Sm4Si2I3
Alexandria ALEXAlex-ID: agm005692777 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Sm3SiI3 SmSi
2023-06-28 07:11:18.204401
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692777).
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 agm005692777
data_agm005692777
_cell_length_a 4.29172
_cell_length_b 4.29172
_cell_length_c 19.00270
_cell_angle_alpha 90.03257
_cell_angle_beta 89.96742
_cell_angle_gamma 120.00063
_cell_volume 303.11362
_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
Sm1 Sm 0.33354 0.66646 0.87911 1.00000
Sm2 Sm 0.99952 0.00048 0.28414 1.00000
Sm3 Sm 0.00048 0.99952 0.71586 1.00000
Sm4 Sm 0.66646 0.33354 0.12089 1.00000
Si1 Si 0.66700 0.33300 0.80161 1.00000
Si2 Si 0.33300 0.66700 0.19839 1.00000
I1 I 0.66608 0.33392 0.39143 1.00000
I2 I 0.00000 0.00000 0.00000 1.00000
I3 I 0.33392 0.66608 0.60857 1.00000
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