Zr(AlNi2)2
Alexandria ALEXAlex-ID: agm005516632 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_591_spg164
Al3Ni5 Zr6Al7Ni16 AlNi
2023-07-14 03:41:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005516632).
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 agm005516632
data_agm005516632
_cell_length_a 3.95409
_cell_length_b 3.95401
_cell_length_c 15.46605
_cell_angle_alpha 90.00047
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00066
_cell_volume 209.40720
_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 0.66667 0.33333 0.80772 1.00000
Ni2 Ni 0.33333 0.66667 0.19228 1.00000
Ni3 Ni 0.66666 0.33333 0.45620 1.00000
Ni4 Ni 0.33334 0.66667 0.54380 1.00000
Ni5 Ni 0.66667 0.33333 0.28271 1.00000
Ni6 Ni 0.33333 0.66667 0.71729 1.00000
Ni7 Ni 0.66667 0.33333 0.96357 1.00000
Ni8 Ni 0.33333 0.66667 0.03643 1.00000
Al1 Al 0.00000 0.00000 0.23560 1.00000
Al2 Al 1.00000 1.00000 0.76440 1.00000
Al3 Al 0.66667 0.33334 0.11861 1.00000
Al4 Al 0.33333 0.66666 0.88139 1.00000
Zr1 Zr 0.66667 0.33334 0.62673 1.00000
Zr2 Zr 0.33333 0.66666 0.37327 1.00000
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