KUTe3Pb
Alexandria ALEXAlex-ID: agm005036749 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_373_spg11
K3U2Te6Pb UTe2 Pb TePb
2022-07-05 23:59:07.822679
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005036749).
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 agm005036749
data_agm005036749
_cell_length_a 4.54046
_cell_length_b 9.69684
_cell_length_c 10.88160
_cell_angle_alpha 103.87755
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 465.11167
_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 0.75000 0.81653 0.78694 1.00000
K2 K 0.25000 0.18347 0.21306 1.00000
U1 U 0.25000 0.64556 0.15627 1.00000
U2 U 0.75000 0.35444 0.84373 1.00000
Te1 Te 0.25000 0.65235 0.44541 1.00000
Te2 Te 0.75000 0.87840 0.16510 1.00000
Te3 Te 0.75000 0.42232 0.13684 1.00000
Te4 Te 0.75000 0.34765 0.55459 1.00000
Te5 Te 0.25000 0.57768 0.86316 1.00000
Te6 Te 0.25000 0.12160 0.83490 1.00000
Pb1 Pb 0.25000 0.14042 0.56008 1.00000
Pb2 Pb 0.75000 0.85958 0.43992 1.00000
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