Cs3(KPb2)2
Alexandria ALEXAlex-ID: agm003333308 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_528_spg2
KPb K CsPb
2022-01-29 17:04:49.658191
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003333308).
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 agm003333308
data_agm003333308
_cell_length_a 6.65425
_cell_length_b 8.04197
_cell_length_c 12.10114
_cell_angle_alpha 61.75580
_cell_angle_beta 66.10810
_cell_angle_gamma 62.14316
_cell_volume 490.10430
_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 0.62199 0.13340 0.58432 1.00000
Cs2 Cs 0.00000 0.00000 0.00000 1.00000
Cs3 Cs 0.37801 0.86660 0.41568 1.00000
K1 K 0.74231 0.49542 0.18635 1.00000
K2 K 0.25769 0.50458 0.81365 1.00000
Pb1 Pb 0.37054 0.36477 0.12107 1.00000
Pb2 Pb 0.89889 0.50525 0.63509 1.00000
Pb3 Pb 0.10111 0.49475 0.36491 1.00000
Pb4 Pb 0.62946 0.63523 0.87893 1.00000
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