ZrGa2Cu
Alexandria ALEXAlex-ID: agm013286375 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_173_spg42
Zr2Ga3Cu Zr2Ga5Cu Cu
2025-06-30 23:10:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013286375).
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 agm013286375
data_agm013286375
_cell_length_a 4.09609
_cell_length_b 4.09609
_cell_length_c 8.42348
_cell_angle_alpha 75.84031
_cell_angle_beta 104.15969
_cell_angle_gamma 89.94753
_cell_volume 132.59350
_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
Zr1 Zr 0.12329 0.87671 0.74558 1.00000
Zr2 Zr 0.87671 0.12329 0.25442 1.00000
Ga1 Ga 0.00000 0.50000 0.50000 1.00000
Ga2 Ga 0.50000 0.00000 0.50000 1.00000
Ga3 Ga 0.35061 0.64939 0.20067 1.00000
Ga4 Ga 0.64939 0.35061 0.79933 1.00000
Cu1 Cu 0.25034 0.25034 0.00000 1.00000
Cu2 Cu 0.74966 0.74966 0.00000 1.00000
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