K2Tl3In
Alexandria ALEXAlex-ID: agm005685969 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_881_spg15
K8Tl11 K17In41 KTl2
2023-08-18 23:18:38.722529
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685969).
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 agm005685969
data_agm005685969
_cell_length_a 7.08298
_cell_length_b 8.62693
_cell_length_c 7.85799
_cell_angle_alpha 103.16899
_cell_angle_beta 90.00000
_cell_angle_gamma 114.23727
_cell_volume 423.94700
_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
K1 K 0.31614 0.63409 0.40847 1.00000
K2 K 0.31795 0.63409 0.90847 1.00000
K3 K 0.68205 0.36591 0.09153 1.00000
K4 K 0.68386 0.36591 0.59153 1.00000
Tl1 Tl 0.71566 1.00000 0.75000 1.00000
Tl2 Tl 0.28434 0.00000 0.25000 1.00000
Tl3 Tl 0.88686 0.77275 0.94319 1.00000
Tl4 Tl 0.11411 0.22725 0.55681 1.00000
Tl5 Tl 0.88589 0.77275 0.44319 1.00000
Tl6 Tl 0.11314 0.22725 0.05681 1.00000
In1 In 0.73999 1.00000 0.25000 1.00000
In2 In 0.26001 0.00000 0.75000 1.00000
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