K13Tl2
Alexandria ALEXAlex-ID: agm003286010 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B13_32_spg2
K10Tl7 K
2022-01-14 13:46:16.530557
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003286010).
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 agm003286010
data_agm003286010
_cell_length_a 8.61939
_cell_length_b 10.26622
_cell_length_c 11.68194
_cell_angle_alpha 113.35452
_cell_angle_beta 89.45735
_cell_angle_gamma 101.68723
_cell_volume 926.46054
_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 0.77003 0.58188 0.97292 1.00000
K2 K 0.22997 0.41812 0.02708 1.00000
K3 K 0.00000 0.00000 0.00000 1.00000
K4 K 0.16605 0.98157 0.65048 1.00000
K5 K 0.83395 0.01843 0.34952 1.00000
K6 K 0.04941 0.44092 0.63945 1.00000
K7 K 0.95059 0.55908 0.36055 1.00000
K8 K 0.48387 0.65659 0.43379 1.00000
K9 K 0.51613 0.34341 0.56621 1.00000
K10 K 0.42757 0.77318 0.86087 1.00000
K11 K 0.57243 0.22682 0.13913 1.00000
K12 K 0.70859 0.08641 0.74166 1.00000
K13 K 0.29141 0.91359 0.25834 1.00000
Tl1 Tl 0.79817 0.71889 0.69209 1.00000
Tl2 Tl 0.20183 0.28111 0.30791 1.00000
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