K3Tl3Cd8
Alexandria ALEXAlex-ID: agm003376027 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
K6Tl17 K14(Tl7Cd3)3 K3Cd16
2022-02-09 00:03:00.613453
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003376027).
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 agm003376027
data_agm003376027
_cell_length_a 5.30839
_cell_length_b 9.71226
_cell_length_c 9.71226
_cell_angle_alpha 63.87411
_cell_angle_beta 74.14028
_cell_angle_gamma 74.14028
_cell_volume 425.62157
_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 0.50000 0.50000 0.50000 1.00000
K2 K 0.79822 0.20178 0.20178 1.00000
K3 K 0.20178 0.79822 0.79822 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
Tl2 Tl 0.00000 0.80532 0.19468 1.00000
Tl3 Tl 0.00000 0.19468 0.80532 1.00000
Cd1 Cd 0.64413 0.07327 0.63847 1.00000
Cd2 Cd 0.35587 0.92673 0.36153 1.00000
Cd3 Cd 0.64413 0.63847 0.07327 1.00000
Cd4 Cd 0.35587 0.36153 0.92673 1.00000
Cd5 Cd 0.83228 0.81121 0.52423 1.00000
Cd6 Cd 0.16772 0.18879 0.47577 1.00000
Cd7 Cd 0.83228 0.52423 0.81121 1.00000
Cd8 Cd 0.16772 0.47577 0.18879 1.00000
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