Sr3SiIr2
Alexandria ALEXAlex-ID: agm005674067 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2100_spg14
Sr2SiIr2 Sr4Ir Sr(SiIr)2
2023-08-25 01:49:19.058641
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674067).
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 agm005674067
data_agm005674067
_cell_length_a 6.26651
_cell_length_b 11.54292
_cell_length_c 10.03882
_cell_angle_alpha 90.00000
_cell_angle_beta 108.10592
_cell_angle_gamma 90.00000
_cell_volume 690.19005
_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 0.24793 0.90599 0.96890 1.00000
Sr2 Sr 0.25207 0.40599 0.53110 1.00000
Sr3 Sr 0.75207 0.09401 0.03110 1.00000
Sr4 Sr 0.74793 0.59401 0.46890 1.00000
Sr5 Sr 0.30212 0.54367 0.09117 1.00000
Sr6 Sr 0.19788 0.04367 0.40883 1.00000
Sr7 Sr 0.69788 0.45633 0.90883 1.00000
Sr8 Sr 0.80212 0.95633 0.59117 1.00000
Sr9 Sr 0.83374 0.77494 0.16107 1.00000
Sr10 Sr 0.66626 0.27494 0.33893 1.00000
Sr11 Sr 0.16626 0.22506 0.83893 1.00000
Sr12 Sr 0.33374 0.72506 0.66107 1.00000
Si1 Si 0.41863 0.80243 0.32207 1.00000
Si2 Si 0.08137 0.30243 0.17793 1.00000
Si3 Si 0.58137 0.19757 0.67793 1.00000
Si4 Si 0.91863 0.69757 0.82207 1.00000
Ir1 Ir 0.54319 0.97457 0.26455 1.00000
Ir2 Ir 0.95681 0.47457 0.23545 1.00000
Ir3 Ir 0.45681 0.02543 0.73545 1.00000
Ir4 Ir 0.04319 0.52543 0.76455 1.00000
Ir5 Ir 0.21629 0.64387 0.34783 1.00000
Ir6 Ir 0.28371 0.14387 0.15217 1.00000
Ir7 Ir 0.78371 0.35613 0.65217 1.00000
Ir8 Ir 0.71629 0.85613 0.84783 1.00000
