Sm12Sn6Ir
Alexandria ALEXAlex-ID: agm003689618 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_2_spg148
Sm5Sn2Ir Sm5Sn3 Sm
2022-04-13 07:04:32.776647
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003689618).
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 agm003689618
data_agm003689618
_cell_length_a 8.81099
_cell_length_b 8.81099
_cell_length_c 8.81099
_cell_angle_alpha 99.34980
_cell_angle_beta 99.34980
_cell_angle_gamma 99.34980
_cell_volume 653.32531
_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 0.80668 0.57222 0.43685 1.00000
Sm2 Sm 0.43685 0.80668 0.57222 1.00000
Sm3 Sm 0.57222 0.43685 0.80668 1.00000
Sm4 Sm 0.19332 0.42778 0.56315 1.00000
Sm5 Sm 0.56315 0.19332 0.42778 1.00000
Sm6 Sm 0.42778 0.56315 0.19332 1.00000
Sm7 Sm 0.05765 0.97919 0.31514 1.00000
Sm8 Sm 0.02081 0.68486 0.94235 1.00000
Sm9 Sm 0.68486 0.94235 0.02081 1.00000
Sm10 Sm 0.94235 0.02081 0.68486 1.00000
Sm11 Sm 0.97919 0.31514 0.05765 1.00000
Sm12 Sm 0.31514 0.05765 0.97919 1.00000
Sn1 Sn 0.69209 0.87659 0.36414 1.00000
Sn2 Sn 0.63586 0.30791 0.12341 1.00000
Sn3 Sn 0.12341 0.63586 0.30791 1.00000
Sn4 Sn 0.30791 0.12341 0.63586 1.00000
Sn5 Sn 0.36414 0.69209 0.87659 1.00000
Sn6 Sn 0.87659 0.36414 0.69209 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
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