K6TlPt2
Alexandria ALEXAlex-ID: agm097766734 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_52_spg2
K10Tl7 K KPt2
2025-04-08 13:29:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097766734).
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
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# CIF generated by HEAS from Alexandria entry agm097766734
data_agm097766734
_cell_length_a 6.28436
_cell_length_b 6.28910
_cell_length_c 8.64540
_cell_angle_alpha 96.31391
_cell_angle_beta 96.21823
_cell_angle_gamma 93.09103
_cell_volume 336.87129
_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 0.49037 0.03060 0.07132 1.00000
K2 K 0.96849 0.51091 0.53948 1.00000
K3 K 0.33898 0.02224 0.51625 1.00000
K4 K 0.51078 0.48908 0.30542 1.00000
K5 K 0.91000 0.09150 0.80543 1.00000
K6 K 0.97748 0.66160 0.09416 1.00000
Tl1 Tl 0.46809 0.52644 0.80748 1.00000
Pt1 Pt 0.02158 0.18696 0.21085 1.00000
Pt2 Pt 0.81422 0.98067 0.39961 1.00000
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