Te3Ir4
Alexandria ALEXAlex-ID: agm005488331 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_129_spg139
Te2Ir Ir
2023-03-18 03:01:14.083473
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005488331).
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 agm005488331
data_agm005488331
_cell_length_a 11.85846
_cell_length_b 11.85846
_cell_length_c 11.85846
_cell_angle_alpha 162.74050
_cell_angle_beta 162.74050
_cell_angle_gamma 24.50272
_cell_volume 146.75880
_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 0.00000 0.00000 0.00000 1.00000
Te2 Te 0.67095 0.67095 0.00000 1.00000
Te3 Te 0.32905 0.32905 0.00000 1.00000
Ir1 Ir 0.87781 0.87781 0.00000 1.00000
Ir2 Ir 0.12219 0.12219 0.00000 1.00000
Ir3 Ir 0.55943 0.55943 0.00000 1.00000
Ir4 Ir 0.44057 0.44057 0.00000 1.00000
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