Fe2HgH8
Alexandria ALEXAlex-ID: agm007306560 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_548_spg12
HgH4 H2 FeH
2024-10-22 09:37:49.951398
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007306560).
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 agm007306560
data_agm007306560
_cell_length_a 4.22275
_cell_length_b 4.22275
_cell_length_c 7.27993
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 117.87453
_cell_volume 114.75120
_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 0.63642 0.28480 0.00000 1.00000
Fe2 Fe 0.28480 0.63642 0.00000 1.00000
Hg1 Hg 0.89856 0.89856 0.50000 1.00000
H1 H 0.39211 0.97524 0.15191 1.00000
H2 H 0.97524 0.39211 0.15191 1.00000
H3 H 0.41353 0.41353 0.85378 1.00000
H4 H 0.39211 0.97524 0.84809 1.00000
H5 H 0.97524 0.39211 0.84809 1.00000
H6 H 0.41353 0.41353 0.14622 1.00000
H7 H 0.93859 0.71388 0.00000 1.00000
H8 H 0.71388 0.93859 0.00000 1.00000
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