Sc5Sn3O
Alexandria ALEXAlex-ID: agm056203569 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_626_spg8
Sc5Sn3O
2025-02-28 05:24:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm056203569).
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 agm056203569
data_agm056203569
_cell_length_a 8.52235
_cell_length_b 8.52235
_cell_length_c 8.52235
_cell_angle_alpha 126.36109
_cell_angle_beta 126.36109
_cell_angle_gamma 79.29547
_cell_volume 388.07888
_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
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Sc2 Sc 0.50000 0.50000 0.00000 1.00000
Sc3 Sc 0.49741 0.69955 0.50000 1.00000
Sc4 Sc 0.19955 0.99741 0.50000 1.00000
Sc5 Sc 0.69955 0.19955 0.20214 1.00000
Sc6 Sc 0.99741 0.49741 0.79786 1.00000
Sc7 Sc 0.50259 0.30045 0.50000 1.00000
Sc8 Sc 0.80045 0.00259 0.50000 1.00000
Sc9 Sc 0.30045 0.80045 0.79786 1.00000
Sc10 Sc 0.00259 0.50259 0.20214 1.00000
Sn1 Sn 0.75000 0.75000 0.00000 1.00000
Sn2 Sn 0.25000 0.25000 0.00000 1.00000
Sn3 Sn 0.85262 0.64738 0.50000 1.00000
Sn4 Sn 0.14738 0.35262 0.50000 1.00000
Sn5 Sn 0.64738 0.14738 0.79476 1.00000
Sn6 Sn 0.35262 0.85262 0.20524 1.00000
O1 O 0.25000 0.75000 0.50000 1.00000
O2 O 0.75000 0.25000 0.50000 1.00000
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