Ce3Ga3CuNi2
Alexandria ALEXAlex-ID: agm032166364 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_0_spg189
CeGaNi CeGaCu
2024-12-08 18:43:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032166364).
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 agm032166364
data_agm032166364
_cell_length_a 6.96328
_cell_length_b 6.96328
_cell_length_c 4.01681
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00388
_cell_volume 168.66441
_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
Ce1 Ce 0.57328 0.57328 0.50000 1.00000
Ce2 Ce 0.99995 0.42661 0.50000 1.00000
Ce3 Ce 0.42661 0.99995 0.50000 1.00000
Ga1 Ga 0.75955 0.00001 0.00000 1.00000
Ga2 Ga 0.00001 0.75955 0.00000 1.00000
Ga3 Ga 0.24033 0.24033 0.00000 1.00000
Cu1 Cu 0.99995 0.99995 0.50000 1.00000
Ni1 Ni 0.66665 0.33323 0.00000 1.00000
Ni2 Ni 0.33323 0.66665 0.00000 1.00000
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