Tl2CdSb2
Alexandria ALEXAlex-ID: agm005890523 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_403_spg12
TlCdSb Sb Tl2Sb
2023-08-05 15:05:49.054055
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005890523).
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 agm005890523
data_agm005890523
_cell_length_a 4.57243
_cell_length_b 6.51445
_cell_length_c 6.49856
_cell_angle_alpha 64.30663
_cell_angle_beta 69.38132
_cell_angle_gamma 69.44575
_cell_volume 158.67719
_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 0.29548 0.20419 0.70452 1.00000
Tl2 Tl 0.70452 0.79581 0.29548 1.00000
Cd1 Cd 0.50000 0.50000 0.00000 1.00000
Sb1 Sb 0.00009 0.22942 0.27019 1.00000
Sb2 Sb 0.99991 0.77059 0.72981 1.00000
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