Li3AlCd2
Alexandria ALEXAlex-ID: agm005705343 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_452_spg2
Li3Al2Cd LiCd
2023-08-22 08:24:45.172140
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705343).
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 agm005705343
data_agm005705343
_cell_length_a 5.39924
_cell_length_b 5.39924
_cell_length_c 9.25672
_cell_angle_alpha 114.79590
_cell_angle_beta 114.79614
_cell_angle_gamma 64.02091
_cell_volume 210.83485
_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 0.32562 0.32563 0.16294 1.00000
Li2 Li 0.16268 0.16268 0.83706 1.00000
Li3 Li 0.67438 0.67437 0.83706 1.00000
Li4 Li 0.83732 0.83732 0.16294 1.00000
Li5 Li 0.16825 0.16825 0.33650 1.00000
Li6 Li 0.83175 0.83175 0.66350 1.00000
Al1 Al 0.65834 0.65834 0.31668 1.00000
Al2 Al 0.34166 0.34166 0.68332 1.00000
Cd1 Cd 0.75000 0.25000 0.50000 1.00000
Cd2 Cd 0.24783 0.75217 1.00000 1.00000
Cd3 Cd 0.25000 0.75000 0.50000 1.00000
Cd4 Cd 0.75217 0.24783 0.00000 1.00000
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