Ac(AgHg3)2
Alexandria ALEXAlex-ID: agm097155334 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6236_spg6
AcHg3 Hg Ag
2025-04-06 16:25:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097155334).
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 agm097155334
data_agm097155334
_cell_length_a 5.24715
_cell_length_b 5.94712
_cell_length_c 7.49943
_cell_angle_alpha 96.18426
_cell_angle_beta 89.92605
_cell_angle_gamma 90.77957
_cell_volume 232.63972
_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 0.44541 0.23187 0.12691 1.00000
Ag1 Ag 0.93834 0.87795 0.04632 1.00000
Ag2 Ag 0.94632 0.08663 0.40776 1.00000
Hg1 Hg 0.43739 0.69584 0.89285 1.00000
Hg2 Hg 0.44669 0.25898 0.60477 1.00000
Hg3 Hg 0.94940 0.53465 0.28707 1.00000
Hg4 Hg 0.94121 0.74836 0.66619 1.00000
Hg5 Hg 0.44926 0.78328 0.38868 1.00000
Hg6 Hg 0.94598 0.28244 0.82944 1.00000
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