Re2H8S
Alexandria ALEXAlex-ID: agm005963575 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1138_spg12
H3S Re8H H2
2023-07-11 12:26:36.862709
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963575).
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 agm005963575
data_agm005963575
_cell_length_a 4.98725
_cell_length_b 4.98725
_cell_length_c 6.70604
_cell_angle_alpha 94.25399
_cell_angle_beta 94.25399
_cell_angle_gamma 111.78812
_cell_volume 153.52013
_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
Re1 Re 0.91696 0.91696 0.31249 1.00000
Re2 Re 0.08304 0.08304 0.68751 1.00000
H1 H 0.06105 0.40309 0.70226 1.00000
H2 H 0.59691 0.93895 0.29774 1.00000
H3 H 0.77311 0.77311 0.53035 1.00000
H4 H 0.22689 0.22689 0.46965 1.00000
H5 H 0.40309 0.06105 0.70226 1.00000
H6 H 0.93895 0.59691 0.29774 1.00000
H7 H 0.61993 0.61993 0.25135 1.00000
H8 H 0.38007 0.38007 0.74865 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
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