HgH11Ru5
Alexandria ALEXAlex-ID: agm006540339 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C11_59_spg8
H8Ru3 HgH4 Ru
2024-02-26 10:34:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006540339).
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 agm006540339
data_agm006540339
_cell_length_a 4.77664
_cell_length_b 4.77664
_cell_length_c 7.55942
_cell_angle_alpha 79.92756
_cell_angle_beta 79.92756
_cell_angle_gamma 118.03240
_cell_volume 143.18810
_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 0.98061 0.98061 0.11749 1.00000
H1 H 0.78973 0.78973 0.71324 1.00000
H2 H 0.34153 0.34153 0.20363 1.00000
H3 H 0.87367 0.22001 0.46057 1.00000
H4 H 0.07197 0.40075 0.71713 1.00000
H5 H 0.40075 0.07197 0.71713 1.00000
H6 H 0.22001 0.87367 0.46057 1.00000
H7 H 0.50961 0.50961 0.46408 1.00000
H8 H 0.63775 0.28234 0.86019 1.00000
H9 H 0.39608 0.78280 0.06210 1.00000
H10 H 0.78280 0.39608 0.06210 1.00000
H11 H 0.28234 0.63775 0.86019 1.00000
Ru1 Ru 0.28288 0.62555 0.30555 1.00000
Ru2 Ru 0.78522 0.44995 0.61858 1.00000
Ru3 Ru 0.44995 0.78522 0.61858 1.00000
Ru4 Ru 0.62555 0.28288 0.30555 1.00000
Ru5 Ru 0.56218 0.56218 0.95371 1.00000
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