HfTlSeS
Alexandria ALEXAlex-ID: agm005198350 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_347_spg1
Hf4TlSe8 Hf4TlS8 Tl
2022-07-10 18:59:40.830411
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005198350).
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 agm005198350
data_agm005198350
_cell_length_a 3.65563
_cell_length_b 3.65459
_cell_length_c 9.05684
_cell_angle_alpha 89.95009
_cell_angle_beta 101.67146
_cell_angle_gamma 119.98722
_cell_volume 101.91452
_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
Hf1 Hf 0.30739 0.55125 0.87420 1.00000
Tl1 Tl 0.97139 0.38490 0.37039 1.00000
Se1 Se 0.51495 0.15540 0.68551 1.00000
S1 S 0.08417 0.93924 0.03956 1.00000
Get direct link