Nd2ZrPd3
Alexandria ALEXAlex-ID: agm034719306 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_142_spg12
ZrPd NdPd
2025-04-14 15:27:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034719306).
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 agm034719306
data_agm034719306
_cell_length_a 8.27754
_cell_length_b 8.27754
_cell_length_c 5.41529
_cell_angle_alpha 75.39191
_cell_angle_beta 104.60809
_cell_angle_gamma 59.84592
_cell_volume 276.80588
_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 0.50000 0.50000 0.00000 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.82844 0.82844 0.00000 1.00000
Nd4 Nd 0.17156 0.17156 0.00000 1.00000
Zr1 Zr 0.66528 0.66528 0.50000 1.00000
Zr2 Zr 0.33472 0.33472 0.50000 1.00000
Pd1 Pd 0.70932 0.29068 0.66500 1.00000
Pd2 Pd 0.29068 0.70932 0.33500 1.00000
Pd3 Pd 0.05225 0.60159 0.66064 1.00000
Pd4 Pd 0.39841 0.94775 0.66064 1.00000
Pd5 Pd 0.60159 0.05225 0.33936 1.00000
Pd6 Pd 0.94775 0.39841 0.33936 1.00000
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