CsRbPb
Alexandria ALEXAlex-ID: agm005659110 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1019_spg164
Rb CsPb
2023-06-18 08:07:35.206334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659110).
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 agm005659110
data_agm005659110
_cell_length_a 5.08097
_cell_length_b 5.07929
_cell_length_c 18.73530
_cell_angle_alpha 89.98347
_cell_angle_beta 89.98006
_cell_angle_gamma 59.97180
_cell_volume 418.61759
_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 0.29567 0.64542 0.44835 1.00000
Cs2 Cs 0.29609 0.64502 0.13308 1.00000
Rb1 Rb 0.62756 0.97910 0.68368 1.00000
Rb2 Rb 0.96104 0.31168 0.89834 1.00000
Pb1 Pb 0.62935 0.97859 0.32135 1.00000
Pb2 Pb 0.96276 0.31186 0.25989 1.00000
Get direct link