InHg
Alexandria ALEXAlex-ID: agm007999990 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_1500_spg38
Hg In
2024-05-27 11:53:52.251107
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007999990).
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 agm007999990
data_agm007999990
_cell_length_a 6.89389
_cell_length_b 6.89389
_cell_length_c 4.98732
_cell_angle_alpha 90.01154
_cell_angle_beta 90.01154
_cell_angle_gamma 41.83120
_cell_volume 158.08185
_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 0.36121 0.36121 0.00003 1.00000
In2 In 0.52711 0.52711 0.50001 1.00000
In3 In 0.19512 0.19512 0.49999 1.00000
Hg1 Hg 0.02749 0.02749 0.99983 1.00000
Hg2 Hg 0.69467 0.69467 0.00013 1.00000
Hg3 Hg 0.86107 0.86107 0.50001 1.00000
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