Cs3(Sb2Pb)2
Alexandria ALEXAlex-ID: agm005643232 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_373_spg12
CsSb2 CsSbPb
2023-06-30 21:15:33.210054
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643232).
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 agm005643232
data_agm005643232
_cell_length_a 4.59719
_cell_length_b 8.53412
_cell_length_c 11.41724
_cell_angle_alpha 68.67015
_cell_angle_beta 89.99413
_cell_angle_gamma 105.61315
_cell_volume 399.44896
_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 0.40395 0.80790 0.67844 1.00000
Cs2 Cs 0.00000 0.00000 0.00000 1.00000
Cs3 Cs 0.59605 0.19210 0.32156 1.00000
Sb1 Sb 0.71827 0.43669 0.95082 1.00000
Sb2 Sb 0.11009 0.22010 0.60392 1.00000
Sb3 Sb 0.88991 0.77990 0.39608 1.00000
Sb4 Sb 0.28173 0.56331 0.04918 1.00000
Pb1 Pb 0.28490 0.56991 0.35115 1.00000
Pb2 Pb 0.71510 0.43009 0.64885 1.00000
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