SbPb2
Alexandria ALEXAlex-ID: agm010176548 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3423_spg2
Pb Sb
2024-03-18 04:48:11.543158
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010176548).
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 agm010176548
data_agm010176548
_cell_length_a 7.02787
_cell_length_b 7.02787
_cell_length_c 9.35416
_cell_angle_alpha 48.39793
_cell_angle_beta 48.39793
_cell_angle_gamma 36.10233
_cell_volume 194.85767
_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
Sb1 Sb 0.36551 0.36551 0.54942 1.00000
Sb2 Sb 0.63449 0.63449 0.45058 1.00000
Pb1 Pb 0.95458 0.95458 0.22767 1.00000
Pb2 Pb 0.72549 0.72549 0.88099 1.00000
Pb3 Pb 0.27451 0.27451 0.11901 1.00000
Pb4 Pb 0.04542 0.04542 0.77233 1.00000
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