Ac6Hg5Au
Alexandria ALEXAlex-ID: agm006106571 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
AcHg AcAu
2023-08-18 19:54:31.508981
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006106571).
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 agm006106571
data_agm006106571
_cell_length_a 5.68690
_cell_length_b 8.05963
_cell_length_c 9.83721
_cell_angle_alpha 114.18202
_cell_angle_beta 106.78914
_cell_angle_gamma 90.00442
_cell_volume 390.14814
_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
Ac1 Ac 0.83758 0.59336 0.67510 1.00000
Ac2 Ac 0.83760 0.08175 0.67510 1.00000
Ac3 Ac 0.49996 0.75914 0.00000 1.00000
Ac4 Ac 0.50004 0.24086 1.00000 1.00000
Ac5 Ac 0.16240 0.91825 0.32490 1.00000
Ac6 Ac 0.16242 0.40664 0.32490 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.67518 0.17506 0.35012 1.00000
Hg2 Hg 0.33323 0.33315 0.66631 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Hg4 Hg 0.66677 0.66685 0.33369 1.00000
Hg5 Hg 0.32482 0.82494 0.64988 1.00000
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