Y4Si2I3
Alexandria ALEXAlex-ID: agm005692755 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Y2SiI2 Y5Si3 Y4SiI6
2023-06-28 07:17:59.721482
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692755).
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 agm005692755
data_agm005692755
_cell_length_a 4.21751
_cell_length_b 4.21751
_cell_length_c 18.70338
_cell_angle_alpha 90.04206
_cell_angle_beta 89.95793
_cell_angle_gamma 119.99618
_cell_volume 288.12394
_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
Y1 Y 0.33366 0.66634 0.87729 1.00000
Y2 Y 0.99935 0.00065 0.28214 1.00000
Y3 Y 0.00065 0.99935 0.71786 1.00000
Y4 Y 0.66634 0.33366 0.12271 1.00000
Si1 Si 0.66714 0.33286 0.80188 1.00000
Si2 Si 0.33286 0.66714 0.19812 1.00000
I1 I 0.66587 0.33413 0.38968 1.00000
I2 I 0.00000 0.00000 0.00000 1.00000
I3 I 0.33413 0.66587 0.61032 1.00000
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