FeHg(H4Ru)2
Alexandria ALEXAlex-ID: agm007471074 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1901_spg12
FeH HgH4 Ru H8Ru3
2024-02-09 09:59:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007471074).
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 agm007471074
data_agm007471074
_cell_length_a 2.85799
_cell_length_b 7.20120
_cell_length_c 6.13586
_cell_angle_alpha 98.91113
_cell_angle_beta 90.67680
_cell_angle_gamma 101.51792
_cell_volume 122.12591
_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
Fe1 Fe 0.00000 0.00000 0.50000 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
H1 H 0.54539 0.09442 0.38855 1.00000
H2 H 0.79718 0.58683 0.63261 1.00000
H3 H 0.45461 0.90558 0.61145 1.00000
H4 H 0.20282 0.41317 0.36739 1.00000
H5 H 0.30782 0.63018 0.20813 1.00000
H6 H 0.69218 0.36982 0.79187 1.00000
H7 H 0.87280 0.75225 0.33429 1.00000
H8 H 0.12720 0.24775 0.66571 1.00000
Ru1 Ru 0.33311 0.66658 0.46712 1.00000
Ru2 Ru 0.66689 0.33342 0.53288 1.00000
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