ScTlHg
Alexandria ALEXAlex-ID: agm003142011 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_30_spg11
Tl ScHg
2015-04-24 00:01:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003142011).
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 agm003142011
data_agm003142011
_cell_length_a 4.60586
_cell_length_b 4.33435
_cell_length_c 7.42016
_cell_angle_alpha 89.99564
_cell_angle_beta 108.10594
_cell_angle_gamma 90.00265
_cell_volume 140.79665
_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
Sc1 Sc 0.90797 0.15737 0.86179 1.00000
Sc2 Sc 0.22465 0.15741 0.49514 1.00000
Tl1 Tl 0.38993 0.65740 0.82579 1.00000
Tl2 Tl 0.57117 0.15717 0.18874 1.00000
Hg1 Hg 0.74514 0.65726 0.53613 1.00000
Hg2 Hg 0.06793 0.65720 0.18258 1.00000
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