Ga4Hg2I5
Alexandria ALEXAlex-ID: agm005656327 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_796_spg12
Ga2I3 Ga Hg
2023-06-21 15:13:47.695935
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656327).
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 agm005656327
data_agm005656327
_cell_length_a 4.28008
_cell_length_b 9.57420
_cell_length_c 10.53736
_cell_angle_alpha 83.78091
_cell_angle_beta 101.71696
_cell_angle_gamma 90.00064
_cell_volume 420.21106
_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
Ga1 Ga 0.38972 0.21203 0.77945 1.00000
Ga2 Ga 0.04333 0.67549 0.08665 1.00000
Ga3 Ga 0.61028 0.78797 0.22055 1.00000
Ga4 Ga 0.95667 0.32451 0.91335 1.00000
Hg1 Hg 0.29981 0.45755 0.59958 1.00000
Hg2 Hg 0.70019 0.54245 0.40042 1.00000
I1 I 0.91058 0.62454 0.82115 1.00000
I2 I 0.08942 0.37546 0.17885 1.00000
I3 I 0.81903 0.09771 0.63807 1.00000
I4 I 0.50000 0.00000 0.00000 1.00000
I5 I 0.18097 0.90229 0.36193 1.00000
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