Hg2H7Rh
Alexandria ALEXAlex-ID: agm006206293 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
H8Rh3 Hg HgH4
2024-02-01 12:31:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006206293).
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 agm006206293
data_agm006206293
_cell_length_a 5.47562
_cell_length_b 5.54204
_cell_length_c 6.90796
_cell_angle_alpha 122.55731
_cell_angle_beta 56.28490
_cell_angle_gamma 123.88469
_cell_volume 136.58849
_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 0.04224 0.60188 0.27863 1.00000
H2 H 0.88022 0.08156 0.77476 1.00000
H3 H 0.26456 0.45141 0.77291 1.00000
H4 H 0.15091 0.15692 0.03909 1.00000
H5 H 0.57163 0.78294 0.45044 1.00000
H6 H 0.68987 0.28823 0.27656 1.00000
H7 H 0.83357 0.50792 0.01885 1.00000
Hg1 Hg 0.36328 0.97578 0.71458 1.00000
Hg2 Hg 0.43959 0.88004 0.13845 1.00000
Rh1 Rh 0.99653 0.33070 0.00388 1.00000
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