Sm3Ga3NiRh2
Alexandria ALEXAlex-ID: agm034771755 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
Sm3Ga3NiRh2
2025-03-29 20:08:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034771755).
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 agm034771755
data_agm034771755
_cell_length_a 6.92526
_cell_length_b 4.34998
_cell_length_c 23.39918
_cell_angle_alpha 90.00000
_cell_angle_beta 90.06772
_cell_angle_gamma 90.00000
_cell_volume 704.89461
_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 0.53191 0.00000 0.93635 1.00000
Sm2 Sm 0.52983 0.00000 0.60454 1.00000
Sm3 Sm 0.53075 0.00000 0.27059 1.00000
Sm4 Sm 0.03066 0.00000 0.89489 1.00000
Sm5 Sm 0.02747 0.00000 0.56430 1.00000
Sm6 Sm 0.02721 0.00000 0.22927 1.00000
Sm7 Sm 0.47109 0.50000 0.72941 1.00000
Sm8 Sm 0.46834 0.50000 0.39604 1.00000
Sm9 Sm 0.46911 0.50000 0.06118 1.00000
Sm10 Sm 0.97043 0.50000 0.77073 1.00000
Sm11 Sm 0.96821 0.50000 0.43774 1.00000
Sm12 Sm 0.96899 0.50000 0.10304 1.00000
Ga1 Ga 0.65479 0.00000 0.80805 1.00000
Ga2 Ga 0.65499 0.00000 0.47593 1.00000
Ga3 Ga 0.65481 0.00000 0.14139 1.00000
Ga4 Ga 0.15422 0.00000 0.69263 1.00000
Ga5 Ga 0.14747 0.00000 0.35692 1.00000
Ga6 Ga 0.14828 0.00000 0.02210 1.00000
Ga7 Ga 0.34547 0.50000 0.85368 1.00000
Ga8 Ga 0.34511 0.50000 0.52406 1.00000
Ga9 Ga 0.34597 0.50000 0.18938 1.00000
Ga10 Ga 0.84544 0.50000 0.97808 1.00000
Ga11 Ga 0.84143 0.50000 0.64645 1.00000
Ga12 Ga 0.84232 0.50000 0.31252 1.00000
Ni1 Ni 0.78206 0.00000 0.70458 1.00000
Ni2 Ni 0.77799 0.00000 0.37082 1.00000
Ni3 Ni 0.77949 0.00000 0.03621 1.00000
Ni4 Ni 0.28376 0.00000 0.79575 1.00000
Rh1 Rh 0.27137 0.00000 0.46367 1.00000
Rh2 Rh 0.27172 0.00000 0.12887 1.00000
Rh3 Rh 0.22874 0.50000 0.96161 1.00000
Rh4 Rh 0.22385 0.50000 0.63220 1.00000
Rh5 Rh 0.22497 0.50000 0.29711 1.00000
Rh6 Rh 0.72817 0.50000 0.86912 1.00000
Rh7 Rh 0.72683 0.50000 0.53764 1.00000
Rh8 Rh 0.72676 0.50000 0.20318 1.00000
