Li8MgPb6
Alexandria ALEXAlex-ID: agm003698147 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_63_spg148
Li2Pb Li6MgPb5
2022-04-13 12:13:25.044661
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003698147).
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 agm003698147
data_agm003698147
_cell_length_a 8.31517
_cell_length_b 8.31517
_cell_length_c 7.44398
_cell_angle_alpha 56.04670
_cell_angle_beta 56.04670
_cell_angle_gamma 60.00000
_cell_volume 340.65424
_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 0.59288 0.15543 0.32789 1.00000
Li2 Li 0.84457 0.07620 0.67211 1.00000
Li3 Li 0.07620 0.40712 0.67211 1.00000
Li4 Li 0.73095 0.73095 0.80714 1.00000
Li5 Li 0.26905 0.26905 0.19286 1.00000
Li6 Li 0.92380 0.59288 0.32789 1.00000
Li7 Li 0.15543 0.92380 0.32789 1.00000
Li8 Li 0.40712 0.84457 0.67211 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.40652 0.13732 0.80307 1.00000
Pb2 Pb 0.86268 0.34691 0.19693 1.00000
Pb3 Pb 0.34691 0.59348 0.19693 1.00000
Pb4 Pb 0.65309 0.40652 0.80307 1.00000
Pb5 Pb 0.13732 0.65309 0.80307 1.00000
Pb6 Pb 0.59348 0.86268 0.19693 1.00000
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