YMg2Cu
Alexandria ALEXAlex-ID: agm005497947 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_52_spg139
Y2MgCu2 Y5Mg13Cu5
2023-03-19 01:16:11.242139
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005497947).
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
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# CIF generated by HEAS from Alexandria entry agm005497947
data_agm005497947
_cell_length_a 7.93449
_cell_length_b 7.93449
_cell_length_c 7.93449
_cell_angle_alpha 143.34913
_cell_angle_beta 143.34913
_cell_angle_gamma 52.80169
_cell_volume 176.92339
_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
Y1 Y 0.25000 0.75000 0.50000 1.00000
Y2 Y 0.75000 0.25000 0.50000 1.00000
Mg1 Mg 0.00000 0.50000 0.50000 1.00000
Mg2 Mg 0.50000 0.00000 0.50000 1.00000
Mg3 Mg 0.38889 0.38889 0.00000 1.00000
Mg4 Mg 0.61111 0.61111 0.00000 1.00000
Cu1 Cu 0.13474 0.13474 0.00000 1.00000
Cu2 Cu 0.86526 0.86526 0.00000 1.00000
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