Nd3(PPd)4
Alexandria ALEXAlex-ID: agm005708193 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_0_spg71
NdPPd Nd7P12Pd17 NdP
2023-06-29 21:49:03.453736
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708193).
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 agm005708193
data_agm005708193
_cell_length_a 4.13999
_cell_length_b 4.11886
_cell_length_c 12.60545
_cell_angle_alpha 99.40292
_cell_angle_beta 99.45160
_cell_angle_gamma 90.00001
_cell_volume 209.10264
_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 0.35055 0.85055 0.70109 1.00000
Nd2 Nd 0.64945 0.14945 0.29891 1.00000
Nd3 Nd 0.00000 0.00000 0.00000 1.00000
P1 P 0.80875 0.30875 0.61751 1.00000
P2 P 0.45304 0.45304 0.90608 1.00000
P3 P 0.54696 0.54696 0.09392 1.00000
P4 P 0.19125 0.69125 0.38249 1.00000
Pd1 Pd 0.25166 0.25166 0.50331 1.00000
Pd2 Pd 0.09410 0.59410 0.18821 1.00000
Pd3 Pd 0.90590 0.40590 0.81179 1.00000
Pd4 Pd 0.74834 0.74834 0.49669 1.00000
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