NdCuSb2
Alexandria ALEXAlex-ID: agm014289640 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_173_spg42
NdCuSb2
2024-09-13 13:35:25.549171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014289640).
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 agm014289640
data_agm014289640
_cell_length_a 10.74161
_cell_length_b 10.74161
_cell_length_c 10.74161
_cell_angle_alpha 156.63191
_cell_angle_beta 156.63191
_cell_angle_gamma 33.28497
_cell_volume 194.80332
_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 0.12610 0.12610 0.00000 1.00000
Nd2 Nd 0.87390 0.87390 0.00000 1.00000
Cu1 Cu 0.25000 0.75000 0.50000 1.00000
Cu2 Cu 0.75000 0.25000 0.50000 1.00000
Sb1 Sb 0.00000 0.50000 0.50000 1.00000
Sb2 Sb 0.50000 0.00000 0.50000 1.00000
Sb3 Sb 0.32613 0.32613 0.00000 1.00000
Sb4 Sb 0.67387 0.67387 0.00000 1.00000
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