Ac5Hg2Ru
Alexandria ALEXAlex-ID: agm045794329 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_2339_spg62
Ac5Hg2Ru
2024-10-16 03:59:32.519458
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045794329).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm045794329
data_agm045794329
_cell_length_a 8.93403
_cell_length_b 9.61767
_cell_length_c 13.08833
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1124.60936
_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
Ac1 Ac 0.75000 0.95473 0.50975 1.00000
Ac2 Ac 0.25000 0.04527 0.49025 1.00000
Ac3 Ac 0.25000 0.45473 0.99025 1.00000
Ac4 Ac 0.75000 0.54527 0.00975 1.00000
Ac5 Ac 0.03418 0.67339 0.43260 1.00000
Ac6 Ac 0.96582 0.32661 0.56740 1.00000
Ac7 Ac 0.96582 0.17339 0.06740 1.00000
Ac8 Ac 0.53418 0.32661 0.56740 1.00000
Ac9 Ac 0.03418 0.82661 0.93260 1.00000
Ac10 Ac 0.46582 0.67339 0.43260 1.00000
Ac11 Ac 0.46582 0.82661 0.93260 1.00000
Ac12 Ac 0.53418 0.17339 0.06740 1.00000
Ac13 Ac 0.75000 0.85114 0.20706 1.00000
Ac14 Ac 0.25000 0.14886 0.79294 1.00000
Ac15 Ac 0.25000 0.35114 0.29294 1.00000
Ac16 Ac 0.75000 0.64886 0.70706 1.00000
Ac17 Ac 0.75000 0.39384 0.29835 1.00000
Ac18 Ac 0.25000 0.60616 0.70165 1.00000
Ac19 Ac 0.25000 0.89384 0.20165 1.00000
Ac20 Ac 0.75000 0.10616 0.79835 1.00000
Hg1 Hg 0.46653 0.59477 0.17172 1.00000
Hg2 Hg 0.53347 0.40523 0.82828 1.00000
Hg3 Hg 0.53347 0.09477 0.32828 1.00000
Hg4 Hg 0.96653 0.40523 0.82828 1.00000
Hg5 Hg 0.46653 0.90523 0.67172 1.00000
Hg6 Hg 0.03347 0.59477 0.17172 1.00000
Hg7 Hg 0.03347 0.90523 0.67172 1.00000
Hg8 Hg 0.96653 0.09477 0.32828 1.00000
Ru1 Ru 0.75000 0.55539 0.49219 1.00000
Ru2 Ru 0.25000 0.44461 0.50781 1.00000
Ru3 Ru 0.25000 0.05539 0.00781 1.00000
Ru4 Ru 0.75000 0.94461 0.99219 1.00000
