Zr2Al5Ni
Alexandria ALEXAlex-ID: agm005491428 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_206_spg71
Zr6Al16Ni7 ZrAl3 ZrAl2
2023-03-18 08:01:14.918399
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005491428).
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
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# CIF generated by HEAS from Alexandria entry agm005491428
data_agm005491428
_cell_length_a 7.90770
_cell_length_b 7.90770
_cell_length_c 7.90770
_cell_angle_alpha 158.46275
_cell_angle_beta 128.78940
_cell_angle_gamma 56.17634
_cell_volume 140.90321
_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
Zr1 Zr 0.71249 0.21249 0.50000 1.00000
Zr2 Zr 0.28751 0.78751 0.50000 1.00000
Al1 Al 0.50000 0.00000 0.50000 1.00000
Al2 Al 0.31043 0.60420 0.70624 1.00000
Al3 Al 0.68957 0.39580 0.29376 1.00000
Al4 Al 0.89796 0.60420 0.29376 1.00000
Al5 Al 0.10204 0.39580 0.70624 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
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