Dy3In3Ir2
Alexandria ALEXAlex-ID: agm003332073 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_118_spg71
DyInIr Dy5(In2Ir)2 DyIn3
2022-01-22 19:30:43.602724
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003332073).
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 agm003332073
data_agm003332073
_cell_length_a 4.66472
_cell_length_b 5.20962
_cell_length_c 8.40112
_cell_angle_alpha 101.32079
_cell_angle_beta 106.11852
_cell_angle_gamma 90.00000
_cell_volume 191.99552
_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 0.16982 0.59169 0.33964 1.00000
Dy2 Dy 0.83018 0.40831 0.66036 1.00000
Dy3 Dy 0.00000 0.00000 0.00000 1.00000
In1 In 0.63126 0.08038 0.26251 1.00000
In2 In 0.50000 0.50000 0.00000 1.00000
In3 In 0.36874 0.91962 0.73749 1.00000
Ir1 Ir 0.21679 0.12092 0.43357 1.00000
Ir2 Ir 0.78321 0.87908 0.56643 1.00000
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