K2UTe4Pb
Alexandria ALEXAlex-ID: agm045992680 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
K3U(Te3Pb)2 K3U2Te6Pb
2025-01-21 00:47:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045992680).
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 agm045992680
data_agm045992680
_cell_length_a 9.48457
_cell_length_b 9.48457
_cell_length_c 9.48457
_cell_angle_alpha 121.22271
_cell_angle_beta 118.59044
_cell_angle_gamma 90.17696
_cell_volume 603.75869
_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 0.50000 0.00000 0.00000 1.00000
K3 K 0.50000 0.50000 0.00000 1.00000
K4 K 0.00000 0.50000 0.50000 1.00000
U1 U 0.00000 0.00000 0.50000 1.00000
U2 U 0.00000 0.50000 0.00000 1.00000
Te1 Te 0.22133 0.75628 0.46505 1.00000
Te2 Te 0.79123 0.75628 0.03495 1.00000
Te3 Te 0.20877 0.24372 0.96505 1.00000
Te4 Te 0.77867 0.24372 0.53495 1.00000
Te5 Te 0.22747 0.21404 0.48657 1.00000
Te6 Te 0.22747 0.74090 0.01343 1.00000
Te7 Te 0.77253 0.25910 0.98657 1.00000
Te8 Te 0.77253 0.78596 0.51343 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Pb2 Pb 0.50000 0.00000 0.50000 1.00000
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