Sm8(GaSn3)3
Alexandria ALEXAlex-ID: agm008202004 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8C9_3_spg12
SmSn2 Sm3Ga2Sn3 SmSn
2024-03-04 21:48:12.120212
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008202004).
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 agm008202004
data_agm008202004
_cell_length_a 6.15378
_cell_length_b 6.15378
_cell_length_c 23.01003
_cell_angle_alpha 75.60461
_cell_angle_beta 75.60461
_cell_angle_gamma 40.61745
_cell_volume 546.97055
_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 0.13164 0.13164 0.32086 1.00000
Sm2 Sm 0.62995 0.62995 0.06977 1.00000
Sm3 Sm 0.14715 0.14715 0.81691 1.00000
Sm4 Sm 0.63812 0.63812 0.56939 1.00000
Sm5 Sm 0.36188 0.36188 0.43061 1.00000
Sm6 Sm 0.85285 0.85285 0.18309 1.00000
Sm7 Sm 0.37005 0.37005 0.93023 1.00000
Sm8 Sm 0.86836 0.86836 0.67914 1.00000
Ga1 Ga 0.50907 0.50907 0.74558 1.00000
Ga2 Ga 0.00000 0.00000 0.50000 1.00000
Ga3 Ga 0.49093 0.49093 0.25442 1.00000
Sn1 Sn 0.84908 0.84908 0.32345 1.00000
Sn2 Sn 0.34061 0.34061 0.07716 1.00000
Sn3 Sn 0.86942 0.86942 0.81839 1.00000
Sn4 Sn 0.35817 0.35817 0.57046 1.00000
Sn5 Sn 0.64183 0.64183 0.42954 1.00000
Sn6 Sn 0.13058 0.13058 0.18161 1.00000
Sn7 Sn 0.65939 0.65939 0.92284 1.00000
Sn8 Sn 0.15092 0.15092 0.67655 1.00000
Sn9 Sn 0.00000 0.00000 0.00000 1.00000
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