Tm6Te5Ir
Alexandria ALEXAlex-ID: agm014079802 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_30_spg12
Tm6Te5Ir
2024-11-09 05:10:23.978721
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014079802).
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 agm014079802
data_agm014079802
_cell_length_a 7.52598
_cell_length_b 7.52598
_cell_length_c 7.48571
_cell_angle_alpha 80.27195
_cell_angle_beta 80.27195
_cell_angle_gamma 119.94844
_cell_volume 345.79975
_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
Tm1 Tm 0.07089 0.36281 0.78049 1.00000
Tm2 Tm 0.63719 0.92911 0.21951 1.00000
Tm3 Tm 0.21181 0.21181 0.22887 1.00000
Tm4 Tm 0.78819 0.78819 0.77113 1.00000
Tm5 Tm 0.36281 0.07089 0.78049 1.00000
Tm6 Tm 0.92911 0.63719 0.21951 1.00000
Te1 Te 0.18085 0.81915 0.50000 1.00000
Te2 Te 0.33644 0.66356 0.00000 1.00000
Te3 Te 0.50000 0.50000 0.50000 1.00000
Te4 Te 0.66356 0.33644 0.00000 1.00000
Te5 Te 0.81915 0.18085 0.50000 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
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