Sc6InHg5
Alexandria ALEXAlex-ID: agm064089869 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
ScIn ScHg
2024-11-01 05:29:25.486075
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm064089869).
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 agm064089869
data_agm064089869
_cell_length_a 8.64160
_cell_length_b 8.64160
_cell_length_c 8.64160
_cell_angle_alpha 146.48489
_cell_angle_beta 131.71170
_cell_angle_gamma 60.05800
_cell_volume 263.56253
_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 0.92083 0.66850 0.25233 1.00000
Sc2 Sc 0.41616 0.66850 0.74767 1.00000
Sc3 Sc 0.75515 0.00000 0.75515 1.00000
Sc4 Sc 0.24485 0.00000 0.24485 1.00000
Sc5 Sc 0.58384 0.33150 0.25233 1.00000
Sc6 Sc 0.07917 0.33150 0.74767 1.00000
In1 In 0.50000 0.50000 0.00000 1.00000
Hg1 Hg 0.33670 0.83670 0.50000 1.00000
Hg2 Hg 0.16661 0.16661 0.00000 1.00000
Hg3 Hg 0.00000 0.50000 0.50000 1.00000
Hg4 Hg 0.83339 0.83339 0.00000 1.00000
Hg5 Hg 0.66330 0.16330 0.50000 1.00000
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