GaCu3Pd5
Alexandria ALEXAlex-ID: agm003563795 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_189_spg12
GaCuPd4 Ga(CuPd3)2 GaCu4Pd5
2022-03-24 21:07:01.514361
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003563795).
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 agm003563795
data_agm003563795
_cell_length_a 5.58916
_cell_length_b 5.58916
_cell_length_c 9.55962
_cell_angle_alpha 86.29427
_cell_angle_beta 86.29427
_cell_angle_gamma 82.15947
_cell_volume 294.74950
_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
Ga1 Ga 0.03109 0.03109 0.74531 1.00000
Ga2 Ga 0.96891 0.96891 0.25469 1.00000
Cu1 Cu 0.74601 0.74601 0.88460 1.00000
Cu2 Cu 0.71442 0.71442 0.45864 1.00000
Cu3 Cu 0.00000 0.00000 0.00000 1.00000
Cu4 Cu 0.00000 0.00000 0.50000 1.00000
Cu5 Cu 0.25399 0.25399 0.11540 1.00000
Cu6 Cu 0.28558 0.28558 0.54136 1.00000
Pd1 Pd 0.97950 0.38656 0.33109 1.00000
Pd2 Pd 0.32150 0.67850 0.00000 1.00000
Pd3 Pd 0.72668 0.72668 0.14790 1.00000
Pd4 Pd 0.45854 0.45854 0.30877 1.00000
Pd5 Pd 0.54146 0.54146 0.69123 1.00000
Pd6 Pd 0.27332 0.27332 0.85210 1.00000
Pd7 Pd 0.38656 0.97950 0.33109 1.00000
Pd8 Pd 0.67850 0.32150 0.00000 1.00000
Pd9 Pd 0.02050 0.61344 0.66891 1.00000
Pd10 Pd 0.61344 0.02050 0.66891 1.00000
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