K3PmTh3Te8
Alexandria ALEXAlex-ID: agm004700537 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D8_25_spg166
K2ThTe3 Th7Te12 KPmTe2 ThTe
2023-02-08 17:04:09.568656
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004700537).
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 agm004700537
data_agm004700537
_cell_length_a 8.96099
_cell_length_b 8.95806
_cell_length_c 9.96230
_cell_angle_alpha 116.70432
_cell_angle_beta 89.99933
_cell_angle_gamma 120.00958
_cell_volume 591.95057
_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 0.00000 0.00000 0.00000 1.00000
K2 K 0.00000 0.50000 0.00000 1.00000
K3 K 0.50000 0.50000 0.00000 1.00000
Pm1 Pm 0.00000 0.00000 0.50000 1.00000
Th1 Th 0.50000 0.00000 0.50000 1.00000
Th2 Th 0.50000 0.50000 0.50000 1.00000
Th3 Th 0.00000 0.50000 0.50000 1.00000
Te1 Te 0.26004 0.52007 0.28026 1.00000
Te2 Te 0.73996 0.47993 0.71974 1.00000
Te3 Te 0.75957 0.51915 0.28455 1.00000
Te4 Te 0.24043 0.48085 0.71545 1.00000
Te5 Te 0.75962 0.02482 0.28451 1.00000
Te6 Te 0.24038 0.97518 0.71549 1.00000
Te7 Te 0.26521 0.02483 0.28451 1.00000
Te8 Te 0.73479 0.97517 0.71549 1.00000
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