Al(Cu3Ni4)2
Alexandria ALEXAlex-ID: agm072928474 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_68_spg148
AlNi3 Ni Cu
2024-10-05 06:14:33.091858
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072928474).
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 agm072928474
data_agm072928474
_cell_length_a 5.64838
_cell_length_b 5.63288
_cell_length_c 6.17360
_cell_angle_alpha 111.40550
_cell_angle_beta 111.24874
_cell_angle_gamma 84.23167
_cell_volume 170.32742
_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
Al1 Al 0.50000 0.50000 0.00000 1.00000
Cu1 Cu 0.23571 0.56792 0.59630 1.00000
Cu2 Cu 0.97149 0.63419 0.19961 1.00000
Cu3 Cu 0.89818 0.90093 0.60040 1.00000
Cu4 Cu 0.76429 0.43208 0.40370 1.00000
Cu5 Cu 0.02851 0.36581 0.80039 1.00000
Cu6 Cu 0.10182 0.09907 0.39960 1.00000
Ni1 Ni 0.30060 0.29457 0.19642 1.00000
Ni2 Ni 0.69940 0.70543 0.80358 1.00000
Ni3 Ni 0.62830 0.96669 0.19686 1.00000
Ni4 Ni 0.16815 0.83492 0.99827 1.00000
Ni5 Ni 0.43574 0.76809 0.39957 1.00000
Ni6 Ni 0.37170 0.03331 0.80314 1.00000
Ni7 Ni 0.83185 0.16508 0.00173 1.00000
Ni8 Ni 0.56426 0.23191 0.60043 1.00000
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