Sm3(AlGa)4
Alexandria ALEXAlex-ID: agm005708065 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_0_spg71
SmAlGa2 SmAl3 SmGa2
2023-06-29 19:19:40.825443
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708065).
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 agm005708065
data_agm005708065
_cell_length_a 4.31293
_cell_length_b 4.14535
_cell_length_c 13.28250
_cell_angle_alpha 98.97744
_cell_angle_beta 99.34354
_cell_angle_gamma 90.00001
_cell_volume 231.37283
_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 0.35507 0.85507 0.71015 1.00000
Sm2 Sm 0.64493 0.14493 0.28985 1.00000
Sm3 Sm 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.25151 0.25151 0.50303 1.00000
Al2 Al 0.09397 0.59397 0.18795 1.00000
Al3 Al 0.90603 0.40603 0.81205 1.00000
Al4 Al 0.74849 0.74849 0.49697 1.00000
Ga1 Ga 0.81012 0.31012 0.62024 1.00000
Ga2 Ga 0.45233 0.45233 0.90465 1.00000
Ga3 Ga 0.54767 0.54767 0.09535 1.00000
Ga4 Ga 0.18988 0.68988 0.37976 1.00000
Get direct link