Nd2Al5Ir3
Alexandria ALEXAlex-ID: agm005620006 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_171_spg36
NdAlIr Nd(AlIr)2 Nd2(Al3Ir)3
2023-06-13 19:26:29.605763
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005620006).
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 agm005620006
data_agm005620006
_cell_length_a 4.31483
_cell_length_b 6.83568
_cell_length_c 12.89182
_cell_angle_alpha 90.00000
_cell_angle_beta 99.63363
_cell_angle_gamma 90.00000
_cell_volume 374.87944
_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 0.47864 0.77266 0.95728 1.00000
Nd2 Nd 0.17587 0.71850 0.35174 1.00000
Nd3 Nd 0.82413 0.21850 0.64826 1.00000
Nd4 Nd 0.52136 0.27266 0.04272 1.00000
Al1 Al 0.39995 0.40166 0.79989 1.00000
Al2 Al 0.28710 0.50874 0.57420 1.00000
Al3 Al 0.71290 0.00874 0.42580 1.00000
Al4 Al 0.12878 0.24479 0.25757 1.00000
Al5 Al 0.29304 0.90180 0.58607 1.00000
Al6 Al 0.94309 0.10419 0.88619 1.00000
Al7 Al 0.70696 0.40180 0.41393 1.00000
Al8 Al 0.87122 0.74479 0.74243 1.00000
Al9 Al 0.05691 0.60419 0.11381 1.00000
Al10 Al 0.60005 0.90166 0.20011 1.00000
Ir1 Ir 0.77234 0.70388 0.54468 1.00000
Ir2 Ir 0.60921 0.52243 0.21843 1.00000
Ir3 Ir 0.05104 0.98615 0.10207 1.00000
Ir4 Ir 0.22766 0.20388 0.45532 1.00000
Ir5 Ir 0.94896 0.48615 0.89793 1.00000
Ir6 Ir 0.39079 0.02243 0.78157 1.00000
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