Th3(Tl2Cd)2
Alexandria ALEXAlex-ID: agm005603225 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_272_spg12
Th2Tl5Cd ThTl ThCd2
2023-06-26 20:13:22.145532
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603225).
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 agm005603225
data_agm005603225
_cell_length_a 5.08768
_cell_length_b 6.30835
_cell_length_c 9.56263
_cell_angle_alpha 115.03596
_cell_angle_beta 90.00001
_cell_angle_gamma 113.78149
_cell_volume 249.01513
_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 0.66053 0.32106 0.66988 1.00000
Th2 Th 0.00000 0.00000 0.00000 1.00000
Th3 Th 0.33947 0.67894 0.33012 1.00000
Tl1 Tl 0.68940 0.37880 0.02855 1.00000
Tl2 Tl 0.31060 0.62120 0.97145 1.00000
Tl3 Tl 0.94811 0.89622 0.62188 1.00000
Tl4 Tl 0.05189 0.10378 0.37812 1.00000
Cd1 Cd 0.64192 0.28385 0.30678 1.00000
Cd2 Cd 0.35808 0.71615 0.69322 1.00000
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