K5Tl6Zn
Alexandria ALEXAlex-ID: agm006136176 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_72_spg12
K8Tl10Zn K KZn13
2023-08-29 11:59:12.824284
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136176).
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 agm006136176
data_agm006136176
_cell_length_a 9.39481
_cell_length_b 7.19551
_cell_length_c 8.84243
_cell_angle_alpha 65.99143
_cell_angle_beta 79.54152
_cell_angle_gamma 63.50364
_cell_volume 488.68324
_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
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
K1 K 0.50000 0.20810 0.58380 1.00000
K2 K 1.00000 0.63703 0.72594 1.00000
K3 K 0.00000 0.36297 0.27406 1.00000
K4 K 0.50000 0.50000 0.00000 1.00000
K5 K 0.50000 0.79190 0.41620 1.00000
Tl1 Tl 0.69528 0.94133 0.00000 1.00000
Tl2 Tl 0.81534 0.96021 0.30333 1.00000
Tl3 Tl 0.18466 0.73645 0.30333 1.00000
Tl4 Tl 0.18466 0.03979 0.69667 1.00000
Tl5 Tl 0.81534 0.26355 0.69667 1.00000
Tl6 Tl 0.30472 0.05867 1.00000 1.00000
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