Nd3Dy5Ir
Alexandria ALEXAlex-ID: agm072393920 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1333_spg1
Nd3Dy5 Dy3Ir Nd
2024-09-25 22:01:22.691407
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072393920).
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 agm072393920
data_agm072393920
_cell_length_a 6.38188
_cell_length_b 6.38140
_cell_length_c 8.38023
_cell_angle_alpha 104.70807
_cell_angle_beta 104.68491
_cell_angle_gamma 109.42370
_cell_volume 289.16462
_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
Nd1 Nd 0.19624 0.56452 0.00699 1.00000
Nd2 Nd 0.42868 0.83070 0.51429 1.00000
Nd3 Nd 0.92066 0.32270 0.49942 1.00000
Dy1 Dy 0.66124 0.09929 0.00677 1.00000
Dy2 Dy 0.04907 0.95156 0.74345 1.00000
Dy3 Dy 0.80377 0.70501 0.27368 1.00000
Dy4 Dy 0.31228 0.21481 0.27031 1.00000
Dy5 Dy 0.53688 0.43852 0.74006 1.00000
Ir1 Ir 0.91827 0.83034 0.00680 1.00000
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