Zn3Ga2Cu7
Alexandria ALEXAlex-ID: agm005604495 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_107_spg65
Zn8Cu5 Ga4Cu9 Cu
2023-06-14 11:10:27.708068
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604495).
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 agm005604495
data_agm005604495
_cell_length_a 4.23618
_cell_length_b 4.26600
_cell_length_c 9.76974
_cell_angle_alpha 101.21424
_cell_angle_beta 89.99748
_cell_angle_gamma 90.01046
_cell_volume 173.18319
_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
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
Zn2 Zn 1.00000 0.12554 0.29202 1.00000
Zn3 Zn 0.00000 0.87446 0.70798 1.00000
Ga1 Ga 0.49999 0.65460 0.30491 1.00000
Ga2 Ga 0.50001 0.34540 0.69509 1.00000
Cu1 Cu 0.50001 0.21844 0.43458 1.00000
Cu2 Cu 0.50000 0.78156 0.56542 1.00000
Cu3 Cu 0.99999 0.56133 0.14448 1.00000
Cu4 Cu 0.00000 0.00000 0.00000 1.00000
Cu5 Cu 0.00001 0.43867 0.85552 1.00000
Cu6 Cu 0.50000 0.92285 0.85126 1.00000
Cu7 Cu 0.50000 0.07715 0.14874 1.00000
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