Ga4Hg3I4
Alexandria ALEXAlex-ID: agm005705541 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_155_spg12
Ga2I3 Ga Hg
2023-06-29 23:18:13.056934
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705541).
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 agm005705541
data_agm005705541
_cell_length_a 6.49482
_cell_length_b 4.66053
_cell_length_c 15.68235
_cell_angle_alpha 115.82786
_cell_angle_beta 101.95082
_cell_angle_gamma 90.00004
_cell_volume 415.81474
_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 0.20178 0.60991 0.40356 1.00000
Ga2 Ga 0.62778 0.89145 0.25556 1.00000
Ga3 Ga 0.37222 0.10855 0.74444 1.00000
Ga4 Ga 0.79822 0.39009 0.59644 1.00000
Hg1 Hg 0.55774 0.18785 0.11549 1.00000
Hg2 Hg 0.44226 0.81215 0.88451 1.00000
Hg3 Hg 0.00000 0.00000 0.00000 1.00000
I1 I 0.70429 0.61677 0.40858 1.00000
I2 I 0.87594 0.11932 0.75188 1.00000
I3 I 0.12406 0.88068 0.24812 1.00000
I4 I 0.29571 0.38323 0.59142 1.00000
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