SrZnCl4
Alexandria ALEXAlex-ID: agm005755380 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1184_spg141
ZnCl2 SrCl2
2023-08-05 00:15:53.761596
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755380).
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 agm005755380
data_agm005755380
_cell_length_a 7.77715
_cell_length_b 7.77730
_cell_length_c 7.77722
_cell_angle_alpha 74.11105
_cell_angle_beta 74.11273
_cell_angle_gamma 116.90298
_cell_volume 357.49377
_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 0.62499 0.25004 1.00000
Sr2 Sr 0.12497 0.37497 0.74996 1.00000
Zn1 Zn 0.62498 0.87497 0.75002 1.00000
Zn2 Zn 0.37501 0.12500 0.24998 1.00000
Cl1 Cl 0.25616 0.68965 0.93346 1.00000
Cl2 Cl 0.62304 0.68962 0.56654 1.00000
Cl3 Cl 0.18962 0.12310 0.06654 1.00000
Cl4 Cl 0.74384 0.31035 0.06655 1.00000
Cl5 Cl 0.18958 0.75616 0.43345 1.00000
Cl6 Cl 0.81039 0.87689 0.93346 1.00000
Cl7 Cl 0.37697 0.31037 0.43345 1.00000
Cl8 Cl 0.81042 0.24382 0.56655 1.00000
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