NpPd2PtAu
Alexandria ALEXAlex-ID: agm005010365 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1911_spg11
NpPdPt2 NpPd2Pt PdAu17 NpPdAu4
2022-07-05 00:40:36.833970
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005010365).
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 agm005010365
data_agm005010365
_cell_length_a 4.15985
_cell_length_b 6.73183
_cell_length_c 6.68875
_cell_angle_alpha 98.33299
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 185.33027
_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 0.25000 0.77517 0.80482 1.00000
Np2 Np 0.75000 0.22483 0.19518 1.00000
Pd1 Pd 0.75000 0.64074 0.47257 1.00000
Pd2 Pd 0.25000 0.35926 0.52743 1.00000
Pd3 Pd 0.75000 0.46614 0.82809 1.00000
Pd4 Pd 0.25000 0.53386 0.17191 1.00000
Pt1 Pt 0.25000 0.20082 0.89376 1.00000
Pt2 Pt 0.75000 0.79918 0.10624 1.00000
Au1 Au 0.25000 0.93092 0.36951 1.00000
Au2 Au 0.75000 0.06908 0.63049 1.00000
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