Li3CuAg2
Alexandria ALEXAlex-ID: agm005667445 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1028_spg15
Li8Ag5 LiCu2 LiAg
2023-08-22 08:43:24.307296
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667445).
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 agm005667445
data_agm005667445
_cell_length_a 4.83224
_cell_length_b 4.83224
_cell_length_c 8.97761
_cell_angle_alpha 100.65276
_cell_angle_beta 100.65277
_cell_angle_gamma 109.76896
_cell_volume 186.81301
_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 0.20120 0.45095 0.40137 1.00000
Li2 Li 0.54905 0.79880 0.09863 1.00000
Li3 Li 0.79880 0.54905 0.59863 1.00000
Li4 Li 0.45095 0.20120 0.90137 1.00000
Li5 Li 0.62539 0.37461 0.25000 1.00000
Li6 Li 0.37461 0.62539 0.75000 1.00000
Cu1 Cu 0.12505 0.87495 0.25000 1.00000
Cu2 Cu 0.87495 0.12505 0.75000 1.00000
Ag1 Ag 0.04059 0.29162 0.08284 1.00000
Ag2 Ag 0.70838 0.95941 0.41716 1.00000
Ag3 Ag 0.95941 0.70838 0.91716 1.00000
Ag4 Ag 0.29162 0.04059 0.58284 1.00000
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