RbNi2H8Pd3
Alexandria ALEXAlex-ID: agm006770366 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_738_spg1
Rb2H6Pd Rb(NiH2)4 RbH2Pd HPd
2024-03-26 10:13:11.795888
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006770366).
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 agm006770366
data_agm006770366
_cell_length_a 4.58674
_cell_length_b 5.45133
_cell_length_c 6.52085
_cell_angle_alpha 81.32119
_cell_angle_beta 86.53870
_cell_angle_gamma 87.19086
_cell_volume 160.75385
_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
Rb1 Rb 0.42724 0.91805 0.24935 1.00000
Ni1 Ni 0.41499 0.20384 0.71017 1.00000
Ni2 Ni 0.43714 0.62750 0.80090 1.00000
H1 H 0.69039 0.17303 0.54303 1.00000
H2 H 0.30594 0.49534 0.59845 1.00000
H3 H 0.15471 0.13411 0.57059 1.00000
H4 H 0.50790 0.92021 0.81799 1.00000
H5 H 0.31728 0.32598 0.92734 1.00000
H6 H 0.11825 0.70658 0.92057 1.00000
H7 H 0.60741 0.54461 0.01889 1.00000
H8 H 0.71451 0.68770 0.60983 1.00000
Pd1 Pd 0.92172 0.42430 0.55303 1.00000
Pd2 Pd 0.91618 0.91436 0.72325 1.00000
Pd3 Pd 0.94438 0.41707 0.97124 1.00000
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