Li6GaHg12
Alexandria ALEXAlex-ID: agm003691069 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_24_spg148
Li2Ga7 Hg LiHg
2022-04-13 00:15:16.353396
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003691069).
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 agm003691069
data_agm003691069
_cell_length_a 7.40966
_cell_length_b 7.40966
_cell_length_c 7.40966
_cell_angle_alpha 91.96873
_cell_angle_beta 91.96873
_cell_angle_gamma 91.96873
_cell_volume 406.07612
_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
Li1 Li 0.71415 0.88478 0.26339 1.00000
Li2 Li 0.73661 0.28585 0.11522 1.00000
Li3 Li 0.11522 0.73661 0.28585 1.00000
Li4 Li 0.28585 0.11522 0.73661 1.00000
Li5 Li 0.26339 0.71415 0.88478 1.00000
Li6 Li 0.88478 0.26339 0.71415 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.79974 0.55239 0.44082 1.00000
Hg2 Hg 0.44082 0.79974 0.55239 1.00000
Hg3 Hg 0.55239 0.44082 0.79974 1.00000
Hg4 Hg 0.20026 0.44761 0.55918 1.00000
Hg5 Hg 0.55918 0.20026 0.44761 1.00000
Hg6 Hg 0.44761 0.55918 0.20026 1.00000
Hg7 Hg 0.00422 0.14069 0.36236 1.00000
Hg8 Hg 0.85931 0.63764 0.99578 1.00000
Hg9 Hg 0.63764 0.99578 0.85931 1.00000
Hg10 Hg 0.99578 0.85931 0.63764 1.00000
Hg11 Hg 0.14069 0.36236 0.00422 1.00000
Hg12 Hg 0.36236 0.00422 0.14069 1.00000
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