Cs3Tl7Sb4
Alexandria ALEXAlex-ID: agm005704012 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_8_spg12
Cs(TlSb)2 Tl5Sb CsTlSb
2023-07-03 12:52:10.439827
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704012).
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 agm005704012
data_agm005704012
_cell_length_a 10.34360
_cell_length_b 10.34360
_cell_length_c 12.32857
_cell_angle_alpha 56.58226
_cell_angle_beta 56.58226
_cell_angle_gamma 28.96888
_cell_volume 525.43296
_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
Cs1 Cs 0.69669 0.69669 0.80293 1.00000
Cs2 Cs 0.30331 0.30331 0.19707 1.00000
Cs3 Cs 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.68273 0.68273 0.46411 1.00000
Tl2 Tl 0.50041 0.50041 0.19609 1.00000
Tl3 Tl 0.15833 0.15833 0.05641 1.00000
Tl4 Tl 0.31727 0.31727 0.53589 1.00000
Tl5 Tl 0.84167 0.84167 0.94359 1.00000
Tl6 Tl 0.00000 0.00000 0.00000 1.00000
Tl7 Tl 0.49959 0.49959 0.80391 1.00000
Sb1 Sb 0.34773 0.34773 0.78793 1.00000
Sb2 Sb 0.65227 0.65227 0.21207 1.00000
Sb3 Sb 0.12207 0.12207 0.65615 1.00000
Sb4 Sb 0.87793 0.87793 0.34385 1.00000
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