Mg2Zr(GaCu)2
Alexandria ALEXAlex-ID: agm024502237 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_67_spg12
Zr2Ga3 Mg2Cu Mg2GaCu3
2025-05-19 11:26:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024502237).
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 agm024502237
data_agm024502237
_cell_length_a 8.12624
_cell_length_b 8.12624
_cell_length_c 8.12624
_cell_angle_alpha 30.52492
_cell_angle_beta 30.52492
_cell_angle_gamma 30.52492
_cell_volume 122.72020
_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
Mg1 Mg 0.86922 0.86922 0.86922 1.00000
Mg2 Mg 0.13078 0.13078 0.13078 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.39614 0.39614 0.39614 1.00000
Ga2 Ga 0.60386 0.60386 0.60386 1.00000
Cu1 Cu 0.26054 0.26054 0.26054 1.00000
Cu2 Cu 0.73946 0.73946 0.73946 1.00000
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