Cs2K(GaBi)2
Alexandria ALEXAlex-ID: agm017884424 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_14_spg12
Cs2KGaBi2 CsGaBi K3Ga13
2025-06-22 17:51:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017884424).
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 agm017884424
data_agm017884424
_cell_length_a 7.82873
_cell_length_b 7.82873
_cell_length_c 9.65656
_cell_angle_alpha 83.69446
_cell_angle_beta 96.30554
_cell_angle_gamma 145.77375
_cell_volume 330.68285
_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
Cs1 Cs 0.31879 0.68121 0.31069 1.00000
Cs2 Cs 0.68121 0.31879 0.68931 1.00000
K1 K 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.96786 0.03214 0.61326 1.00000
Ga2 Ga 0.03214 0.96786 0.38674 1.00000
Bi1 Bi 0.59863 0.40137 0.27074 1.00000
Bi2 Bi 0.40137 0.59863 0.72926 1.00000
Get direct link