Li6MgPb2
Alexandria ALEXAlex-ID: agm005693538 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_925_spg164
Li8Pb3 Li7Pb2 Mg
2023-07-08 12:57:05.148283
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693538).
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 agm005693538
data_agm005693538
_cell_length_a 4.77928
_cell_length_b 4.77921
_cell_length_c 8.66252
_cell_angle_alpha 89.99781
_cell_angle_beta 90.00003
_cell_angle_gamma 120.00044
_cell_volume 171.35292
_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
Li1 Li 0.66667 0.33335 0.93073 1.00000
Li2 Li 0.33333 0.66665 0.06927 1.00000
Li3 Li 0.99997 0.99995 0.17188 1.00000
Li4 Li 0.33332 0.66665 0.39060 1.00000
Li5 Li 0.00003 0.00005 0.82812 1.00000
Li6 Li 0.66668 0.33335 0.60940 1.00000
Mg1 Mg 0.00000 0.00000 0.50000 1.00000
Pb1 Pb 0.33333 0.66666 0.73418 1.00000
Pb2 Pb 0.66667 0.33334 0.26582 1.00000
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