Np3Pd7Pt2
Alexandria ALEXAlex-ID: agm024972658 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
NpPd2Pt NpPd3
2025-05-17 08:51:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024972658).
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
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# CIF generated by HEAS from Alexandria entry agm024972658
data_agm024972658
_cell_length_a 9.47356
_cell_length_b 9.47356
_cell_length_c 9.47356
_cell_angle_alpha 32.79157
_cell_angle_beta 32.79157
_cell_angle_gamma 32.79157
_cell_volume 221.85707
_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 0.00000 0.00000 0.00000 1.00000
Np2 Np 0.14324 0.14324 0.14324 1.00000
Np3 Np 0.85676 0.85676 0.85676 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Pd2 Pd 0.08215 0.58644 0.58644 1.00000
Pd3 Pd 0.58644 0.58644 0.08215 1.00000
Pd4 Pd 0.58644 0.08215 0.58644 1.00000
Pd5 Pd 0.91785 0.41356 0.41356 1.00000
Pd6 Pd 0.41356 0.91785 0.41356 1.00000
Pd7 Pd 0.41356 0.41356 0.91785 1.00000
Pt1 Pt 0.33302 0.33302 0.33302 1.00000
Pt2 Pt 0.66698 0.66698 0.66698 1.00000
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