Mg3(CuNi)4
Alexandria ALEXAlex-ID: agm009928754 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
Mg2Cu3Ni Cu MgNi2
2024-07-03 01:07:08.344503
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009928754).
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 agm009928754
data_agm009928754
_cell_length_a 13.34653
_cell_length_b 13.34653
_cell_length_c 13.34653
_cell_angle_alpha 168.43805
_cell_angle_beta 162.13121
_cell_angle_gamma 21.33482
_cell_volume 146.18951
_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 0.13981 0.63981 0.50000 1.00000
Mg2 Mg 0.86019 0.36019 0.50000 1.00000
Mg3 Mg 0.50000 0.50000 0.00000 1.00000
Cu1 Cu 0.59245 0.09245 0.50000 1.00000
Cu2 Cu 0.76413 0.76413 0.00000 1.00000
Cu3 Cu 0.23587 0.23587 0.00000 1.00000
Cu4 Cu 0.40755 0.90755 0.50000 1.00000
Ni1 Ni 0.04536 0.04536 0.00000 1.00000
Ni2 Ni 0.95464 0.95464 0.00000 1.00000
Ni3 Ni 0.31600 0.81600 0.50000 1.00000
Ni4 Ni 0.68400 0.18400 0.50000 1.00000
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