Sc6Ga8Hg
Alexandria ALEXAlex-ID: agm072936232 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_45_spg148
ScGa Sc3Ga5 ScHg
2024-10-07 06:21:30.676222
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072936232).
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 agm072936232
data_agm072936232
_cell_length_a 7.16437
_cell_length_b 7.16437
_cell_length_c 7.16437
_cell_angle_alpha 68.02536
_cell_angle_beta 68.02536
_cell_angle_gamma 68.02536
_cell_volume 304.29223
_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 0.84008 0.60312 0.34480 1.00000
Sc2 Sc 0.60312 0.34480 0.84008 1.00000
Sc3 Sc 0.34480 0.84008 0.60312 1.00000
Sc4 Sc 0.15992 0.39688 0.65520 1.00000
Sc5 Sc 0.39688 0.65520 0.15992 1.00000
Sc6 Sc 0.65520 0.15992 0.39688 1.00000
Ga1 Ga 0.71283 0.71283 0.71283 1.00000
Ga2 Ga 0.28717 0.28717 0.28717 1.00000
Ga3 Ga 0.16181 0.56099 0.95897 1.00000
Ga4 Ga 0.56099 0.95897 0.16181 1.00000
Ga5 Ga 0.95897 0.16181 0.56099 1.00000
Ga6 Ga 0.83819 0.43901 0.04103 1.00000
Ga7 Ga 0.43901 0.04103 0.83819 1.00000
Ga8 Ga 0.04103 0.83819 0.43901 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Get direct link