Mg(ZnI3)2
Alexandria ALEXAlex-ID: agm005677374 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1810_spg12
ZnI2 MgI2
2023-07-08 17:45:08.999149
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677374).
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 agm005677374
data_agm005677374
_cell_length_a 4.11868
_cell_length_b 8.91133
_cell_length_c 9.91331
_cell_angle_alpha 109.04417
_cell_angle_beta 101.98964
_cell_angle_gamma 90.00000
_cell_volume 335.52499
_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
Mg1 Mg 0.50000 0.00000 0.00000 1.00000
Zn1 Zn 0.83285 0.66426 0.66569 1.00000
Zn2 Zn 0.16715 0.33574 0.33431 1.00000
I1 I 0.33935 0.89579 0.67870 1.00000
I2 I 0.00916 0.23939 0.01831 1.00000
I3 I 0.67551 0.56520 0.35103 1.00000
I4 I 0.99084 0.76061 0.98169 1.00000
I5 I 0.66065 0.10421 0.32130 1.00000
I6 I 0.32449 0.43480 0.64897 1.00000
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