Mg3Cu5Ir
Alexandria ALEXAlex-ID: agm072445786 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1259_spg1
MgCu2 Mg2Cu3Ir
2024-09-24 14:35:26.163512
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072445786).
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 agm072445786
data_agm072445786
_cell_length_a 4.76652
_cell_length_b 4.76627
_cell_length_c 6.92154
_cell_angle_alpha 73.70062
_cell_angle_beta 73.77132
_cell_angle_gamma 64.63878
_cell_volume 134.06243
_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 0.40214 0.29198 0.92953 1.00000
Mg2 Mg 0.68742 0.57667 0.08001 1.00000
Mg3 Mg 0.06178 0.94962 0.51133 1.00000
Cu1 Cu 0.55659 0.44437 0.50304 1.00000
Cu2 Cu 0.12082 0.51249 0.30970 1.00000
Cu3 Cu 0.99508 0.39915 0.68700 1.00000
Cu4 Cu 0.50981 0.88538 0.68725 1.00000
Cu5 Cu 0.62426 0.00947 0.30982 1.00000
Ir1 Ir 0.04195 0.93123 0.98212 1.00000
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