HgH3Rh
Alexandria ALEXAlex-ID: agm005836282 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7888_spg11
H8Rh3 Hg HgH4
2023-07-04 02:47:47.715760
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005836282).
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 agm005836282
data_agm005836282
_cell_length_a 5.57970
_cell_length_b 4.81482
_cell_length_c 6.08503
_cell_angle_alpha 90.00045
_cell_angle_beta 134.33510
_cell_angle_gamma 89.99959
_cell_volume 116.92867
_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
Hg1 Hg 0.73151 0.94761 0.90433 1.00000
Hg2 Hg 0.30280 0.44761 0.65626 1.00000
H1 H 0.07631 0.44763 0.18403 1.00000
H2 H 0.95800 0.94761 0.37656 1.00000
H3 H 0.78281 0.18427 0.54293 1.00000
H4 H 0.78281 0.71097 0.54293 1.00000
H5 H 0.25151 0.68426 0.01766 1.00000
H6 H 0.25150 0.21097 0.01766 1.00000
Rh1 Rh 0.94549 0.44762 0.85063 1.00000
Rh2 Rh 0.08882 0.94762 0.70996 1.00000
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