DyZrIr
Alexandria ALEXAlex-ID: agm005677627 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7266_spg189
DyZr3Ir2 Dy5Ir3 Dy7Ir3
2023-06-18 15:16:12.403867
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677627).
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 agm005677627
data_agm005677627
_cell_length_a 7.08235
_cell_length_b 8.45626
_cell_length_c 8.45626
_cell_angle_alpha 66.26199
_cell_angle_beta 65.24344
_cell_angle_gamma 65.24344
_cell_volume 401.47275
_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
Dy1 Dy 0.16878 0.04226 0.54225 1.00000
Dy2 Dy 0.75329 0.95775 0.45774 1.00000
Dy3 Dy 0.33804 0.74999 0.24999 1.00000
Dy4 Dy 0.33802 0.25001 0.75001 1.00000
Dy5 Dy 0.75343 0.45777 0.95777 1.00000
Dy6 Dy 0.16897 0.54223 0.04223 1.00000
Zr1 Zr 0.00841 0.00000 0.00000 1.00000
Zr2 Zr 0.00841 0.50000 0.50000 1.00000
Zr3 Zr 0.75385 0.37211 0.37214 1.00000
Zr4 Zr 0.49810 0.62789 0.62786 1.00000
Zr5 Zr 0.49810 0.12786 0.12789 1.00000
Zr6 Zr 0.75385 0.87214 0.87211 1.00000
Ir1 Ir 0.75208 0.25005 0.75005 1.00000
Ir2 Ir 0.75218 0.74995 0.24995 1.00000
Ir3 Ir 0.08722 0.16628 0.16632 1.00000
Ir4 Ir 0.41982 0.83372 0.83368 1.00000
Ir5 Ir 0.41982 0.33368 0.33372 1.00000
Ir6 Ir 0.08722 0.66632 0.66628 1.00000
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