Tl2Re2Tc
Alexandria ALEXAlex-ID: agm005408837 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_106_spg139
Re4Tc ReTc Tl
2023-03-17 21:46:16.341968
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005408837).
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 agm005408837
data_agm005408837
_cell_length_a 8.68870
_cell_length_b 8.68870
_cell_length_c 8.68870
_cell_angle_alpha 156.59467
_cell_angle_beta 156.59467
_cell_angle_gamma 33.33881
_cell_volume 103.40850
_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
Tl1 Tl 0.60020 0.60020 0.00000 1.00000
Tl2 Tl 0.39980 0.39980 0.00000 1.00000
Re1 Re 0.25000 0.75000 0.50000 1.00000
Re2 Re 0.75000 0.25000 0.50000 1.00000
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
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