Te7IrI7
Alexandria ALEXAlex-ID: agm008297710 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C7_2_spg2
TeI4 Te6IrI3
2024-12-24 01:02:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008297710).
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 agm008297710
data_agm008297710
_cell_length_a 11.42490
_cell_length_b 12.08006
_cell_length_c 11.43793
_cell_angle_alpha 108.81637
_cell_angle_beta 115.09166
_cell_angle_gamma 95.81580
_cell_volume 1299.96636
_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
Te1 Te 0.99932 0.70371 0.90228 1.00000
Te2 Te 0.00068 0.29629 0.09772 1.00000
Te3 Te 0.22149 0.84757 0.18452 1.00000
Te4 Te 0.77851 0.15243 0.81548 1.00000
Te5 Te 0.13755 0.82200 0.79751 1.00000
Te6 Te 0.86245 0.17800 0.20249 1.00000
Te7 Te 0.32232 0.00062 0.07851 1.00000
Te8 Te 0.67768 0.99938 0.92149 1.00000
Te9 Te 0.03241 0.00641 0.16828 1.00000
Te10 Te 0.96759 0.99359 0.83172 1.00000
Te11 Te 0.72678 0.72269 0.00734 1.00000
Te12 Te 0.27322 0.27731 0.99266 1.00000
Te13 Te 0.65914 0.70939 0.63114 1.00000
Te14 Te 0.34086 0.29061 0.36886 1.00000
Ir1 Ir 0.83620 0.85096 0.90492 1.00000
Ir2 Ir 0.16380 0.14904 0.09508 1.00000
I1 I 0.75744 0.94873 0.26759 1.00000
I2 I 0.24256 0.05127 0.73241 1.00000
I3 I 0.44519 0.71300 0.87990 1.00000
I4 I 0.55481 0.28700 0.12010 1.00000
I5 I 0.67014 0.48317 0.79877 1.00000
I6 I 0.32986 0.51683 0.20123 1.00000
I7 I 0.00605 0.69236 0.21723 1.00000
I8 I 0.99395 0.30764 0.78277 1.00000
I9 I 0.44821 0.83822 0.59427 1.00000
I10 I 0.55179 0.16178 0.40573 1.00000
I11 I 0.71545 0.81588 0.46598 1.00000
I12 I 0.28455 0.18412 0.53402 1.00000
I13 I 0.83975 0.55179 0.57239 1.00000
I14 I 0.16025 0.44821 0.42761 1.00000
