KTl11Cd
Alexandria ALEXAlex-ID: agm005696447 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC11_5_spg12
K6Tl17 KCd11 Tl
2023-06-29 14:59:48.639182
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696447).
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 agm005696447
data_agm005696447
_cell_length_a 6.43745
_cell_length_b 8.61838
_cell_length_c 8.67276
_cell_angle_alpha 82.44626
_cell_angle_beta 68.21465
_cell_angle_gamma 69.25530
_cell_volume 417.83630
_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 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.29531 0.21583 0.20898 1.00000
Tl2 Tl 0.70469 0.78417 0.79102 1.00000
Tl3 Tl 0.49571 0.78417 0.20898 1.00000
Tl4 Tl 0.50429 0.21583 0.79102 1.00000
Tl5 Tl 0.35587 0.64016 0.64591 1.00000
Tl6 Tl 0.64413 0.35984 0.35409 1.00000
Tl7 Tl 0.99822 0.35984 0.64591 1.00000
Tl8 Tl 0.00178 0.64016 0.35409 1.00000
Tl9 Tl 0.00000 0.50000 0.00000 1.00000
Tl10 Tl 0.50000 0.00000 0.50000 1.00000
Tl11 Tl 0.00000 0.00000 0.50000 1.00000
Cd1 Cd 0.50000 0.50000 0.00000 1.00000
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