In4Ga2Hg9
Alexandria ALEXAlex-ID: agm005644409 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_125_spg2
In Ga Hg
2023-06-16 19:10:45.074159
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644409).
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 agm005644409
data_agm005644409
_cell_length_a 8.19029
_cell_length_b 8.42187
_cell_length_c 17.40566
_cell_angle_alpha 78.28247
_cell_angle_beta 76.94683
_cell_angle_gamma 41.98976
_cell_volume 781.30161
_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 0.31352 0.27471 0.96318 1.00000
In2 In 0.28682 0.36657 0.47163 1.00000
In3 In 0.68648 0.72529 0.03682 1.00000
In4 In 0.78116 0.98185 0.14859 1.00000
In5 In 0.71318 0.63343 0.52837 1.00000
In6 In 0.01125 0.42441 0.32017 1.00000
In7 In 0.98875 0.57559 0.67983 1.00000
In8 In 0.21884 0.01815 0.85141 1.00000
Ga1 Ga 0.21984 0.92735 0.36747 1.00000
Ga2 Ga 0.93899 0.93123 0.30181 1.00000
Ga3 Ga 0.78016 0.07265 0.63253 1.00000
Ga4 Ga 0.06101 0.06877 0.69819 1.00000
Hg1 Hg 0.61123 0.55174 0.72405 1.00000
Hg2 Hg 0.11356 0.71499 0.80073 1.00000
Hg3 Hg 0.51835 0.14927 0.79073 1.00000
Hg4 Hg 0.38877 0.44826 0.27595 1.00000
Hg5 Hg 0.88644 0.28501 0.19927 1.00000
Hg6 Hg 0.48165 0.85073 0.20927 1.00000
Hg7 Hg 0.87301 0.91490 0.48070 1.00000
Hg8 Hg 0.57288 0.94551 0.36151 1.00000
Hg9 Hg 0.62734 0.43360 0.40770 1.00000
Hg10 Hg 0.18729 0.39716 0.13536 1.00000
Hg11 Hg 0.41905 0.57904 0.08819 1.00000
Hg12 Hg 0.05806 0.12133 0.03109 1.00000
Hg13 Hg 0.12699 0.08510 0.51930 1.00000
Hg14 Hg 0.42712 0.05449 0.63849 1.00000
Hg15 Hg 0.37266 0.56640 0.59230 1.00000
Hg16 Hg 0.81271 0.60284 0.86464 1.00000
Hg17 Hg 0.58095 0.42096 0.91181 1.00000
Hg18 Hg 0.94194 0.87867 0.96891 1.00000
