YMg9Cu2
Alexandria ALEXAlex-ID: agm005509130 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_42_spg166
YMg4Cu Mg2Cu Mg
2023-04-16 16:04:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005509130).
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 agm005509130
data_agm005509130
_cell_length_a 10.84799
_cell_length_b 10.86325
_cell_length_c 10.86325
_cell_angle_alpha 30.75746
_cell_angle_beta 30.79577
_cell_angle_gamma 30.79577
_cell_volume 297.36206
_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 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.33385 0.33316 0.33316 1.00000
Mg2 Mg 0.66615 0.66684 0.66684 1.00000
Mg3 Mg 0.50000 0.50000 0.50000 1.00000
Mg4 Mg 0.08387 0.58370 0.58370 1.00000
Mg5 Mg 0.58588 0.08227 0.58399 1.00000
Mg6 Mg 0.58588 0.58399 0.08227 1.00000
Mg7 Mg 0.91613 0.41630 0.41630 1.00000
Mg8 Mg 0.41412 0.41601 0.91773 1.00000
Mg9 Mg 0.41412 0.91773 0.41601 1.00000
Cu1 Cu 0.09449 0.09218 0.09218 1.00000
Cu2 Cu 0.90551 0.90782 0.90782 1.00000
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