TlTc
Alexandria ALEXAlex-ID: agm005446331 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_1559_spg8
Tc Tl
2023-03-22 00:56:23.248672
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005446331).
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
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# CIF generated by HEAS from Alexandria entry agm005446331
data_agm005446331
_cell_length_a 6.08796
_cell_length_b 6.08796
_cell_length_c 6.95658
_cell_angle_alpha 90.23730
_cell_angle_beta 90.23730
_cell_angle_gamma 28.68096
_cell_volume 123.74142
_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 0.04113 0.04113 0.94123 1.00000
Tl2 Tl 0.01766 0.01766 0.39721 1.00000
Tl3 Tl 0.78481 0.78481 0.04968 1.00000
Tc1 Tc 0.67723 0.67723 0.66802 1.00000
Tc2 Tc 0.27565 0.27565 0.41245 1.00000
Tc3 Tc 0.37019 0.37019 0.69807 1.00000
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