Ba2Li2SmPb2
Alexandria ALEXAlex-ID: agm024398766 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_182_spg12
LiSmPb BaLi2Pb Ba2Pb Sm
2024-12-08 14:49:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024398766).
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 agm024398766
data_agm024398766
_cell_length_a 12.31762
_cell_length_b 12.31762
_cell_length_c 12.31762
_cell_angle_alpha 23.10526
_cell_angle_beta 23.10526
_cell_angle_gamma 23.10526
_cell_volume 252.61547
_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
Ba1 Ba 0.88677 0.88677 0.88677 1.00000
Ba2 Ba 0.11323 0.11323 0.11323 1.00000
Li1 Li 0.37421 0.37421 0.37421 1.00000
Li2 Li 0.62579 0.62579 0.62579 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.28295 0.28295 0.28295 1.00000
Pb2 Pb 0.71705 0.71705 0.71705 1.00000
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