Y(Zn3Ir2)2
Alexandria ALEXAlex-ID: agm003661525 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_23_spg121
Zn41Ir8 Zn2Ir YIr2
2022-04-08 14:18:29.568963
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661525).
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 agm003661525
data_agm003661525
_cell_length_a 6.62630
_cell_length_b 6.62630
_cell_length_c 6.62630
_cell_angle_alpha 89.29639
_cell_angle_beta 120.40705
_cell_angle_gamma 120.40705
_cell_volume 204.44771
_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
Y1 Y 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 1.00000 0.89091 0.52754 1.00000
Zn2 Zn 1.00000 0.52754 0.89091 1.00000
Zn3 Zn 0.63663 0.10909 0.10909 1.00000
Zn4 Zn 0.50000 0.00000 0.50000 1.00000
Zn5 Zn 0.36337 0.47246 0.47246 1.00000
Zn6 Zn 0.50000 0.50000 0.00000 1.00000
Ir1 Ir 0.00000 0.25358 0.60745 1.00000
Ir2 Ir 0.64613 0.39255 0.39255 1.00000
Ir3 Ir 0.00000 0.60745 0.25358 1.00000
Ir4 Ir 0.35387 0.74642 0.74642 1.00000
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