Cs2K5Bi2
Alexandria ALEXAlex-ID: agm005567775 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_710_spg12
Cs2KBi K3Bi Cs
2023-06-06 17:44:32.332195
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005567775).
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 agm005567775
data_agm005567775
_cell_length_a 6.14767
_cell_length_b 10.02491
_cell_length_c 10.62580
_cell_angle_alpha 118.61798
_cell_angle_beta 106.81496
_cell_angle_gamma 89.99994
_cell_volume 542.75245
_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 0.65269 0.38295 0.30538 1.00000
Cs2 Cs 0.34731 0.61705 0.69462 1.00000
K1 K 0.64431 0.93539 0.28863 1.00000
K2 K 0.35569 0.06461 0.71137 1.00000
K3 K 0.83298 0.26145 0.66597 1.00000
K4 K 0.16702 0.73855 0.33403 1.00000
K5 K 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.79747 0.83072 0.59494 1.00000
Bi2 Bi 0.20253 0.16928 0.40506 1.00000
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