CsSrI2Br
Alexandria ALEXAlex-ID: agm040537090 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_4_spg108
Cs4SrI6 CsSrI3 SrBr2
2025-03-14 11:05:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040537090).
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 agm040537090
data_agm040537090
_cell_length_a 8.77109
_cell_length_b 8.77109
_cell_length_c 8.87723
_cell_angle_alpha 59.54267
_cell_angle_beta 120.45733
_cell_angle_gamma 116.00736
_cell_volume 492.08616
_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 0.70979 0.70979 0.25000 1.00000
Cs2 Cs 0.29021 0.29021 0.75000 1.00000
Sr1 Sr 0.00000 0.50000 0.00000 1.00000
Sr2 Sr 0.50000 0.00000 0.50000 1.00000
I1 I 0.82400 0.26456 0.73158 1.00000
I2 I 0.73544 0.17600 0.23158 1.00000
I3 I 0.17600 0.73544 0.26842 1.00000
I4 I 0.26456 0.82400 0.76842 1.00000
Br1 Br 0.31238 0.31238 0.25000 1.00000
Br2 Br 0.68762 0.68762 0.75000 1.00000
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