KI
2023-09-07 14:04:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995861).
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 agm005995861
data_agm005995861
_cell_length_a 10.38688
_cell_length_b 11.88919
_cell_length_c 13.50507
_cell_angle_alpha 90.00000
_cell_angle_beta 118.12643
_cell_angle_gamma 90.00001
_cell_volume 1470.81606
_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 0.68916 0.88102 0.99398 1.00000
K2 K 0.18916 0.61898 0.99398 1.00000
K3 K 0.55618 0.76893 0.39597 1.00000
K4 K 0.05618 0.73107 0.39597 1.00000
K5 K 0.94382 0.26893 0.60403 1.00000
K6 K 0.44382 0.23107 0.60403 1.00000
K7 K 0.81084 0.38102 0.00602 1.00000
K8 K 0.31084 0.11898 0.00602 1.00000
B1 B 0.54808 0.41206 0.29599 1.00000
B2 B 0.04808 0.08794 0.29599 1.00000
B3 B 0.95192 0.91206 0.70401 1.00000
B4 B 0.45192 0.58794 0.70401 1.00000
I1 I 0.02260 0.11276 0.12302 1.00000
I2 I 0.95619 0.65429 0.12355 1.00000
I3 I 0.52260 0.38724 0.12302 1.00000
I4 I 0.45619 0.84571 0.12355 1.00000
I5 I 0.85487 0.99182 0.28557 1.00000
I6 I 0.06143 0.25801 0.37541 1.00000
I7 I 0.35487 0.50818 0.28557 1.00000
I8 I 0.75897 0.50734 0.40446 1.00000
I9 I 0.56143 0.24199 0.37541 1.00000
I10 I 0.25897 0.99266 0.40446 1.00000
I11 I 0.74103 0.00734 0.59554 1.00000
I12 I 0.43857 0.75801 0.62459 1.00000
I13 I 0.24103 0.49266 0.59554 1.00000
I14 I 0.64513 0.49182 0.71443 1.00000
I15 I 0.93857 0.74199 0.62459 1.00000
I16 I 0.14513 0.00818 0.71443 1.00000
I17 I 0.54381 0.15429 0.87645 1.00000
I18 I 0.47740 0.61276 0.87698 1.00000
I19 I 0.04381 0.34571 0.87645 1.00000
I20 I 0.97740 0.88724 0.87698 1.00000
