Th2Ag5Hg
Alexandria ALEXAlex-ID: agm005992632 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_146_spg63
Th14Ag51 ThAgHg Ag
2023-08-21 15:43:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005992632).
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 agm005992632
data_agm005992632
_cell_length_a 4.24249
_cell_length_b 9.03865
_cell_length_c 10.02698
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.57310
_cell_volume 373.75926
_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
Th1 Th 0.81318 0.62635 0.75000 1.00000
Th2 Th 0.18682 0.37365 0.25000 1.00000
Th3 Th 0.00000 0.00000 0.00000 1.00000
Th4 Th 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.20486 0.40972 0.89573 1.00000
Ag2 Ag 0.79514 0.59028 0.10427 1.00000
Ag3 Ag 0.20486 0.40972 0.60427 1.00000
Ag4 Ag 0.79514 0.59028 0.39573 1.00000
Ag5 Ag 0.36423 0.72847 0.97279 1.00000
Ag6 Ag 0.63577 0.27153 0.02721 1.00000
Ag7 Ag 0.36423 0.72847 0.52721 1.00000
Ag8 Ag 0.63577 0.27153 0.47279 1.00000
Ag9 Ag 0.62010 0.24019 0.75000 1.00000
Ag10 Ag 0.37990 0.75981 0.25000 1.00000
Hg1 Hg 0.46244 0.92489 0.75000 1.00000
Hg2 Hg 0.53756 0.07511 0.25000 1.00000
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