SmNp(H4Pd)2
Alexandria ALEXAlex-ID: agm007396751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_303_spg148
SmH4Pd H4Pd SmH4Pd3 NpH3
2025-05-28 05:26:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007396751).
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 agm007396751
data_agm007396751
_cell_length_a 4.51157
_cell_length_b 4.51157
_cell_length_c 7.13742
_cell_angle_alpha 68.24143
_cell_angle_beta 111.75857
_cell_angle_gamma 110.12664
_cell_volume 121.66334
_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
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Np1 Np 0.50000 0.50000 0.50000 1.00000
H1 H 0.90793 0.09207 0.59688 1.00000
H2 H 0.55994 0.44006 0.20472 1.00000
H3 H 0.09207 0.90793 0.40312 1.00000
H4 H 0.12061 0.48248 0.18080 1.00000
H5 H 0.87939 0.51752 0.81920 1.00000
H6 H 0.51752 0.87939 0.18080 1.00000
H7 H 0.48248 0.12061 0.81920 1.00000
H8 H 0.44006 0.55994 0.79528 1.00000
Pd1 Pd 0.81340 0.18660 0.29896 1.00000
Pd2 Pd 0.18660 0.81340 0.70104 1.00000
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