TmThHg4
Alexandria ALEXAlex-ID: agm005778461 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1592_spg12
ThHg3 Tm3Hg5 ThHg2
2023-07-31 14:28:05.072503
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778461).
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 agm005778461
data_agm005778461
_cell_length_a 3.51123
_cell_length_b 6.36024
_cell_length_c 8.22755
_cell_angle_alpha 113.46587
_cell_angle_beta 77.67936
_cell_angle_gamma 73.97662
_cell_volume 150.71164
_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 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
Hg1 Hg 0.82018 0.51213 0.84751 1.00000
Hg2 Hg 0.34935 0.97855 0.32276 1.00000
Hg3 Hg 0.17982 0.48787 0.15249 1.00000
Hg4 Hg 0.65065 0.02145 0.67724 1.00000
