Sm2Ag3Hg
Alexandria ALEXAlex-ID: agm003412876 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_862_spg69
SmAgHg SmAg2
2022-02-12 13:04:50.319625
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003412876).
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 agm003412876
data_agm003412876
_cell_length_a 5.94581
_cell_length_b 5.94581
_cell_length_c 9.15354
_cell_angle_alpha 102.24005
_cell_angle_beta 102.24005
_cell_angle_gamma 110.31795
_cell_volume 281.79777
_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 0.25000 0.75000 0.50000 1.00000
Sm2 Sm 0.75203 0.75203 1.00000 1.00000
Sm3 Sm 0.75000 0.25000 0.50000 1.00000
Sm4 Sm 0.24797 0.24797 0.00000 1.00000
Ag1 Ag 0.33007 0.83438 0.16445 1.00000
Ag2 Ag 0.16562 0.66993 0.83555 1.00000
Ag3 Ag 0.66993 0.16562 0.83555 1.00000
Ag4 Ag 0.83438 0.33007 0.16445 1.00000
Ag5 Ag 0.16507 0.16507 0.33014 1.00000
Ag6 Ag 0.83493 0.83493 0.66986 1.00000
Hg1 Hg 0.66656 0.66656 0.33312 1.00000
Hg2 Hg 0.33344 0.33344 0.66688 1.00000
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