K4TaTe5
Alexandria ALEXAlex-ID: agm003660180 · Space group: I4 (#79)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
K3TaTe4 KTe
2022-04-06 17:17:36.306359
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003660180).
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
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# CIF generated by HEAS from Alexandria entry agm003660180
data_agm003660180
_cell_length_a 7.13946
_cell_length_b 8.39909
_cell_length_c 8.39909
_cell_angle_alpha 79.59314
_cell_angle_beta 64.84846
_cell_angle_gamma 64.84846
_cell_volume 412.67291
_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 0.40974 0.38865 0.78305 1.00000
K2 K 0.79840 0.78305 0.61135 1.00000
K3 K 0.19279 0.21695 0.38865 1.00000
K4 K 0.58145 0.61135 0.21695 1.00000
Ta1 Ta 0.09343 0.00000 0.00000 1.00000
Te1 Te 0.91505 0.31414 0.84287 1.00000
Te2 Te 0.22919 0.84287 0.68586 1.00000
Te3 Te 0.75792 0.15713 0.31414 1.00000
Te4 Te 0.07206 0.68586 0.15713 1.00000
Te5 Te 0.46027 1.00000 1.00000 1.00000
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