Dy3Sn3Ir2
Alexandria ALEXAlex-ID: agm005575673 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_199_spg62
DySn DySnIr
2023-06-06 09:08:47.992687
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005575673).
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 agm005575673
data_agm005575673
_cell_length_a 5.81282
_cell_length_b 8.41950
_cell_length_c 15.29964
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 748.78050
_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 0.10921 0.46918 0.38719 1.00000
Dy2 Dy 0.60921 0.03082 0.61281 1.00000
Dy3 Dy 0.89079 0.53082 0.88719 1.00000
Dy4 Dy 0.39079 0.96918 0.11281 1.00000
Dy5 Dy 0.89079 0.53082 0.61281 1.00000
Dy6 Dy 0.39079 0.96918 0.38719 1.00000
Dy7 Dy 0.10921 0.46918 0.11281 1.00000
Dy8 Dy 0.60921 0.03082 0.88719 1.00000
Dy9 Dy 0.64058 0.33059 0.25000 1.00000
Dy10 Dy 0.14058 0.16941 0.75000 1.00000
Dy11 Dy 0.35942 0.66941 0.75000 1.00000
Dy12 Dy 0.85942 0.83059 0.25000 1.00000
Sn1 Sn 0.13162 0.18166 0.25000 1.00000
Sn2 Sn 0.63162 0.31834 0.75000 1.00000
Sn3 Sn 0.86838 0.81834 0.75000 1.00000
Sn4 Sn 0.36838 0.68166 0.25000 1.00000
Sn5 Sn 0.61112 0.30944 0.46626 1.00000
Sn6 Sn 0.11112 0.19056 0.53374 1.00000
Sn7 Sn 0.38888 0.69056 0.96626 1.00000
Sn8 Sn 0.88888 0.80944 0.03374 1.00000
Sn9 Sn 0.38888 0.69056 0.53374 1.00000
Sn10 Sn 0.88888 0.80944 0.46626 1.00000
Sn11 Sn 0.61112 0.30944 0.03374 1.00000
Sn12 Sn 0.11112 0.19056 0.96626 1.00000
Ir1 Ir 0.86827 0.08759 0.38782 1.00000
Ir2 Ir 0.36827 0.41241 0.61218 1.00000
Ir3 Ir 0.13173 0.91241 0.88782 1.00000
Ir4 Ir 0.63173 0.58759 0.11218 1.00000
Ir5 Ir 0.13173 0.91241 0.61218 1.00000
Ir6 Ir 0.63173 0.58759 0.38782 1.00000
Ir7 Ir 0.86827 0.08759 0.11218 1.00000
Ir8 Ir 0.36827 0.41241 0.88782 1.00000
