Li4Ga3Pd2
Alexandria ALEXAlex-ID: agm005654645 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_139_spg2
Li2GaPd Li2Ga2Pd
2023-06-27 09:32:24.823206
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654645).
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 agm005654645
data_agm005654645
_cell_length_a 4.21504
_cell_length_b 5.11571
_cell_length_c 6.96640
_cell_angle_alpha 81.72938
_cell_angle_beta 72.39061
_cell_angle_gamma 65.67135
_cell_volume 130.43045
_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 0.66269 0.55770 0.11692 1.00000
Li2 Li 0.00105 0.33832 0.65959 1.00000
Li3 Li 0.99895 0.66168 0.34041 1.00000
Li4 Li 0.33731 0.44230 0.88308 1.00000
Ga1 Ga 0.32888 0.78384 0.55840 1.00000
Ga2 Ga 0.00000 0.00000 0.00000 1.00000
Ga3 Ga 0.67112 0.21616 0.44160 1.00000
Pd1 Pd 0.33819 0.10122 0.22239 1.00000
Pd2 Pd 0.66181 0.89878 0.77761 1.00000
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