Tb6TlIn5
Alexandria ALEXAlex-ID: agm077617488 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Tb4TlIn3 TbIn
2025-01-09 15:34:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077617488).
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 agm077617488
data_agm077617488
_cell_length_a 9.29246
_cell_length_b 9.29246
_cell_length_c 9.29246
_cell_angle_alpha 146.37808
_cell_angle_beta 132.61412
_cell_angle_gamma 59.35170
_cell_volume 324.08606
_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 0.91735 0.16696 0.75039 1.00000
Tb2 Tb 0.08265 0.83304 0.24961 1.00000
Tb3 Tb 0.41656 0.16696 0.24961 1.00000
Tb4 Tb 0.58344 0.83304 0.75039 1.00000
Tb5 Tb 0.24921 0.50000 0.74921 1.00000
Tb6 Tb 0.75079 0.50000 0.25079 1.00000
Tl1 Tl 0.50000 0.00000 0.50000 1.00000
In1 In 0.83338 0.33338 0.50000 1.00000
In2 In 0.16662 0.66662 0.50000 1.00000
In3 In 0.33316 0.33316 0.00000 1.00000
In4 In 0.66684 0.66684 0.00000 1.00000
In5 In 0.00000 0.00000 0.00000 1.00000
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