InHg(H4Au)2
Alexandria ALEXAlex-ID: agm007611096 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1187_spg12
InAu2 HgH4 InAu H6Au
2024-08-14 08:49:21.551217
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007611096).
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 agm007611096
data_agm007611096
_cell_length_a 4.51938
_cell_length_b 5.02003
_cell_length_c 7.99956
_cell_angle_alpha 81.18388
_cell_angle_beta 105.35513
_cell_angle_gamma 117.49085
_cell_volume 155.14737
_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 0.50000 0.50000 0.50000 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
H1 H 0.02679 0.30283 0.41277 1.00000
H2 H 0.82083 0.16999 0.09271 1.00000
H3 H 0.97321 0.69717 0.58723 1.00000
H4 H 0.73951 0.56917 0.19223 1.00000
H5 H 0.26049 0.43083 0.80777 1.00000
H6 H 0.47445 0.85036 0.32168 1.00000
H7 H 0.52555 0.14964 0.67832 1.00000
H8 H 0.17917 0.83001 0.90729 1.00000
Au1 Au 0.63024 0.21640 0.25817 1.00000
Au2 Au 0.36976 0.78360 0.74183 1.00000
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