Ga2Sn4I9
Alexandria ALEXAlex-ID: agm005641863 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_0_spg9
Ga2SnI6 SnI2 Ga
2023-06-16 22:25:02.266649
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641863).
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 agm005641863
data_agm005641863
_cell_length_a 7.84115
_cell_length_b 7.99149
_cell_length_c 23.49110
_cell_angle_alpha 91.76542
_cell_angle_beta 89.96194
_cell_angle_gamma 60.63517
_cell_volume 1282.05898
_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
Ga1 Ga 0.00588 0.99439 0.33709 1.00000
Ga2 Ga 0.00015 0.00578 0.16293 1.00000
Ga3 Ga 0.99412 0.00561 0.66291 1.00000
Ga4 Ga 0.99985 0.99422 0.83707 1.00000
Sn1 Sn 0.33669 0.33038 0.99465 1.00000
Sn2 Sn 0.33284 0.33041 0.49464 1.00000
Sn3 Sn 0.66331 0.66962 0.00535 1.00000
Sn4 Sn 0.30296 0.34034 0.17582 1.00000
Sn5 Sn 0.66716 0.66959 0.50536 1.00000
Sn6 Sn 0.64348 0.65912 0.32419 1.00000
Sn7 Sn 0.35652 0.34088 0.67581 1.00000
Sn8 Sn 0.69704 0.65966 0.82418 1.00000
I1 I 0.01987 0.31562 0.75159 1.00000
I2 I 0.33576 0.68471 0.74830 1.00000
I3 I 0.67032 0.00031 0.75011 1.00000
I4 I 0.98013 0.68438 0.24841 1.00000
I5 I 0.66424 0.31529 0.25170 1.00000
I6 I 0.32968 0.99969 0.24989 1.00000
I7 I 0.66131 0.97326 0.41726 1.00000
I8 I 0.98849 0.35231 0.42080 1.00000
I9 I 0.34327 0.65585 0.41663 1.00000
I10 I 0.63488 0.02672 0.08263 1.00000
I11 I 0.34045 0.64781 0.07924 1.00000
I12 I 0.99899 0.34477 0.08339 1.00000
I13 I 0.33869 0.02674 0.58274 1.00000
I14 I 0.01151 0.64769 0.57920 1.00000
I15 I 0.65673 0.34415 0.58337 1.00000
I16 I 0.36512 0.97328 0.91737 1.00000
I17 I 0.65955 0.35219 0.92076 1.00000
I18 I 0.00101 0.65523 0.91661 1.00000
