NpAl2H8Pd
Alexandria ALEXAlex-ID: agm007598535 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_200_spg2
AlH9 AlH3 NpH3 AlPd
2024-02-10 17:12:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007598535).
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 agm007598535
data_agm007598535
_cell_length_a 3.98731
_cell_length_b 3.98501
_cell_length_c 6.78599
_cell_angle_alpha 89.80596
_cell_angle_beta 89.60661
_cell_angle_gamma 99.58100
_cell_volume 106.31790
_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 0.50000 1.00000
Al1 Al 0.44464 0.44597 0.79926 1.00000
Al2 Al 0.55536 0.55403 0.20074 1.00000
H1 H 0.47957 0.85737 0.37412 1.00000
H2 H 0.71497 0.28493 0.99949 1.00000
H3 H 0.52043 0.14263 0.62588 1.00000
H4 H 0.14442 0.52149 0.62500 1.00000
H5 H 0.85558 0.47851 0.37500 1.00000
H6 H 0.77587 0.77524 0.77617 1.00000
H7 H 0.22413 0.22476 0.22383 1.00000
H8 H 0.28503 0.71507 0.00051 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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