K3U(SnTe3)2
Alexandria ALEXAlex-ID: agm034340058 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_251_spg12
K3U(SnTe3)2
2025-02-27 10:01:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034340058).
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 agm034340058
data_agm034340058
_cell_length_a 10.66653
_cell_length_b 10.66653
_cell_length_c 9.87063
_cell_angle_alpha 74.24604
_cell_angle_beta 105.75396
_cell_angle_gamma 155.44833
_cell_volume 448.25826
_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 0.82774 0.17226 0.16538 1.00000
K3 K 0.17226 0.82774 0.83462 1.00000
U1 U 0.50000 0.50000 0.00000 1.00000
Sn1 Sn 0.82899 0.17101 0.65343 1.00000
Sn2 Sn 0.17101 0.82899 0.34657 1.00000
Te1 Te 0.35206 0.64794 0.90611 1.00000
Te2 Te 0.67372 0.32628 0.56325 1.00000
Te3 Te 0.64794 0.35206 0.09389 1.00000
Te4 Te 0.00609 0.99391 0.21302 1.00000
Te5 Te 0.99391 0.00609 0.78698 1.00000
Te6 Te 0.32628 0.67372 0.43675 1.00000
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