Li3(GaCu)4
Alexandria ALEXAlex-ID: agm005703463 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_105_spg12
LiGaCu2 Li13(Ga7Cu2)3 Cu
2023-06-29 20:36:27.601797
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703463).
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 agm005703463
data_agm005703463
_cell_length_a 2.68170
_cell_length_b 4.22394
_cell_length_c 13.49579
_cell_angle_alpha 81.11634
_cell_angle_beta 84.30060
_cell_angle_gamma 90.15172
_cell_volume 150.26580
_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 0.14473 0.64621 0.70620 1.00000
Li2 Li 0.85524 0.35376 0.29380 1.00000
Li3 Li 0.99999 0.99999 0.00000 1.00000
Ga1 Ga 0.55505 0.55262 0.89465 1.00000
Ga2 Ga 0.44492 0.44735 0.10535 1.00000
Ga3 Ga 0.31942 0.82089 0.35981 1.00000
Ga4 Ga 0.68055 0.17908 0.64019 1.00000
Cu1 Cu 0.10113 0.09272 0.81364 1.00000
Cu2 Cu 0.26562 0.26566 0.46973 1.00000
Cu3 Cu 0.73435 0.73432 0.53027 1.00000
Cu4 Cu 0.89885 0.90726 0.18636 1.00000
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