CoTe6Ir
Alexandria ALEXAlex-ID: agm005802298 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_89_spg12
Te8Ir3 CoTe2 Te
2023-07-24 18:52:34.835409
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802298).
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 agm005802298
data_agm005802298
_cell_length_a 8.31813
_cell_length_b 8.31813
_cell_length_c 8.21198
_cell_angle_alpha 109.57512
_cell_angle_beta 109.60961
_cell_angle_gamma 109.74937
_cell_volume 434.56610
_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
Co1 Co 0.00000 0.00000 0.50000 1.00000
Co2 Co 0.50000 0.50000 0.50000 1.00000
Te1 Te 0.15376 0.66428 0.81804 1.00000
Te2 Te 0.84624 0.33572 0.18196 1.00000
Te3 Te 0.83857 0.68684 0.52541 1.00000
Te4 Te 0.16143 0.31316 0.47459 1.00000
Te5 Te 0.83233 0.15076 0.66498 1.00000
Te6 Te 0.16767 0.84924 0.33502 1.00000
Te7 Te 0.51422 0.83265 0.66498 1.00000
Te8 Te 0.48578 0.16735 0.33502 1.00000
Te9 Te 0.68040 0.83282 0.16354 1.00000
Te10 Te 0.31960 0.16718 0.83646 1.00000
Te11 Te 0.66928 0.51685 0.83646 1.00000
Te12 Te 0.33072 0.48315 0.16354 1.00000
Ir1 Ir 0.00000 0.50000 0.00000 1.00000
Ir2 Ir 0.50000 0.00000 0.00000 1.00000
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