Tl3(CdBi2)2
Alexandria ALEXAlex-ID: agm005659154 · Space group: Cccm (#66)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_520_spg66
TlCdBi Bi Tl2Bi
2023-06-26 20:16:51.237495
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659154).
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 agm005659154
data_agm005659154
_cell_length_a 6.71428
_cell_length_b 9.64978
_cell_length_c 9.64978
_cell_angle_alpha 61.13569
_cell_angle_beta 90.00243
_cell_angle_gamma 90.00244
_cell_volume 547.54874
_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 0.74998 0.16749 0.16759 1.00000
Tl2 Tl 0.75002 0.83241 0.83251 1.00000
Tl3 Tl 0.25002 0.83251 0.83241 1.00000
Tl4 Tl 0.24998 0.16759 0.16749 1.00000
Tl5 Tl 0.25000 0.49999 0.50001 1.00000
Tl6 Tl 0.75000 0.50001 0.49999 1.00000
Cd1 Cd 0.50004 0.15625 0.50282 1.00000
Cd2 Cd 0.99996 0.49718 0.84375 1.00000
Cd3 Cd 0.49996 0.84375 0.49718 1.00000
Cd4 Cd 0.00004 0.50282 0.15625 1.00000
Bi1 Bi 0.49992 0.82880 0.17231 1.00000
Bi2 Bi 0.00008 0.82769 0.17120 1.00000
Bi3 Bi 0.50008 0.17120 0.82769 1.00000
Bi4 Bi 0.99992 0.17231 0.82880 1.00000
Bi5 Bi 0.00009 0.17336 0.49299 1.00000
Bi6 Bi 0.49991 0.50701 0.82664 1.00000
Bi7 Bi 0.99991 0.82664 0.50701 1.00000
Bi8 Bi 0.50009 0.49299 0.17336 1.00000
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