Mg2Cu
Alexandria ALEXAlex-ID: agm002159665 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_36_spg12
Mg2Cu
2018-05-24 15:27:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002159665).
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 agm002159665
data_agm002159665
_cell_length_a 5.26740
_cell_length_b 5.26740
_cell_length_c 5.26740
_cell_angle_alpha 104.13824
_cell_angle_beta 104.13824
_cell_angle_gamma 120.76215
_cell_volume 109.17393
_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 0.16753 0.66753 0.83506 1.00000
Mg2 Mg 0.33247 0.16753 0.50000 1.00000
Mg3 Mg 0.83247 0.33247 0.16494 1.00000
Mg4 Mg 0.66753 0.83247 0.50000 1.00000
Cu1 Cu 0.25000 0.25000 0.00000 1.00000
Cu2 Cu 0.75000 0.75000 0.00000 1.00000
