CsSrMnI6
Alexandria ALEXAlex-ID: agm005100178 · Space group: P312 (#149)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
CsI4 Cs2MnI4 SrI2 MnI2
2022-12-16 20:49:06.917160
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005100178).
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 agm005100178
data_agm005100178
_cell_length_a 8.04135
_cell_length_b 8.04133
_cell_length_c 8.42586
_cell_angle_alpha 90.01111
_cell_angle_beta 89.98830
_cell_angle_gamma 59.97458
_cell_volume 471.72648
_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 0.99999 0.00002 0.99998 1.00000
Sr1 Sr 0.66657 0.66660 0.49999 1.00000
Mn1 Mn 0.33331 0.33335 0.49999 1.00000
I1 I 0.04407 0.34787 0.30130 1.00000
I2 I 0.34784 0.04410 0.69868 1.00000
I3 I 0.60799 0.34797 0.69868 1.00000
I4 I 0.04393 0.60816 0.69851 1.00000
I5 I 0.34794 0.60802 0.30130 1.00000
I6 I 0.60813 0.04396 0.30148 1.00000
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