NpH8Pd2Ru
Alexandria ALEXAlex-ID: agm007617022 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1352_spg1
H4Pd NpH5Ru HPd
2024-03-16 06:59:47.066138
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007617022).
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 agm007617022
data_agm007617022
_cell_length_a 4.87238
_cell_length_b 4.57144
_cell_length_c 4.59470
_cell_angle_alpha 96.06843
_cell_angle_beta 84.95227
_cell_angle_gamma 90.96115
_cell_volume 101.37043
_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 0.99458 0.47525 0.44994 1.00000
H1 H 0.49426 0.60779 0.33393 1.00000
H2 H 0.27395 0.15705 0.08706 1.00000
H3 H 0.51575 0.33580 0.58817 1.00000
H4 H 0.83854 0.26150 0.96082 1.00000
H5 H 0.16644 0.59024 0.94844 1.00000
H6 H 0.84984 0.95242 0.35799 1.00000
H7 H 0.16230 0.95093 0.63592 1.00000
H8 H 0.71713 0.78538 0.80472 1.00000
Pd1 Pd 0.46936 0.99430 0.37832 1.00000
Pd2 Pd 0.52413 0.46798 0.96279 1.00000
Ru1 Ru 0.99372 0.92135 0.99190 1.00000
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