Sr3Sn3Ir
Alexandria ALEXAlex-ID: agm005936005 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_609_spg12
Sr3(SnIr)4 SrSn Sr2SnIr2
2023-08-06 19:23:02.364531
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005936005).
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 agm005936005
data_agm005936005
_cell_length_a 4.79896
_cell_length_b 6.42510
_cell_length_c 15.18518
_cell_angle_alpha 84.24532
_cell_angle_beta 80.90833
_cell_angle_gamma 68.07122
_cell_volume 428.44833
_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 0.51863 0.34920 0.61354 1.00000
Sr2 Sr 0.48137 0.65080 0.38646 1.00000
Sr3 Sr 0.25661 0.24908 0.23770 1.00000
Sr4 Sr 0.74339 0.75092 0.76230 1.00000
Sr5 Sr 0.40008 0.28164 0.91820 1.00000
Sr6 Sr 0.59992 0.71836 0.08180 1.00000
Sn1 Sn 0.82918 0.80146 0.54017 1.00000
Sn2 Sn 0.17082 0.19854 0.45983 1.00000
Sn3 Sn 0.11170 0.85411 0.92249 1.00000
Sn4 Sn 0.88830 0.14589 0.07751 1.00000
Sn5 Sn 0.95797 0.84099 0.24308 1.00000
Sn6 Sn 0.04203 0.15901 0.75692 1.00000
Ir1 Ir 0.75841 0.09274 0.39045 1.00000
Ir2 Ir 0.24159 0.90726 0.60955 1.00000
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