Sm5Sc5Sn6
Alexandria ALEXAlex-ID: agm016673085 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B5C6_1_spg38
Sm3Sc2Sn3 Sc5Sn3
2024-10-15 17:57:30.376796
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016673085).
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 agm016673085
data_agm016673085
_cell_length_a 8.82694
_cell_length_b 8.82694
_cell_length_c 6.31601
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.42225
_cell_volume 428.64056
_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 0.76051 0.99988 0.00000 1.00000
Sm2 Sm 0.99988 0.76051 0.00000 1.00000
Sm3 Sm 0.75459 0.75459 0.50000 1.00000
Sm4 Sm 0.23758 0.00127 0.50000 1.00000
Sm5 Sm 0.00127 0.23758 0.50000 1.00000
Sc1 Sc 0.33292 0.66794 0.75050 1.00000
Sc2 Sc 0.66794 0.33292 0.75050 1.00000
Sc3 Sc 0.66794 0.33292 0.24950 1.00000
Sc4 Sc 0.33292 0.66794 0.24950 1.00000
Sc5 Sc 0.24487 0.24487 0.00000 1.00000
Sn1 Sn 0.59109 0.59109 0.00000 1.00000
Sn2 Sn 0.39942 0.00872 0.00000 1.00000
Sn3 Sn 0.00872 0.39942 0.00000 1.00000
Sn4 Sn 0.40168 0.40168 0.50000 1.00000
Sn5 Sn 0.59747 0.00118 0.50000 1.00000
Sn6 Sn 0.00118 0.59747 0.50000 1.00000
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