Sm3ScGa3
Alexandria ALEXAlex-ID: agm003545112 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_304_spg12
Sm2Sc3Ga4 Sm3Ga2 SmGa
2022-04-04 09:00:57.820903
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545112).
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 agm003545112
data_agm003545112
_cell_length_a 7.04559
_cell_length_b 7.04559
_cell_length_c 8.02089
_cell_angle_alpha 95.54106
_cell_angle_beta 95.54106
_cell_angle_gamma 112.93827
_cell_volume 361.02966
_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 0.65586 0.65586 0.38324 1.00000
Sm2 Sm 0.19481 0.80519 0.50000 1.00000
Sm3 Sm 0.80519 0.19481 0.50000 1.00000
Sm4 Sm 0.23924 0.76076 0.00000 1.00000
Sm5 Sm 0.76076 0.23924 0.00000 1.00000
Sm6 Sm 0.34414 0.34414 0.61676 1.00000
Sc1 Sc 0.72449 0.72449 0.99475 1.00000
Sc2 Sc 0.27551 0.27551 0.00525 1.00000
Ga1 Ga 0.02688 0.02688 0.24240 1.00000
Ga2 Ga 0.84944 0.56362 0.72169 1.00000
Ga3 Ga 0.56362 0.84944 0.72169 1.00000
Ga4 Ga 0.15056 0.43638 0.27831 1.00000
Ga5 Ga 0.43638 0.15056 0.27831 1.00000
Ga6 Ga 0.97312 0.97312 0.75760 1.00000
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