SmSb5Pb3
Alexandria ALEXAlex-ID: agm072409804 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1075_spg2
Sm2Sb5 Pb Sb
2024-09-24 22:32:46.326286
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072409804).
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 agm072409804
data_agm072409804
_cell_length_a 6.52647
_cell_length_b 5.01062
_cell_length_c 9.36313
_cell_angle_alpha 100.69732
_cell_angle_beta 93.39830
_cell_angle_gamma 104.63481
_cell_volume 289.28665
_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
Sm1 Sm 0.06015 0.08590 0.08548 1.00000
Sb1 Sb 0.97575 0.29301 0.43440 1.00000
Sb2 Sb 0.28949 0.73577 0.77237 1.00000
Sb3 Sb 0.54016 0.02946 0.05412 1.00000
Sb4 Sb 0.87508 0.44232 0.88587 1.00000
Sb5 Sb 0.26734 0.71833 0.28100 1.00000
Pb1 Pb 0.71614 0.63704 0.25675 1.00000
Pb2 Pb 0.85483 0.86047 0.65896 1.00000
Pb3 Pb 0.42109 0.19769 0.57107 1.00000
Get direct link