Rb2HgH7
Alexandria ALEXAlex-ID: agm006201799 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1160_spg1
RbHg2 RbH7 RbH
2024-02-01 12:05:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201799).
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 agm006201799
data_agm006201799
_cell_length_a 5.26556
_cell_length_b 3.97847
_cell_length_c 8.88327
_cell_angle_alpha 76.20131
_cell_angle_beta 87.74220
_cell_angle_gamma 110.42152
_cell_volume 167.82129
_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
H1 H 0.92696 0.69242 0.00955 1.00000
H2 H 0.90458 0.32627 0.74237 1.00000
H3 H 0.40667 0.48334 0.91908 1.00000
H4 H 0.40500 0.15369 0.26031 1.00000
H5 H 0.50516 0.77404 0.44800 1.00000
H6 H 0.35911 0.27963 0.19708 1.00000
H7 H 0.55976 0.56496 0.88932 1.00000
Hg1 Hg 0.90783 0.19916 0.97755 1.00000
Rb1 Rb 0.33560 0.06700 0.67792 1.00000
Rb2 Rb 0.92172 0.51688 0.34700 1.00000
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