Ac2Al3Hg5
Alexandria ALEXAlex-ID: agm005609313 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_104_spg72
Ac(AlHg)2 AcHg3 Hg
2023-06-13 19:23:58.859239
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609313).
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 agm005609313
data_agm005609313
_cell_length_a 6.66753
_cell_length_b 9.33957
_cell_length_c 9.33956
_cell_angle_alpha 74.23727
_cell_angle_beta 69.08696
_cell_angle_gamma 69.08696
_cell_volume 500.50723
_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 0.12964 0.61279 0.12793 1.00000
Ac2 Ac 0.62964 0.12793 0.61279 1.00000
Ac3 Ac 0.87036 0.38721 0.87207 1.00000
Ac4 Ac 0.37036 0.87207 0.38721 1.00000
Al1 Al 0.37176 0.50462 0.75187 1.00000
Al2 Al 0.87176 0.75187 0.50462 1.00000
Al3 Al 0.62824 0.49538 0.24813 1.00000
Al4 Al 0.12824 0.24813 0.49538 1.00000
Al5 Al 0.25000 0.00000 0.00000 1.00000
Al6 Al 0.75000 0.00000 0.00000 1.00000
Hg1 Hg 0.39211 0.25358 0.96221 1.00000
Hg2 Hg 0.89211 0.96221 0.25358 1.00000
Hg3 Hg 0.60789 0.74642 0.03779 1.00000
Hg4 Hg 0.10789 0.03779 0.74642 1.00000
Hg5 Hg 0.49454 0.75546 0.75546 1.00000
Hg6 Hg 0.50546 0.24454 0.24454 1.00000
Hg7 Hg 0.75000 0.50000 0.50000 1.00000
Hg8 Hg 0.25000 0.50000 0.50000 1.00000
Hg9 Hg 0.00546 0.24454 0.24454 1.00000
Hg10 Hg 0.99454 0.75546 0.75546 1.00000
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