CsTlIn3
Alexandria ALEXAlex-ID: agm005808771 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4_spg107
Tl6In CsTl11 CsIn3
2023-07-07 17:52:04.345747
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808771).
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 agm005808771
data_agm005808771
_cell_length_a 5.18459
_cell_length_b 5.18511
_cell_length_c 7.46277
_cell_angle_alpha 69.55825
_cell_angle_beta 69.52717
_cell_angle_gamma 89.91130
_cell_volume 174.44218
_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
Cs1 Cs 0.40295 0.20656 0.89926 1.00000
Tl1 Tl 0.01702 0.81986 0.67110 1.00000
In1 In 0.65453 0.95752 0.39743 1.00000
In2 In 0.15346 0.45729 0.39742 1.00000
In3 In 0.77981 0.58397 0.14593 1.00000
