In(Ga3Hg)2
Alexandria ALEXAlex-ID: agm071473345 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_5885_spg212
In Ga Hg
2024-09-10 01:06:30.822628
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071473345).
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 agm071473345
data_agm071473345
_cell_length_a 9.15926
_cell_length_b 9.15926
_cell_length_c 9.15926
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 768.38934
_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
In1 In 0.62500 0.62500 0.62500 1.00000
In2 In 0.87500 0.37500 0.12500 1.00000
In3 In 0.37500 0.12500 0.87500 1.00000
In4 In 0.12500 0.87500 0.37500 1.00000
Ga1 Ga 0.16011 0.90388 0.03271 1.00000
Ga2 Ga 0.33989 0.09612 0.53271 1.00000
Ga3 Ga 0.83989 0.40388 0.46729 1.00000
Ga4 Ga 0.66011 0.59612 0.96729 1.00000
Ga5 Ga 0.03271 0.16011 0.90388 1.00000
Ga6 Ga 0.53271 0.33989 0.09612 1.00000
Ga7 Ga 0.46729 0.83989 0.40388 1.00000
Ga8 Ga 0.96729 0.66011 0.59612 1.00000
Ga9 Ga 0.90388 0.03271 0.16011 1.00000
Ga10 Ga 0.09612 0.53271 0.33989 1.00000
Ga11 Ga 0.40388 0.46729 0.83989 1.00000
Ga12 Ga 0.59612 0.96729 0.66011 1.00000
Ga13 Ga 0.15388 0.91011 0.71729 1.00000
Ga14 Ga 0.34612 0.08989 0.21729 1.00000
Ga15 Ga 0.65388 0.58989 0.28271 1.00000
Ga16 Ga 0.84612 0.41011 0.78271 1.00000
Ga17 Ga 0.41011 0.78271 0.84612 1.00000
Ga18 Ga 0.58989 0.28271 0.65388 1.00000
Ga19 Ga 0.08989 0.21729 0.34612 1.00000
Ga20 Ga 0.91011 0.71729 0.15388 1.00000
Ga21 Ga 0.28271 0.65388 0.58989 1.00000
Ga22 Ga 0.78271 0.84612 0.41011 1.00000
Ga23 Ga 0.71729 0.15388 0.91011 1.00000
Ga24 Ga 0.21729 0.34612 0.08989 1.00000
Hg1 Hg 0.84249 0.84249 0.84249 1.00000
Hg2 Hg 0.65751 0.15751 0.34249 1.00000
Hg3 Hg 0.15751 0.34249 0.65751 1.00000
Hg4 Hg 0.34249 0.65751 0.15751 1.00000
Hg5 Hg 0.09249 0.59249 0.90751 1.00000
Hg6 Hg 0.40751 0.40751 0.40751 1.00000
Hg7 Hg 0.59249 0.90751 0.09249 1.00000
Hg8 Hg 0.90751 0.09249 0.59249 1.00000
