Ac6Al2Hg
Alexandria ALEXAlex-ID: agm005707486 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_730_spg71
AcAl2 Ac AcHg
2023-07-06 10:12:45.779591
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707486).
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 agm005707486
data_agm005707486
_cell_length_a 9.54472
_cell_length_b 9.54472
_cell_length_c 9.54472
_cell_angle_alpha 106.58937
_cell_angle_beta 111.68961
_cell_angle_gamma 110.17637
_cell_volume 667.98788
_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 0.55488 0.73262 0.82226 1.00000
Ac2 Ac 0.44512 0.26738 0.17774 1.00000
Ac3 Ac 0.08964 0.26738 0.82226 1.00000
Ac4 Ac 0.91036 0.73262 0.17774 1.00000
Ac5 Ac 0.79981 0.75148 0.55129 1.00000
Ac6 Ac 0.20019 0.24852 0.44871 1.00000
Ac7 Ac 0.20019 0.75148 0.95167 1.00000
Ac8 Ac 0.79981 0.24852 0.04833 1.00000
Ac9 Ac 0.70865 0.38412 0.67547 1.00000
Ac10 Ac 0.29135 0.61588 0.32453 1.00000
Ac11 Ac 0.29135 0.96683 0.67547 1.00000
Ac12 Ac 0.70865 0.03317 0.32453 1.00000
Al1 Al 0.50000 0.38417 0.88417 1.00000
Al2 Al 0.50000 0.61583 0.11583 1.00000
Al3 Al 0.63296 1.00000 0.63296 1.00000
Al4 Al 0.36704 0.00000 0.36704 1.00000
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
Hg2 Hg 0.00000 0.00000 0.00000 1.00000
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