Sm5Sn2Ru
Alexandria ALEXAlex-ID: agm036675644 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_2341_spg62
Sm5Sn2Ru
2024-09-13 13:00:29.168832
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036675644).
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 agm036675644
data_agm036675644
_cell_length_a 8.02101
_cell_length_b 9.18176
_cell_length_c 12.46641
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 918.11357
_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 0.04094 0.75000 0.00210 1.00000
Sm2 Sm 0.95906 0.25000 0.99790 1.00000
Sm3 Sm 0.54094 0.25000 0.49790 1.00000
Sm4 Sm 0.45906 0.75000 0.50210 1.00000
Sm5 Sm 0.32055 0.46641 0.06867 1.00000
Sm6 Sm 0.67945 0.53359 0.93133 1.00000
Sm7 Sm 0.82055 0.53359 0.43133 1.00000
Sm8 Sm 0.67945 0.96641 0.93133 1.00000
Sm9 Sm 0.17945 0.46641 0.56867 1.00000
Sm10 Sm 0.32055 0.03359 0.06867 1.00000
Sm11 Sm 0.17945 0.03359 0.56867 1.00000
Sm12 Sm 0.82055 0.96641 0.43133 1.00000
Sm13 Sm 0.15014 0.75000 0.28819 1.00000
Sm14 Sm 0.84986 0.25000 0.71181 1.00000
Sm15 Sm 0.65014 0.25000 0.21181 1.00000
Sm16 Sm 0.34986 0.75000 0.78819 1.00000
Sm17 Sm 0.62277 0.75000 0.19881 1.00000
Sm18 Sm 0.37723 0.25000 0.80119 1.00000
Sm19 Sm 0.12277 0.25000 0.30119 1.00000
Sm20 Sm 0.87723 0.75000 0.69881 1.00000
Sn1 Sn 0.42170 0.00498 0.33055 1.00000
Sn2 Sn 0.57830 0.99502 0.66945 1.00000
Sn3 Sn 0.92170 0.99502 0.16945 1.00000
Sn4 Sn 0.57830 0.50498 0.66945 1.00000
Sn5 Sn 0.07830 0.00498 0.83055 1.00000
Sn6 Sn 0.42170 0.49502 0.33055 1.00000
Sn7 Sn 0.07830 0.49502 0.83055 1.00000
Sn8 Sn 0.92170 0.50498 0.16945 1.00000
Ru1 Ru 0.42538 0.75000 0.01010 1.00000
Ru2 Ru 0.57462 0.25000 0.98990 1.00000
Ru3 Ru 0.92538 0.25000 0.48990 1.00000
Ru4 Ru 0.07462 0.75000 0.51010 1.00000
