Th5(TlCd)3
Alexandria ALEXAlex-ID: agm005682097 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C5_64_spg189
ThTl Th ThCd2
2023-06-24 09:07:37.025355
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682097).
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 agm005682097
data_agm005682097
_cell_length_a 3.35547
_cell_length_b 10.68605
_cell_length_c 10.68599
_cell_angle_alpha 119.99984
_cell_angle_beta 90.03102
_cell_angle_gamma 89.98451
_cell_volume 331.83104
_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
Th1 Th 0.50000 0.66666 0.33332 1.00000
Th2 Th 0.50000 0.33334 0.66666 1.00000
Th3 Th 0.50013 0.35317 0.00002 1.00000
Th4 Th 0.50013 0.64682 0.64684 1.00000
Th5 Th 0.49976 0.00001 0.35316 1.00000
Tl1 Tl 1.00000 0.61727 1.00000 1.00000
Tl2 Tl 0.00000 0.00000 0.61727 1.00000
Tl3 Tl 1.00000 0.38272 0.38272 1.00000
Cd1 Cd 0.49996 0.84663 0.00000 1.00000
Cd2 Cd 0.49996 0.15338 0.15338 1.00000
Cd3 Cd 0.50007 0.00000 0.84663 1.00000
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