Sm3GaCo2
Alexandria ALEXAlex-ID: agm005676341 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2093_spg11
SmGa SmCo
2023-08-17 10:56:29.655096
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676341).
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 agm005676341
data_agm005676341
_cell_length_a 7.78667
_cell_length_b 8.58016
_cell_length_c 8.58333
_cell_angle_alpha 90.00000
_cell_angle_beta 104.31546
_cell_angle_gamma 90.00000
_cell_volume 555.65375
_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 0.32679 0.96286 0.08288 1.00000
Sm2 Sm 0.17321 0.46286 0.41712 1.00000
Sm3 Sm 0.67321 0.03714 0.91712 1.00000
Sm4 Sm 0.82679 0.53714 0.58288 1.00000
Sm5 Sm 0.32864 0.53709 0.08432 1.00000
Sm6 Sm 0.17136 0.03709 0.41568 1.00000
Sm7 Sm 0.67136 0.46291 0.91568 1.00000
Sm8 Sm 0.82864 0.96291 0.58432 1.00000
Sm9 Sm 0.91164 0.74898 0.16093 1.00000
Sm10 Sm 0.58836 0.24898 0.33907 1.00000
Sm11 Sm 0.08836 0.25102 0.83907 1.00000
Sm12 Sm 0.41164 0.75102 0.66093 1.00000
Ga1 Ga 0.59899 0.75110 0.30986 1.00000
Ga2 Ga 0.90101 0.25110 0.19014 1.00000
Ga3 Ga 0.40101 0.24890 0.69014 1.00000
Ga4 Ga 0.09899 0.74890 0.80986 1.00000
Co1 Co 0.75114 0.99990 0.25034 1.00000
Co2 Co 0.74886 0.49990 0.24966 1.00000
Co3 Co 0.24886 0.00010 0.74966 1.00000
Co4 Co 0.25114 0.50010 0.75034 1.00000
Co5 Co 0.28858 0.75017 0.31089 1.00000
Co6 Co 0.21142 0.25017 0.18911 1.00000
Co7 Co 0.71142 0.24983 0.68911 1.00000
Co8 Co 0.78858 0.74983 0.81089 1.00000
