Sc2Ga5Ru
Alexandria ALEXAlex-ID: agm003476897 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_413_spg107
ScGa3Ru ScGa3 Sc3Ga5
2022-02-23 01:40:23.366712
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003476897).
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 agm003476897
data_agm003476897
_cell_length_a 5.61412
_cell_length_b 5.61412
_cell_length_c 5.61412
_cell_angle_alpha 100.06237
_cell_angle_beta 114.37078
_cell_angle_gamma 114.37078
_cell_volume 133.52613
_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
Sc1 Sc 0.50000 0.27533 0.77533 1.00000
Sc2 Sc 0.50000 0.77533 0.27533 1.00000
Ga1 Ga 0.43825 0.74406 0.74406 1.00000
Ga2 Ga 0.00000 0.74406 0.30581 1.00000
Ga3 Ga 0.00000 0.30581 0.74406 1.00000
Ga4 Ga 0.56175 0.30581 0.30581 1.00000
Ga5 Ga 1.00000 0.22224 0.22224 1.00000
Ru1 Ru 0.00000 0.84942 0.84942 1.00000
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