Li2Ca(MgPb)2
Alexandria ALEXAlex-ID: agm017279676 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_16_spg166
CaMgPb Li2MgPb
2025-04-18 11:59:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017279676).
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 agm017279676
data_agm017279676
_cell_length_a 8.73119
_cell_length_b 8.73119
_cell_length_c 8.73119
_cell_angle_alpha 32.62007
_cell_angle_beta 32.62007
_cell_angle_gamma 32.62007
_cell_volume 172.02307
_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 0.14079 0.14079 0.14079 1.00000
Li2 Li 0.85921 0.85921 0.85921 1.00000
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.56689 0.56689 0.56689 1.00000
Mg2 Mg 0.43311 0.43311 0.43311 1.00000
Pb1 Pb 0.73880 0.73880 0.73880 1.00000
Pb2 Pb 0.26120 0.26120 0.26120 1.00000
Get direct link