Rb2Pb2S3
Alexandria ALEXAlex-ID: agm010091672 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_0_spg12
Rb2PbS2 PbS
2024-05-28 00:02:44.347893
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010091672).
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 agm010091672
data_agm010091672
_cell_length_a 4.20533
_cell_length_b 8.01513
_cell_length_c 8.28816
_cell_angle_alpha 107.94500
_cell_angle_beta 89.97461
_cell_angle_gamma 105.21027
_cell_volume 255.47705
_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
Rb1 Rb 0.62012 0.24059 0.85752 1.00000
Rb2 Rb 0.37988 0.75941 0.14248 1.00000
Pb1 Pb 0.86268 0.72455 0.68488 1.00000
Pb2 Pb 0.13732 0.27545 0.31512 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
S2 S 0.73982 0.48024 0.26571 1.00000
S3 S 0.26018 0.51976 0.73429 1.00000
Get direct link