Li(GaAg)2
Alexandria ALEXAlex-ID: agm003388397 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1867_spg36
Li2Ga7 Ga4Ag3 LiGaAg2
2022-03-14 15:52:00.695818
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003388397).
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 agm003388397
data_agm003388397
_cell_length_a 4.34166
_cell_length_b 5.77226
_cell_length_c 7.13633
_cell_angle_alpha 90.00000
_cell_angle_beta 107.70968
_cell_angle_gamma 90.00000
_cell_volume 170.36930
_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 0.39606 0.07511 0.79211 1.00000
Li2 Li 0.60394 0.57511 0.20789 1.00000
Ga1 Ga 0.99067 0.80336 0.98133 1.00000
Ga2 Ga 0.81656 0.33504 0.63311 1.00000
Ga3 Ga 0.18344 0.83504 0.36689 1.00000
Ga4 Ga 0.00933 0.30336 0.01867 1.00000
Ag1 Ag 0.39711 0.57902 0.79421 1.00000
Ag2 Ag 0.79438 0.84183 0.58876 1.00000
Ag3 Ag 0.20562 0.34183 0.41124 1.00000
Ag4 Ag 0.60289 0.07902 0.20579 1.00000
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