Ba3Li3Pb8
Alexandria ALEXAlex-ID: agm003376735 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_24_spg71
Ba3Li2Pb7 BaLi2Pb3 BaPb3
2022-02-09 00:03:01.350362
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003376735).
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 agm003376735
data_agm003376735
_cell_length_a 5.02296
_cell_length_b 9.90224
_cell_length_c 9.90224
_cell_angle_alpha 74.40071
_cell_angle_beta 75.30772
_cell_angle_gamma 75.30772
_cell_volume 449.69014
_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 0.50000 0.50000 0.50000 1.00000
Ba2 Ba 0.79542 0.20458 0.20458 1.00000
Ba3 Ba 0.20458 0.79542 0.79542 1.00000
Li1 Li 0.50000 0.00000 0.00000 1.00000
Li2 Li 0.00000 0.80386 0.19614 1.00000
Li3 Li 0.00000 0.19614 0.80386 1.00000
Pb1 Pb 0.62271 0.07306 0.68152 1.00000
Pb2 Pb 0.37729 0.92694 0.31848 1.00000
Pb3 Pb 0.62271 0.68152 0.07306 1.00000
Pb4 Pb 0.37729 0.31848 0.92694 1.00000
Pb5 Pb 0.84941 0.79398 0.50721 1.00000
Pb6 Pb 0.15059 0.20602 0.49279 1.00000
Pb7 Pb 0.84941 0.50721 0.79398 1.00000
Pb8 Pb 0.15059 0.49279 0.20602 1.00000
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