Nd3(Cu2Ir)2
Alexandria ALEXAlex-ID: agm005606387 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_272_spg12
NdCu5 Nd2CuIr NdIr2
2023-06-26 23:40:23.829053
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606387).
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 agm005606387
data_agm005606387
_cell_length_a 4.28441
_cell_length_b 5.77533
_cell_length_c 8.36964
_cell_angle_alpha 106.48214
_cell_angle_beta 90.00000
_cell_angle_gamma 111.77257
_cell_volume 183.12854
_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 0.67736 0.35472 0.65261 1.00000
Nd2 Nd 0.00000 0.00000 0.00000 1.00000
Nd3 Nd 0.32264 0.64528 0.34739 1.00000
Cu1 Cu 0.72389 0.44777 0.05453 1.00000
Cu2 Cu 0.27611 0.55223 0.94547 1.00000
Cu3 Cu 0.96040 0.92081 0.62055 1.00000
Cu4 Cu 0.03960 0.07919 0.37945 1.00000
Ir1 Ir 0.60678 0.21356 0.27233 1.00000
Ir2 Ir 0.39322 0.78644 0.72767 1.00000
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