Cs2Sr(TlI3)2
Alexandria ALEXAlex-ID: agm075656743 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_25_spg12
Cs4SrI6 CsSrI3 Sr(Tl3I4)2
2025-01-10 05:19:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075656743).
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 agm075656743
data_agm075656743
_cell_length_a 8.72040
_cell_length_b 8.72040
_cell_length_c 9.37956
_cell_angle_alpha 80.61521
_cell_angle_beta 99.38479
_cell_angle_gamma 62.09319
_cell_volume 597.99031
_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 0.82298 0.82298 0.00000 1.00000
Cs2 Cs 0.17702 0.17702 0.00000 1.00000
Sr1 Sr 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.66357 0.66357 0.50000 1.00000
Tl2 Tl 0.33643 0.33643 0.50000 1.00000
I1 I 0.61552 0.06589 0.28977 1.00000
I2 I 0.38448 0.93411 0.71023 1.00000
I3 I 0.06589 0.61552 0.71023 1.00000
I4 I 0.93411 0.38448 0.28977 1.00000
I5 I 0.77168 0.22832 0.71529 1.00000
I6 I 0.22832 0.77168 0.28471 1.00000
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