K8TeI4
Alexandria ALEXAlex-ID: agm097948133 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1275_spg1
K2Te K KI
2025-06-16 07:57:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097948133).
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 agm097948133
data_agm097948133
_cell_length_a 5.15143
_cell_length_b 13.77240
_cell_length_c 13.12263
_cell_angle_alpha 122.17541
_cell_angle_beta 89.02609
_cell_angle_gamma 90.91224
_cell_volume 787.89398
_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 0.30058 0.73447 0.18653 1.00000
K2 K 0.31760 0.20815 0.15031 1.00000
K3 K 0.30220 0.31569 0.55603 1.00000
K4 K 0.32168 0.93663 0.80875 1.00000
K5 K 0.80637 0.03586 0.26386 1.00000
K6 K 0.80950 0.62840 0.43764 1.00000
K7 K 0.80900 0.72684 0.90302 1.00000
K8 K 0.79230 0.34708 0.87084 1.00000
Te1 Te 0.30966 0.91408 0.06927 1.00000
I1 I 0.82538 0.14557 0.94156 1.00000
I2 I 0.30001 0.51579 0.86796 1.00000
I3 I 0.81228 0.34119 0.37529 1.00000
I4 I 0.79343 0.15024 0.56893 1.00000
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