Nd3Al8Pd3
Alexandria ALEXAlex-ID: agm005684636 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
NdAl3Pd Nd3Al7Pd2 NdAl3Pd2
2023-06-29 09:21:56.022262
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684636).
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 agm005684636
data_agm005684636
_cell_length_a 4.52946
_cell_length_b 8.31448
_cell_length_c 8.41031
_cell_angle_alpha 65.68678
_cell_angle_beta 74.37856
_cell_angle_gamma 74.19383
_cell_volume 273.23222
_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 0.28657 0.72959 0.69727 1.00000
Nd2 Nd 0.71343 0.27041 0.30273 1.00000
Nd3 Nd 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.13168 0.15781 0.57883 1.00000
Al2 Al 0.86832 0.84219 0.42117 1.00000
Al3 Al 0.85122 0.43696 0.86060 1.00000
Al4 Al 0.14878 0.56304 0.13940 1.00000
Al5 Al 0.50683 0.66212 0.32422 1.00000
Al6 Al 0.49317 0.33788 0.67578 1.00000
Al7 Al 0.34970 0.02025 0.28036 1.00000
Al8 Al 0.65030 0.97975 0.71964 1.00000
Pd1 Pd 0.00000 0.50000 0.50000 1.00000
Pd2 Pd 0.65365 0.69407 0.99863 1.00000
Pd3 Pd 0.34635 0.30593 0.00137 1.00000
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