Rb8H8Pd3
Alexandria ALEXAlex-ID: agm006367285 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8C8_0_spg12
Rb2H2Pd Rb2H4Pd Rb
2024-02-25 02:28:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006367285).
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 agm006367285
data_agm006367285
_cell_length_a 10.97486
_cell_length_b 10.97486
_cell_length_c 8.39484
_cell_angle_alpha 71.73604
_cell_angle_beta 71.73604
_cell_angle_gamma 30.27962
_cell_volume 482.21783
_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 0.02688 0.02688 0.72532 1.00000
Rb2 Rb 0.97312 0.97312 0.27468 1.00000
Rb3 Rb 0.33215 0.33215 0.44906 1.00000
Rb4 Rb 0.66785 0.66785 0.55094 1.00000
Rb5 Rb 0.38919 0.38919 0.94022 1.00000
Rb6 Rb 0.61081 0.61081 0.05978 1.00000
Rb7 Rb 0.20692 0.20692 0.20819 1.00000
Rb8 Rb 0.79308 0.79308 0.79181 1.00000
H1 H 0.10811 0.10811 0.98827 1.00000
H2 H 0.89189 0.89189 0.01173 1.00000
H3 H 0.17661 0.17661 0.60409 1.00000
H4 H 0.82339 0.82339 0.39591 1.00000
H5 H 0.26307 0.26307 0.82319 1.00000
H6 H 0.73693 0.73693 0.17681 1.00000
H7 H 0.48247 0.48247 0.31693 1.00000
H8 H 0.51753 0.51753 0.68307 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Pd2 Pd 0.18090 0.18090 0.81163 1.00000
Pd3 Pd 0.81910 0.81910 0.18837 1.00000
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