K4UPa3Te8
Alexandria ALEXAlex-ID: agm004734026 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_70_spg166
K2PaTe3 U2Te K2Pa2Te5 Pa7Te
2023-02-04 13:35:17.062688
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004734026).
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 agm004734026
data_agm004734026
_cell_length_a 8.82107
_cell_length_b 9.90875
_cell_length_c 8.82139
_cell_angle_alpha 116.43812
_cell_angle_beta 119.99882
_cell_angle_gamma 90.00000
_cell_volume 572.74712
_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 0.00000 0.00000 1.00000
K2 K 0.50000 0.00000 0.50000 1.00000
K3 K 0.00000 0.00000 0.00000 1.00000
K4 K 0.00000 0.00000 0.50000 1.00000
U1 U 0.00000 0.50000 0.00000 1.00000
Pa1 Pa 0.50000 0.50000 0.00000 1.00000
Pa2 Pa 0.50000 0.50000 0.50000 1.00000
Pa3 Pa 0.00000 0.50000 0.50000 1.00000
Te1 Te 0.23926 0.71554 0.97630 1.00000
Te2 Te 0.23926 0.71554 0.47852 1.00000
Te3 Te 0.26113 0.28342 0.52227 1.00000
Te4 Te 0.73704 0.71554 0.97630 1.00000
Te5 Te 0.26296 0.28446 0.02370 1.00000
Te6 Te 0.73887 0.71658 0.47773 1.00000
Te7 Te 0.76074 0.28446 0.52148 1.00000
Te8 Te 0.76074 0.28446 0.02370 1.00000
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