Tm3Al2Hg3
Alexandria ALEXAlex-ID: agm005580366 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
TmAlHg TmHg
2023-06-05 09:47:31.076310
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005580366).
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 agm005580366
data_agm005580366
_cell_length_a 4.50891
_cell_length_b 5.94181
_cell_length_c 14.91965
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 112.29790
_cell_volume 369.82418
_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 0.91907 0.83815 0.38810 1.00000
Tm2 Tm 0.08093 0.16185 0.88810 1.00000
Tm3 Tm 0.91907 0.83815 0.11190 1.00000
Tm4 Tm 0.08093 0.16185 0.61190 1.00000
Tm5 Tm 0.63915 0.27829 0.25000 1.00000
Tm6 Tm 0.36085 0.72171 0.75000 1.00000
Al1 Al 0.79257 0.58513 0.89079 1.00000
Al2 Al 0.20743 0.41487 0.39079 1.00000
Al3 Al 0.79257 0.58513 0.60921 1.00000
Al4 Al 0.20743 0.41487 0.10921 1.00000
Hg1 Hg 0.62320 0.24639 0.46287 1.00000
Hg2 Hg 0.37680 0.75361 0.96287 1.00000
Hg3 Hg 0.62320 0.24639 0.03713 1.00000
Hg4 Hg 0.37680 0.75361 0.53713 1.00000
Hg5 Hg 0.36320 0.72640 0.25000 1.00000
Hg6 Hg 0.63680 0.27360 0.75000 1.00000
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