Y6Cd3Cu2Ir
Alexandria ALEXAlex-ID: agm044609239 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Y4CdIr Y2CdCu2 Y5Ir3 YCd
2024-09-26 03:06:38.845182
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044609239).
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 agm044609239
data_agm044609239
_cell_length_a 7.93702
_cell_length_b 7.93702
_cell_length_c 9.06389
_cell_angle_alpha 58.29793
_cell_angle_beta 58.29793
_cell_angle_gamma 36.62871
_cell_volume 283.71628
_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 0.57226 0.57226 0.28174 1.00000
Y2 Y 0.76328 0.76328 0.72262 1.00000
Y3 Y 0.42774 0.42774 0.71826 1.00000
Y4 Y 0.91214 0.91214 0.27743 1.00000
Y5 Y 0.23672 0.23672 0.27738 1.00000
Y6 Y 0.08786 0.08786 0.72257 1.00000
Cd1 Cd 0.82995 0.82995 0.00885 1.00000
Cd2 Cd 0.17005 0.17005 0.99115 1.00000
Cd3 Cd 0.50000 0.50000 0.00000 1.00000
Cu1 Cu 0.67717 0.67717 0.49787 1.00000
Cu2 Cu 0.32283 0.32283 0.50213 1.00000
Ir1 Ir 0.00000 0.00000 0.50000 1.00000
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