NdYPd3
Alexandria ALEXAlex-ID: agm005773793 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1060_spg11
Y3Pd5 Nd3Pd5 NdPd
2023-07-06 05:09:03.984467
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773793).
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 agm005773793
data_agm005773793
_cell_length_a 5.32858
_cell_length_b 5.64371
_cell_length_c 7.41970
_cell_angle_alpha 90.00000
_cell_angle_beta 104.72472
_cell_angle_gamma 90.00000
_cell_volume 215.80432
_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 0.07971 0.75000 0.15196 1.00000
Nd2 Nd 0.92029 0.25000 0.84804 1.00000
Y1 Y 0.76700 0.25000 0.35990 1.00000
Y2 Y 0.23300 0.75000 0.64010 1.00000
Pd1 Pd 0.76853 0.75000 0.75433 1.00000
Pd2 Pd 0.50000 0.50000 0.00000 1.00000
Pd3 Pd 0.50000 0.00000 0.00000 1.00000
Pd4 Pd 0.23147 0.25000 0.24567 1.00000
Pd5 Pd 0.34100 0.25000 0.63358 1.00000
Pd6 Pd 0.65900 0.75000 0.36642 1.00000
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