Cs2Tl5In4
Alexandria ALEXAlex-ID: agm003365063 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_149_spg12
CsTl11 CsTl3 CsIn3
2022-02-05 06:20:18.416577
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003365063).
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 agm003365063
data_agm003365063
_cell_length_a 7.35390
_cell_length_b 8.41775
_cell_length_c 8.21514
_cell_angle_alpha 78.67787
_cell_angle_beta 63.41137
_cell_angle_gamma 64.09956
_cell_volume 409.08312
_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 0.31387 0.75264 0.61962 1.00000
Cs2 Cs 0.68613 0.24736 0.38038 1.00000
Tl1 Tl 0.21361 0.18405 0.85984 1.00000
Tl2 Tl 0.78639 0.81595 0.14016 1.00000
Tl3 Tl 0.00000 0.50000 0.50000 1.00000
Tl4 Tl 0.74250 0.18405 0.85984 1.00000
Tl5 Tl 0.25750 0.81595 0.14016 1.00000
In1 In 0.31194 0.12083 0.25528 1.00000
In2 In 0.68806 0.87917 0.74472 1.00000
In3 In 0.76501 0.52825 0.94174 1.00000
In4 In 0.23499 0.47175 0.05826 1.00000
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