Tm3(Ag2Hg)2
Alexandria ALEXAlex-ID: agm005686567 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_422_spg15
Tm3Hg5 TmAg2 TmAgHg2
2023-06-26 16:34:24.996697
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686567).
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 agm005686567
data_agm005686567
_cell_length_a 5.25656
_cell_length_b 8.96077
_cell_length_c 8.96077
_cell_angle_alpha 76.54871
_cell_angle_beta 81.67244
_cell_angle_gamma 81.67242
_cell_volume 403.45340
_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
Tm1 Tm 0.07907 0.95663 0.71205 1.00000
Tm2 Tm 0.42093 0.28795 0.04337 1.00000
Tm3 Tm 0.92093 0.04337 0.28795 1.00000
Tm4 Tm 0.57907 0.71205 0.95663 1.00000
Tm5 Tm 0.25000 0.36923 0.63077 1.00000
Tm6 Tm 0.75000 0.63077 0.36923 1.00000
Ag1 Ag 0.52281 0.06376 0.82685 1.00000
Ag2 Ag 0.97719 0.17315 0.93624 1.00000
Ag3 Ag 0.47719 0.93624 0.17315 1.00000
Ag4 Ag 0.02281 0.82685 0.06376 1.00000
Ag5 Ag 0.63293 0.85498 0.59646 1.00000
Ag6 Ag 0.86707 0.40354 0.14502 1.00000
Ag7 Ag 0.36707 0.14502 0.40354 1.00000
Ag8 Ag 0.13293 0.59646 0.85498 1.00000
Hg1 Hg 0.19060 0.74084 0.48779 1.00000
Hg2 Hg 0.30939 0.51221 0.25916 1.00000
Hg3 Hg 0.80940 0.25916 0.51221 1.00000
Hg4 Hg 0.69061 0.48779 0.74084 1.00000
Get direct link