SmH8Ru2Au3
Alexandria ALEXAlex-ID: agm006644196 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_762_spg1
H6Au SmH5Ru Au Ru
2024-03-26 10:48:50.369491
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006644196).
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 agm006644196
data_agm006644196
_cell_length_a 4.82461
_cell_length_b 5.11665
_cell_length_c 7.35456
_cell_angle_alpha 91.69840
_cell_angle_beta 71.48994
_cell_angle_gamma 62.92466
_cell_volume 149.99828
_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
Sm1 Sm 0.04931 0.68885 0.33607 1.00000
H1 H 0.06041 0.13295 0.39894 1.00000
H2 H 0.45260 0.76088 0.05485 1.00000
H3 H 0.55065 0.78610 0.63019 1.00000
H4 H 0.21874 0.47204 0.60198 1.00000
H5 H 0.88060 0.44693 0.62237 1.00000
H6 H 0.42970 0.75460 0.42183 1.00000
H7 H 0.77626 0.40287 0.25965 1.00000
H8 H 0.55501 0.13334 0.39178 1.00000
Ru1 Ru 0.23732 0.10311 0.57939 1.00000
Ru2 Ru 0.62175 0.41760 0.50038 1.00000
Au1 Au 0.87301 0.45156 0.98226 1.00000
Au2 Au 0.17760 0.81749 0.92202 1.00000
Au3 Au 0.60972 0.12435 0.82026 1.00000
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