Sc5AgHg
Alexandria ALEXAlex-ID: agm003759846 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_366_spg15
Sc2Ag Sc2Hg Sc
2022-04-19 19:58:48.634828
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003759846).
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 agm003759846
data_agm003759846
_cell_length_a 5.90724
_cell_length_b 5.90724
_cell_length_c 9.55659
_cell_angle_alpha 95.89858
_cell_angle_beta 95.89858
_cell_angle_gamma 93.09517
_cell_volume 329.25695
_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
Sc1 Sc 0.99693 0.62718 0.17936 1.00000
Sc2 Sc 0.23739 0.47144 0.49125 1.00000
Sc3 Sc 0.62718 0.99693 0.67936 1.00000
Sc4 Sc 0.83794 0.16206 0.25000 1.00000
Sc5 Sc 0.52856 0.76261 0.00875 1.00000
Sc6 Sc 0.47144 0.23739 0.99125 1.00000
Sc7 Sc 0.16206 0.83794 0.75000 1.00000
Sc8 Sc 0.37282 0.00307 0.32064 1.00000
Sc9 Sc 0.76261 0.52856 0.50875 1.00000
Sc10 Sc 0.00307 0.37282 0.82064 1.00000
Ag1 Ag 0.48307 0.51693 0.25000 1.00000
Ag2 Ag 0.51693 0.48307 0.75000 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Hg2 Hg 0.00000 0.00000 0.50000 1.00000
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