Dy2Zn3Ir
Alexandria ALEXAlex-ID: agm020078693 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1816_spg12
DyZnIr DyZn2
2025-04-14 14:55:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020078693).
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 agm020078693
data_agm020078693
_cell_length_a 8.79776
_cell_length_b 8.35285
_cell_length_c 5.67980
_cell_angle_alpha 74.95528
_cell_angle_beta 66.47497
_cell_angle_gamma 38.56975
_cell_volume 237.59042
_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 0.25000 0.25000 0.25000 1.00000
Dy2 Dy 0.25745 0.74255 0.74255 1.00000
Dy3 Dy 0.75000 0.75000 0.75000 1.00000
Dy4 Dy 0.74255 0.25745 0.25745 1.00000
Zn1 Zn 0.16406 0.66961 0.33039 1.00000
Zn2 Zn 0.33039 0.83594 0.16406 1.00000
Zn3 Zn 0.83594 0.33039 0.66961 1.00000
Zn4 Zn 0.66961 0.16406 0.83594 1.00000
Zn5 Zn 0.83259 0.83259 0.16741 1.00000
Zn6 Zn 0.16741 0.16741 0.83259 1.00000
Ir1 Ir 0.33772 0.33772 0.66228 1.00000
Ir2 Ir 0.66228 0.66228 0.33772 1.00000
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