Cs5AlPb6
Alexandria ALEXAlex-ID: agm006136246 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
Cs4Pb9 Al CsPb
2023-09-16 05:05:13.815998
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136246).
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 agm006136246
data_agm006136246
_cell_length_a 10.57853
_cell_length_b 8.47101
_cell_length_c 8.33137
_cell_angle_alpha 59.44328
_cell_angle_beta 83.10927
_cell_angle_gamma 76.35053
_cell_volume 624.74318
_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 0.50000 0.19831 0.60338 1.00000
Cs2 Cs 0.00000 0.66361 0.67277 1.00000
Cs3 Cs 1.00000 0.33639 0.32723 1.00000
Cs4 Cs 0.50000 0.50000 0.00000 1.00000
Cs5 Cs 0.50000 0.80169 0.39662 1.00000
Pb1 Pb 0.77314 0.86179 1.00000 1.00000
Pb2 Pb 0.78423 0.06945 0.21882 1.00000
Pb3 Pb 0.21577 0.71173 0.21882 1.00000
Pb4 Pb 0.21577 0.93055 0.78118 1.00000
Pb5 Pb 0.78423 0.28827 0.78118 1.00000
Pb6 Pb 0.22686 0.13821 0.00000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Get direct link