Mg(Zn2Cu)2
Alexandria ALEXAlex-ID: agm005486222 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_467_spg139
Zn35Cu17 Mg2Zn3Cu MgZnCu
2023-03-17 23:45:34.518774
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005486222).
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 agm005486222
data_agm005486222
_cell_length_a 6.02471
_cell_length_b 6.02471
_cell_length_c 6.02471
_cell_angle_alpha 99.34698
_cell_angle_beta 99.34698
_cell_angle_gamma 132.46766
_cell_volume 147.63174
_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 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.50000 0.73044 0.23044 1.00000
Zn2 Zn 0.50000 0.26956 0.76956 1.00000
Zn3 Zn 0.73044 0.50000 0.23044 1.00000
Zn4 Zn 0.26956 0.50000 0.76956 1.00000
Cu1 Cu 0.25000 0.75000 0.50000 1.00000
Cu2 Cu 0.75000 0.25000 0.50000 1.00000
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