Sr3(Ga2Sn)2
Alexandria ALEXAlex-ID: agm005673763 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_728_spg12
SrGa3 SrGaSn SrSn
2023-06-27 01:47:36.351479
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673763).
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
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# CIF generated by HEAS from Alexandria entry agm005673763
data_agm005673763
_cell_length_a 4.51475
_cell_length_b 6.63891
_cell_length_c 10.57358
_cell_angle_alpha 58.69367
_cell_angle_beta 77.67293
_cell_angle_gamma 70.12178
_cell_volume 254.37768
_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 0.33035 0.67048 0.66881 1.00000
Sr2 Sr 0.00000 0.00000 0.00000 1.00000
Sr3 Sr 0.66965 0.32952 0.33119 1.00000
Ga1 Ga 0.25928 0.42267 0.05877 1.00000
Ga2 Ga 0.74072 0.57733 0.94123 1.00000
Ga3 Ga 0.02506 0.32055 0.62933 1.00000
Ga4 Ga 0.97494 0.67945 0.37067 1.00000
Sn1 Sn 0.38235 0.95179 0.28352 1.00000
Sn2 Sn 0.61765 0.04821 0.71648 1.00000
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