Ga2CuNi6
Alexandria ALEXAlex-ID: agm005668286 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_657_spg71
GaNi3 Cu
2023-07-08 22:09:35.500019
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668286).
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 agm005668286
data_agm005668286
_cell_length_a 2.58449
_cell_length_b 6.78731
_cell_length_c 8.10295
_cell_angle_alpha 114.75995
_cell_angle_beta 118.79459
_cell_angle_gamma 90.00003
_cell_volume 109.41840
_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 0.99450 0.33154 0.66308 1.00000
Ga2 Ga 0.00550 0.66846 0.33692 1.00000
Cu1 Cu 1.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.49586 0.35831 0.33059 1.00000
Ni2 Ni 0.50414 0.64169 0.66941 1.00000
Ni3 Ni 0.50414 0.02772 0.66941 1.00000
Ni4 Ni 0.50000 0.68904 0.00000 1.00000
Ni5 Ni 0.50000 0.31096 1.00000 1.00000
Ni6 Ni 0.49586 0.97228 0.33059 1.00000
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