Nd3Pd3Pt
Alexandria ALEXAlex-ID: agm005963637 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_599_spg44
Nd2PdPt Nd3Pd5 NdPt
2023-08-06 12:21:25.724549
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963637).
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 agm005963637
data_agm005963637
_cell_length_a 4.39442
_cell_length_b 3.93203
_cell_length_c 10.05530
_cell_angle_alpha 101.27512
_cell_angle_beta 102.62168
_cell_angle_gamma 90.00000
_cell_volume 166.10859
_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 0.31628 0.81628 0.63256 1.00000
Nd2 Nd 0.68485 0.18485 0.36970 1.00000
Nd3 Nd 0.99685 0.99685 0.99370 1.00000
Pd1 Pd 0.15614 0.65614 0.31227 1.00000
Pd2 Pd 0.84386 0.34386 0.68772 1.00000
Pd3 Pd 0.56949 0.56949 0.13898 1.00000
Pt1 Pt 0.43253 0.43253 0.86506 1.00000
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