Nd3Al3Zn
Alexandria ALEXAlex-ID: agm045548596 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_76_spg44
NdAl NdAl2 NdZn
2025-06-07 12:08:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045548596).
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
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# CIF generated by HEAS from Alexandria entry agm045548596
data_agm045548596
_cell_length_a 10.52571
_cell_length_b 10.52571
_cell_length_c 10.52571
_cell_angle_alpha 159.23579
_cell_angle_beta 155.02169
_cell_angle_gamma 32.69955
_cell_volume 174.43584
_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 0.69127 0.19127 0.50000 1.00000
Nd2 Nd 0.30770 0.80770 0.50000 1.00000
Nd3 Nd 0.00001 0.00001 0.00000 1.00000
Al1 Al 0.86465 0.36465 0.50000 1.00000
Al2 Al 0.13428 0.63428 0.50000 1.00000
Al3 Al 0.43643 0.43643 0.00000 1.00000
Zn1 Zn 0.56558 0.56558 0.00000 1.00000
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