Ba2LiPb6
Alexandria ALEXAlex-ID: agm005666479 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_545_spg225
BaLi2Pb3 BaPb3
2023-07-08 13:12:27.009306
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666479).
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
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# CIF generated by HEAS from Alexandria entry agm005666479
data_agm005666479
_cell_length_a 7.45943
_cell_length_b 7.45943
_cell_length_c 7.45832
_cell_angle_alpha 59.98317
_cell_angle_beta 59.98317
_cell_angle_gamma 59.98346
_cell_volume 293.34058
_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 0.24994 0.24994 0.24974 1.00000
Ba2 Ba 0.75006 0.75006 0.75026 1.00000
Li1 Li 0.50000 0.50000 0.50000 1.00000
Pb1 Pb 0.22313 0.22313 0.77643 1.00000
Pb2 Pb 0.22321 0.77673 0.22318 1.00000
Pb3 Pb 0.77679 0.22327 0.77682 1.00000
Pb4 Pb 0.77673 0.22321 0.22318 1.00000
Pb5 Pb 0.22327 0.77679 0.77682 1.00000
Pb6 Pb 0.77687 0.77687 0.22357 1.00000
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