HgRu3
Alexandria ALEXAlex-ID: agm005489068 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_6_spg139
Ru Hg
2023-03-19 03:38:52.860787
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005489068).
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 agm005489068
data_agm005489068
_cell_length_a 8.55598
_cell_length_b 8.55598
_cell_length_c 8.55598
_cell_angle_alpha 153.52131
_cell_angle_beta 153.52131
_cell_angle_gamma 37.79574
_cell_volume 124.32243
_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 0.37667 0.37667 0.00000 1.00000
Hg2 Hg 0.62333 0.62333 0.00000 1.00000
Ru1 Ru 0.50000 0.00000 0.50000 1.00000
Ru2 Ru 0.12978 0.12978 0.00000 1.00000
Ru3 Ru 0.87022 0.87022 0.00000 1.00000
Ru4 Ru 0.75000 0.25000 0.50000 1.00000
Ru5 Ru 0.25000 0.75000 0.50000 1.00000
Ru6 Ru 0.00000 0.50000 0.50000 1.00000
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