Mg3Cd2Cu
Alexandria ALEXAlex-ID: agm005709833 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2157_spg65
Mg2Cu MgCd MgCu2
2023-08-22 14:58:38.380707
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709833).
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 agm005709833
data_agm005709833
_cell_length_a 4.56416
_cell_length_b 7.32321
_cell_length_c 7.41828
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00005
_cell_angle_gamma 71.84295
_cell_volume 235.60441
_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 0.82506 0.34996 0.78607 1.00000
Mg2 Mg 0.49997 1.00000 0.23903 1.00000
Mg3 Mg 0.17494 0.65004 0.21393 1.00000
Mg4 Mg 0.82498 0.34996 0.21393 1.00000
Mg5 Mg 0.17502 0.65004 0.78607 1.00000
Mg6 Mg 0.50003 0.00000 0.76097 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Cd2 Cd 0.00000 0.00000 0.50000 1.00000
Cd3 Cd 0.33099 0.33802 0.50000 1.00000
Cd4 Cd 0.66901 0.66198 0.50000 1.00000
Cu1 Cu 0.34408 0.31184 1.00000 1.00000
Cu2 Cu 0.65592 0.68816 0.00000 1.00000
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