Cu7Hg5
Alexandria ALEXAlex-ID: agm005509526 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_54_spg107
Hg Cu
2023-04-04 23:22:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005509526).
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
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# CIF generated by HEAS from Alexandria entry agm005509526
data_agm005509526
_cell_length_a 6.61712
_cell_length_b 6.61712
_cell_length_c 6.61712
_cell_angle_alpha 108.87611
_cell_angle_beta 108.87611
_cell_angle_gamma 110.66816
_cell_volume 222.96806
_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
Hg1 Hg 0.15937 0.15937 0.00000 1.00000
Hg2 Hg 0.70163 0.20006 0.00000 1.00000
Hg3 Hg 0.20006 0.70163 0.00000 1.00000
Hg4 Hg 0.70163 0.70163 0.50157 1.00000
Hg5 Hg 0.20006 0.20006 0.49843 1.00000
Cu1 Cu 0.51487 0.51487 0.00000 1.00000
Cu2 Cu 0.45015 0.95015 0.50000 1.00000
Cu3 Cu 0.95015 0.45015 0.50000 1.00000
Cu4 Cu 0.70552 0.97078 0.26526 1.00000
Cu5 Cu 0.70552 0.44026 0.73474 1.00000
Cu6 Cu 0.44026 0.70552 0.73474 1.00000
Cu7 Cu 0.97078 0.70552 0.26526 1.00000
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