Sm4Ag2HgRu
Alexandria ALEXAlex-ID: agm045784228 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
Sm4Ag3Hg Sm6Hg5Ru Sm2AgRu
2025-03-07 08:20:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045784228).
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
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# CIF generated by HEAS from Alexandria entry agm045784228
data_agm045784228
_cell_length_a 5.22116
_cell_length_b 5.22116
_cell_length_c 8.90372
_cell_angle_alpha 72.88735
_cell_angle_beta 107.11265
_cell_angle_gamma 120.05630
_cell_volume 197.59090
_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 0.61547 0.38453 0.34628 1.00000
Sm2 Sm 0.13210 0.86790 0.89645 1.00000
Sm3 Sm 0.86790 0.13210 0.10355 1.00000
Sm4 Sm 0.38453 0.61547 0.65372 1.00000
Ag1 Ag 0.25667 0.74333 0.26974 1.00000
Ag2 Ag 0.74333 0.25667 0.73026 1.00000
Hg1 Hg 0.00000 0.00000 0.50000 1.00000
Ru1 Ru 0.50000 0.50000 0.00000 1.00000
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