KTe8Ir5
Alexandria ALEXAlex-ID: agm006116062 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_116_spg12
K2Te Te2Ir Ir
2023-08-11 03:49:16.302402
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116062).
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 agm006116062
data_agm006116062
_cell_length_a 4.07991
_cell_length_b 9.13174
_cell_length_c 10.59576
_cell_angle_alpha 104.80702
_cell_angle_beta 101.10021
_cell_angle_gamma 89.99998
_cell_volume 374.00947
_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 0.49942 0.49999 0.99885 1.00000
Te1 Te 0.23950 0.14906 0.47900 1.00000
Te2 Te 0.76057 0.85090 0.52115 1.00000
Te3 Te 0.17850 0.47802 0.35700 1.00000
Te4 Te 0.82159 0.52198 0.64318 1.00000
Te5 Te 0.08958 0.83639 0.17915 1.00000
Te6 Te 0.91050 0.16356 0.82099 1.00000
Te7 Te 0.42903 0.84681 0.85807 1.00000
Te8 Te 0.57108 0.15329 0.14216 1.00000
Ir1 Ir 0.29391 0.68683 0.58781 1.00000
Ir2 Ir 0.70619 0.31314 0.41238 1.00000
Ir3 Ir 0.33978 0.01553 0.67956 1.00000
Ir4 Ir 0.66029 0.98446 0.32058 1.00000
Ir5 Ir 0.00006 0.00004 0.00012 1.00000
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