K3Tl8Pd3
Alexandria ALEXAlex-ID: agm003376751 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_0_spg71
KTl2 Tl2Pd3
2022-02-09 00:09:00.561045
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003376751).
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 agm003376751
data_agm003376751
_cell_length_a 5.00565
_cell_length_b 9.54012
_cell_length_c 9.54012
_cell_angle_alpha 74.50364
_cell_angle_beta 74.79060
_cell_angle_gamma 74.79060
_cell_volume 414.49199
_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 0.83752 0.16248 0.16248 1.00000
K3 K 0.16248 0.83752 0.83752 1.00000
Tl1 Tl 0.60886 0.09565 0.68663 1.00000
Tl2 Tl 0.39114 0.90435 0.31337 1.00000
Tl3 Tl 0.60886 0.68663 0.09565 1.00000
Tl4 Tl 0.39114 0.31337 0.90435 1.00000
Tl5 Tl 0.82550 0.81772 0.53127 1.00000
Tl6 Tl 0.17450 0.18228 0.46873 1.00000
Tl7 Tl 0.82550 0.53127 0.81772 1.00000
Tl8 Tl 0.17450 0.46873 0.18228 1.00000
Pd1 Pd 0.50000 0.00000 0.00000 1.00000
Pd2 Pd 0.00000 0.75850 0.24150 1.00000
Pd3 Pd 0.00000 0.24150 0.75850 1.00000
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