Tb6Tl5H
Alexandria ALEXAlex-ID: agm003676735 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_54_spg12
Tb5Tl4 Tb2TlH2 TbTl
2022-04-09 21:48:17.957575
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676735).
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 agm003676735
data_agm003676735
_cell_length_a 9.26468
_cell_length_b 6.64317
_cell_length_c 6.51789
_cell_angle_alpha 59.36212
_cell_angle_beta 84.92503
_cell_angle_gamma 80.00385
_cell_volume 339.91654
_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
Tb1 Tb 0.73899 0.10777 0.34610 1.00000
Tb2 Tb 0.26101 0.54614 0.34610 1.00000
Tb3 Tb 0.16262 0.19865 0.00000 1.00000
Tb4 Tb 0.83738 0.80135 1.00000 1.00000
Tb5 Tb 0.73899 0.45386 0.65390 1.00000
Tb6 Tb 0.26101 0.89223 0.65390 1.00000
Tl1 Tl 0.50000 0.13858 0.72285 1.00000
Tl2 Tl 0.00000 0.28855 0.42289 1.00000
Tl3 Tl 0.50000 0.50000 0.00000 1.00000
Tl4 Tl 1.00000 0.71145 0.57711 1.00000
Tl5 Tl 0.50000 0.86142 0.27715 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
Get direct link