Tm6Si2Hg
Alexandria ALEXAlex-ID: agm005696507 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_160_spg71
Tm2Hg Tm5Si3 Tm
2023-07-09 13:45:31.243484
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696507).
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 agm005696507
data_agm005696507
_cell_length_a 8.35409
_cell_length_b 8.35409
_cell_length_c 8.35409
_cell_angle_alpha 105.76940
_cell_angle_beta 111.45517
_cell_angle_gamma 111.25138
_cell_volume 447.42911
_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 0.45419 0.27274 0.18145 1.00000
Tm2 Tm 0.54581 0.72726 0.81855 1.00000
Tm3 Tm 0.90871 0.72726 0.18145 1.00000
Tm4 Tm 0.09129 0.27274 0.81855 1.00000
Tm5 Tm 0.20017 0.75336 0.95352 1.00000
Tm6 Tm 0.79983 0.24664 0.04648 1.00000
Tm7 Tm 0.79983 0.75336 0.55319 1.00000
Tm8 Tm 0.20017 0.24664 0.44681 1.00000
Tm9 Tm 0.29588 0.97269 0.67682 1.00000
Tm10 Tm 0.70412 0.02731 0.32318 1.00000
Tm11 Tm 0.70412 0.38094 0.67682 1.00000
Tm12 Tm 0.29588 0.61906 0.32318 1.00000
Si1 Si 0.50000 0.38142 0.88142 1.00000
Si2 Si 0.50000 0.61858 0.11858 1.00000
Si3 Si 0.36014 0.00000 0.36014 1.00000
Si4 Si 0.63986 1.00000 0.63986 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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