NpH4Pd
Alexandria ALEXAlex-ID: agm096941315 · Space group: Pmn2_1 (#31)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1884_spg12
HPd NpH3
2025-05-27 16:59:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096941315).
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 agm096941315
data_agm096941315
_cell_length_a 3.80930
_cell_length_b 3.80859
_cell_length_c 8.36095
_cell_angle_alpha 90.00000
_cell_angle_beta 89.99371
_cell_angle_gamma 90.00000
_cell_volume 121.30109
_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 0.75025 0.00178 0.34634 1.00000
Np2 Np 0.24975 0.50178 0.65366 1.00000
H1 H 0.25016 0.00068 0.20698 1.00000
H2 H 0.75014 0.50183 0.20680 1.00000
H3 H 0.74984 0.50068 0.79302 1.00000
H4 H 0.24986 0.00183 0.79320 1.00000
H5 H 0.75213 0.98778 0.61864 1.00000
H6 H 0.24787 0.48778 0.38136 1.00000
H7 H 0.75006 0.00106 0.01134 1.00000
H8 H 0.24994 0.50106 0.98866 1.00000
Pd1 Pd 0.25004 0.00092 0.00009 1.00000
Pd2 Pd 0.74996 0.50092 0.99991 1.00000
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