NpH8Pd3
Alexandria ALEXAlex-ID: agm007162089 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_143_spg1
H4Pd HPd NpH3
2025-05-27 08:39:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007162089).
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 agm007162089
data_agm007162089
_cell_length_a 4.34354
_cell_length_b 5.09529
_cell_length_c 5.92614
_cell_angle_alpha 110.76652
_cell_angle_beta 88.52243
_cell_angle_gamma 117.62973
_cell_volume 107.11684
_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 0.00000 0.50000 1.00000
H1 H 0.87600 0.75037 0.45521 1.00000
H2 H 0.93372 0.28937 0.24389 1.00000
H3 H 0.12400 0.24963 0.54479 1.00000
H4 H 0.62651 0.75589 0.11491 1.00000
H5 H 0.37349 0.24411 0.88509 1.00000
H6 H 0.35639 0.19744 0.24212 1.00000
H7 H 0.64361 0.80256 0.75788 1.00000
H8 H 0.06628 0.71063 0.75611 1.00000
Pd1 Pd 0.73625 0.47435 0.16546 1.00000
Pd2 Pd 0.26375 0.52565 0.83454 1.00000
Pd3 Pd 0.00000 0.00000 0.00000 1.00000
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