Cu2(SbPb)5
Alexandria ALEXAlex-ID: agm005666149 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_19_spg12
Cu Sb Pb
2023-06-19 00:10:47.627516
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666149).
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 agm005666149
data_agm005666149
_cell_length_a 4.53369
_cell_length_b 7.13718
_cell_length_c 12.12901
_cell_angle_alpha 87.55091
_cell_angle_beta 79.22842
_cell_angle_gamma 71.48153
_cell_volume 365.53065
_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
Cu1 Cu 0.38945 0.46335 0.75774 1.00000
Cu2 Cu 0.61055 0.53665 0.24226 1.00000
Sb1 Sb 0.70315 0.22731 0.36638 1.00000
Sb2 Sb 0.93128 0.31781 0.81964 1.00000
Sb3 Sb 0.06872 0.68219 0.18036 1.00000
Sb4 Sb 0.29685 0.77269 0.63362 1.00000
Sb5 Sb 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.00000 0.50000 0.50000 1.00000
Pb2 Pb 0.68185 0.78261 0.85370 1.00000
Pb3 Pb 0.36644 0.89673 0.37039 1.00000
Pb4 Pb 0.63356 0.10327 0.62961 1.00000
Pb5 Pb 0.31815 0.21739 0.14630 1.00000
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