Rb(Hg3H)2
Alexandria ALEXAlex-ID: agm005753960 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2417_spg71
Rb5Hg19 HgH4 Hg
2023-07-07 09:34:12.711635
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753960).
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 agm005753960
data_agm005753960
_cell_length_a 7.02483
_cell_length_b 9.26547
_cell_length_c 6.94861
_cell_angle_alpha 101.75520
_cell_angle_beta 65.11167
_cell_angle_gamma 49.33757
_cell_volume 223.89017
_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 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.10244 0.37021 0.22486 1.00000
Hg2 Hg 0.72279 0.90433 0.55448 1.00000
Hg3 Hg 0.89756 0.62979 0.77514 1.00000
Hg4 Hg 0.44632 0.65991 0.20140 1.00000
Hg5 Hg 0.27721 0.09567 0.44552 1.00000
Hg6 Hg 0.55368 0.34009 0.79860 1.00000
H1 H 0.69077 0.50942 0.30617 1.00000
H2 H 0.30923 0.49058 0.69383 1.00000
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