ZnCu5Ni6
Alexandria ALEXAlex-ID: agm006089776 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
Ni Cu ZnNi
2023-09-18 06:57:52.453091
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089776).
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 agm006089776
data_agm006089776
_cell_length_a 3.59797
_cell_length_b 7.11019
_cell_length_c 6.68075
_cell_angle_alpha 122.14825
_cell_angle_beta 105.60862
_cell_angle_gamma 89.99755
_cell_volume 137.20373
_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
Ni1 Ni 0.83290 0.58258 0.66571 1.00000
Ni2 Ni 0.83286 0.08291 0.66565 1.00000
Ni3 Ni 0.50005 0.74948 0.00006 1.00000
Ni4 Ni 0.49995 0.25052 0.99994 1.00000
Ni5 Ni 0.16714 0.91709 0.33435 1.00000
Ni6 Ni 0.16710 0.41742 0.33429 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.66864 0.16918 0.33803 1.00000
Cu2 Cu 0.33388 0.33382 0.66780 1.00000
Cu3 Cu 0.00000 0.50000 0.00000 1.00000
Cu4 Cu 0.66612 0.66618 0.33220 1.00000
Cu5 Cu 0.33136 0.83082 0.66197 1.00000
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