ZnCu2Ir3
Alexandria ALEXAlex-ID: agm019297909 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_103_spg139
Ir Cu ZnIr
2025-04-13 18:29:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019297909).
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 agm019297909
data_agm019297909
_cell_length_a 7.11228
_cell_length_b 7.11228
_cell_length_c 4.56285
_cell_angle_alpha 71.78039
_cell_angle_beta 108.21961
_cell_angle_gamma 157.82294
_cell_volume 82.58330
_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 0.50000 0.50000 0.00000 1.00000
Cu1 Cu 0.83147 0.16853 0.66330 1.00000
Cu2 Cu 0.16853 0.83147 0.33670 1.00000
Ir1 Ir 0.66671 0.33329 0.83385 1.00000
Ir2 Ir 0.00000 0.00000 0.50000 1.00000
Ir3 Ir 0.33329 0.66671 0.16615 1.00000
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