Sm2Si12Pt7
Alexandria ALEXAlex-ID: agm005671691 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_5_spg147
Sm2Si5Pt3 SiPt Si
2023-06-21 08:49:28.764893
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671691).
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 agm005671691
data_agm005671691
_cell_length_a 3.99536
_cell_length_b 10.04574
_cell_length_c 10.04574
_cell_angle_alpha 120.00001
_cell_angle_beta 90.00006
_cell_angle_gamma 89.99997
_cell_volume 349.18116
_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 0.27561 0.33333 0.66667 1.00000
Sm2 Sm 0.72439 0.66667 0.33333 1.00000
Si1 Si 0.26621 0.62578 0.06538 1.00000
Si2 Si 0.26621 0.43959 0.37421 1.00000
Si3 Si 0.26621 0.93462 0.56040 1.00000
Si4 Si 0.73379 0.37422 0.93462 1.00000
Si5 Si 0.73379 0.56041 0.62579 1.00000
Si6 Si 0.73379 0.06538 0.43960 1.00000
Si7 Si 0.27683 0.11972 0.26519 1.00000
Si8 Si 0.27683 0.14547 0.88028 1.00000
Si9 Si 0.27683 0.73481 0.85453 1.00000
Si10 Si 0.72317 0.88028 0.73481 1.00000
Si11 Si 0.72317 0.85453 0.11972 1.00000
Si12 Si 0.72317 0.26519 0.14547 1.00000
Pt1 Pt 0.50000 0.00000 0.00000 1.00000
Pt2 Pt 0.20672 0.89306 0.29659 1.00000
Pt3 Pt 0.20673 0.40353 0.10694 1.00000
Pt4 Pt 0.20672 0.70341 0.59647 1.00000
Pt5 Pt 0.79328 0.10694 0.70341 1.00000
Pt6 Pt 0.79327 0.59647 0.89306 1.00000
Pt7 Pt 0.79328 0.29659 0.40353 1.00000
