Li2Ga6Pd
Alexandria ALEXAlex-ID: agm005752871 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_735_spg191
LiGa2Pd Li(Ga2Pd)2 Li2Ga7
2023-07-12 20:32:36.705402
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752871).
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 agm005752871
data_agm005752871
_cell_length_a 2.93757
_cell_length_b 7.70034
_cell_length_c 7.70034
_cell_angle_alpha 60.13952
_cell_angle_beta 90.00909
_cell_angle_gamma 90.00908
_cell_volume 151.05931
_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 0.00005 0.33330 0.33330 1.00000
Li2 Li 0.99995 0.66670 0.66670 1.00000
Ga1 Ga 0.49850 0.67110 0.99985 1.00000
Ga2 Ga 0.50150 0.00015 0.32890 1.00000
Ga3 Ga 0.50150 0.32890 0.00015 1.00000
Ga4 Ga 0.50000 0.67068 0.32932 1.00000
Ga5 Ga 0.49850 0.99985 0.67110 1.00000
Ga6 Ga 0.50000 0.32932 0.67068 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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