Zn3(Ni2Ir)2
Alexandria ALEXAlex-ID: agm005657140 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_899_spg2
NiIr ZnNi Ir
2023-06-27 18:19:32.128497
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657140).
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 agm005657140
data_agm005657140
_cell_length_a 3.68005
_cell_length_b 5.80898
_cell_length_c 6.95782
_cell_angle_alpha 114.44753
_cell_angle_beta 74.66545
_cell_angle_gamma 71.53332
_cell_volume 114.16346
_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
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Zn2 Zn 0.55148 0.56873 0.32830 1.00000
Zn3 Zn 0.44852 0.43127 0.67170 1.00000
Ni1 Ni 0.89073 0.88668 0.33185 1.00000
Ni2 Ni 0.10927 0.11332 0.66815 1.00000
Ni3 Ni 0.67081 0.66032 0.99805 1.00000
Ni4 Ni 0.32919 0.33968 0.00195 1.00000
Ir1 Ir 0.77027 0.78908 0.67036 1.00000
Ir2 Ir 0.22973 0.21092 0.32964 1.00000
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