Mg(ZrCu3)2
Alexandria ALEXAlex-ID: agm005793028 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_735_spg191
MgZrCu2 Zr14Cu51 MgCu2
2023-07-12 21:29:51.998952
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005793028).
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 agm005793028
data_agm005793028
_cell_length_a 2.85379
_cell_length_b 7.48073
_cell_length_c 7.48072
_cell_angle_alpha 59.99437
_cell_angle_beta 89.99213
_cell_angle_gamma 89.99212
_cell_volume 138.29776
_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
Zr1 Zr 0.00000 0.33334 0.33334 1.00000
Zr2 Zr 1.00000 0.66666 0.66666 1.00000
Cu1 Cu 0.49981 0.67040 0.00001 1.00000
Cu2 Cu 0.50019 0.99999 0.32960 1.00000
Cu3 Cu 0.50019 0.32960 0.99999 1.00000
Cu4 Cu 0.50000 0.67041 0.32959 1.00000
Cu5 Cu 0.49981 0.00001 0.67040 1.00000
Cu6 Cu 0.50000 0.32959 0.67041 1.00000
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