RbHgPd
Alexandria ALEXAlex-ID: agm005644335 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_30_spg11
Rb3(HgPd)4 Rb
2023-06-18 07:11:26.093571
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644335).
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 agm005644335
data_agm005644335
_cell_length_a 4.94512
_cell_length_b 5.05740
_cell_length_c 8.36495
_cell_angle_alpha 89.99915
_cell_angle_beta 107.19263
_cell_angle_gamma 90.00287
_cell_volume 199.85477
_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 0.40336 0.25000 0.30671 1.00000
Rb2 Rb 0.59664 0.75000 0.69329 1.00000
Hg1 Hg 0.82637 0.75000 0.15275 1.00000
Hg2 Hg 0.17363 0.25000 0.84725 1.00000
Pd1 Pd 0.24873 0.75000 0.99747 1.00000
Pd2 Pd 0.75127 0.25000 0.00253 1.00000
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