SmGa2PdRu
Alexandria ALEXAlex-ID: agm005020101 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_49_spg119
Sm2Ga9Ru5 Sm2Ga4Ru3 SmGaPd2 Ru
2022-07-04 06:32:10.744739
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005020101).
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 agm005020101
data_agm005020101
_cell_length_a 4.28225
_cell_length_b 4.28225
_cell_length_c 5.92376
_cell_angle_alpha 111.18907
_cell_angle_beta 111.18907
_cell_angle_gamma 90.00000
_cell_volume 93.36377
_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 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.62516 0.62516 0.25031 1.00000
Ga2 Ga 0.37484 0.37484 0.74969 1.00000
Pd1 Pd 0.75000 0.25000 0.50000 1.00000
Ru1 Ru 0.25000 0.75000 0.50000 1.00000
