NpPdPt
Alexandria ALEXAlex-ID: agm005643002 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_632_spg71
NpPd2Pt NpPt
2023-06-18 05:24:03.236842
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643002).
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 agm005643002
data_agm005643002
_cell_length_a 4.74334
_cell_length_b 5.54573
_cell_length_c 5.54573
_cell_angle_alpha 63.18513
_cell_angle_beta 64.68107
_cell_angle_gamma 64.68105
_cell_volume 112.59649
_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
Np1 Np 0.50000 0.74863 0.25137 1.00000
Np2 Np 0.50000 0.25137 0.74863 1.00000
Pd1 Pd 0.83411 0.16589 0.16589 1.00000
Pd2 Pd 0.16589 0.83411 0.83411 1.00000
Pt1 Pt 0.16794 0.33206 0.33206 1.00000
Pt2 Pt 0.83206 0.66794 0.66794 1.00000
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