Cu4Hg3
Alexandria ALEXAlex-ID: agm005488155 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_122_spg139
Hg Cu
2023-03-18 00:18:07.209552
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005488155).
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 agm005488155
data_agm005488155
_cell_length_a 11.82772
_cell_length_b 11.82772
_cell_length_c 11.82772
_cell_angle_alpha 164.68608
_cell_angle_beta 164.68608
_cell_angle_gamma 21.72261
_cell_volume 115.39673
_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
Cu1 Cu 0.87592 0.87592 0.00000 1.00000
Cu2 Cu 0.57278 0.57278 0.00000 1.00000
Cu3 Cu 0.42722 0.42722 0.00000 1.00000
Cu4 Cu 0.12408 0.12408 0.00000 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Hg2 Hg 0.69832 0.69832 0.00000 1.00000
Hg3 Hg 0.30168 0.30168 0.00000 1.00000
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