SrZnI4
Alexandria ALEXAlex-ID: agm005793043 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_19_spg141
ZnI2 SrI2
2023-08-05 05:10:57.611467
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005793043).
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 agm005793043
data_agm005793043
_cell_length_a 8.90012
_cell_length_b 8.89994
_cell_length_c 8.89952
_cell_angle_alpha 74.34585
_cell_angle_beta 74.34473
_cell_angle_gamma 117.41182
_cell_volume 534.71897
_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
Sr1 Sr 0.87500 0.62500 0.25001 1.00000
Sr2 Sr 0.12500 0.37499 0.74999 1.00000
Zn1 Zn 0.62498 0.87498 0.75002 1.00000
Zn2 Zn 0.37502 0.12500 0.24998 1.00000
I1 I 0.25256 0.68634 0.93377 1.00000
I2 I 0.62008 0.68634 0.56622 1.00000
I3 I 0.18633 0.12011 0.06624 1.00000
I4 I 0.74744 0.31365 0.06624 1.00000
I5 I 0.18629 0.75256 0.43379 1.00000
I6 I 0.81367 0.87987 0.93376 1.00000
I7 I 0.37992 0.31364 0.43378 1.00000
I8 I 0.81371 0.24742 0.56621 1.00000
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