Ac(MgHg3)2
Alexandria ALEXAlex-ID: agm005642396 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1775_spg2
MgHg AcHg3 Hg
2023-07-08 15:55:07.834725
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642396).
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 agm005642396
data_agm005642396
_cell_length_a 3.82187
_cell_length_b 10.52259
_cell_length_c 7.45436
_cell_angle_alpha 53.39500
_cell_angle_beta 75.14626
_cell_angle_gamma 79.53732
_cell_volume 232.45513
_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 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.85979 0.52172 0.75870 1.00000
Mg2 Mg 0.14021 0.47828 0.24130 1.00000
Hg1 Hg 0.68524 0.11100 0.51853 1.00000
Hg2 Hg 0.31476 0.88900 0.48147 1.00000
Hg3 Hg 0.31392 0.26373 0.10841 1.00000
Hg4 Hg 0.49225 0.66964 0.34585 1.00000
Hg5 Hg 0.50775 0.33036 0.65415 1.00000
Hg6 Hg 0.68608 0.73627 0.89159 1.00000
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