HgH2Au
Alexandria ALEXAlex-ID: agm005703968 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8775_spg15
Hg HgH4 Au
2023-07-09 21:12:24.555985
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703968).
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 agm005703968
data_agm005703968
_cell_length_a 4.71909
_cell_length_b 2.87869
_cell_length_c 11.47347
_cell_angle_alpha 81.92645
_cell_angle_beta 90.32655
_cell_angle_gamma 89.76949
_cell_volume 154.31565
_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 0.24740 0.62824 0.74485 1.00000
Hg2 Hg 0.75260 0.37176 0.25515 1.00000
H1 H 0.82034 0.96929 0.93505 1.00000
H2 H 0.17966 0.03071 0.06495 1.00000
H3 H 0.67838 0.08966 0.93325 1.00000
H4 H 0.32162 0.91034 0.06675 1.00000
Au1 Au 0.00000 0.50000 0.50000 1.00000
Au2 Au 0.50000 0.00000 0.50000 1.00000
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