SmGa5Rh6
Alexandria ALEXAlex-ID: agm006136555 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
SmGa2Rh3 GaRh
2023-08-26 18:40:49.803537
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136555).
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
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# CIF generated by HEAS from Alexandria entry agm006136555
data_agm006136555
_cell_length_a 4.32580
_cell_length_b 6.45734
_cell_length_c 6.85447
_cell_angle_alpha 90.00038
_cell_angle_beta 108.31348
_cell_angle_gamma 89.99981
_cell_volume 181.76968
_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
Rh1 Rh 0.82596 0.73785 0.65233 1.00000
Rh2 Rh 0.82597 0.26215 0.65233 1.00000
Rh3 Rh 0.50000 0.27715 0.99999 1.00000
Rh4 Rh 0.50000 0.72285 0.00001 1.00000
Rh5 Rh 0.17403 0.73785 0.34767 1.00000
Rh6 Rh 0.17404 0.26215 0.34767 1.00000
Ga1 Ga 0.66573 0.50000 0.33074 1.00000
Ga2 Ga 0.32993 0.00000 0.65975 1.00000
Ga3 Ga 0.00000 0.50000 0.00000 1.00000
Ga4 Ga 0.67007 1.00000 0.34025 1.00000
Ga5 Ga 0.33427 0.50000 0.66926 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
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