Cs3Tl7Rh2
Alexandria ALEXAlex-ID: agm027174331 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
CsTl2 CsTl3 Rh
2025-05-17 10:32:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm027174331).
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
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# CIF generated by HEAS from Alexandria entry agm027174331
data_agm027174331
_cell_length_a 9.77806
_cell_length_b 9.77806
_cell_length_c 9.77806
_cell_angle_alpha 45.13543
_cell_angle_beta 45.13543
_cell_angle_gamma 45.13543
_cell_volume 427.59104
_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 0.00000 0.00000 0.00000 1.00000
Cs2 Cs 0.15376 0.15376 0.15376 1.00000
Cs3 Cs 0.84624 0.84624 0.84624 1.00000
Tl1 Tl 0.50000 0.50000 0.50000 1.00000
Tl2 Tl 0.10039 0.54519 0.54519 1.00000
Tl3 Tl 0.54519 0.54519 0.10039 1.00000
Tl4 Tl 0.54519 0.10039 0.54519 1.00000
Tl5 Tl 0.89961 0.45481 0.45481 1.00000
Tl6 Tl 0.45481 0.89961 0.45481 1.00000
Tl7 Tl 0.45481 0.45481 0.89961 1.00000
Rh1 Rh 0.31643 0.31643 0.31643 1.00000
Rh2 Rh 0.68357 0.68357 0.68357 1.00000
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