Sc2Ga5IrRu2
Alexandria ALEXAlex-ID: agm005134414 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_50_spg127
ScGaIr Sc2Ga4Ru3 Sc8Ga15Ir7 Ga2Ru
2022-07-15 03:47:49.956547
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005134414).
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 agm005134414
data_agm005134414
_cell_length_a 3.96168
_cell_length_b 9.11272
_cell_length_c 9.11272
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 328.98455
_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 0.00000 0.67605 0.17605 1.00000
Sc2 Sc 0.00000 0.32395 0.82395 1.00000
Sc3 Sc 0.00000 0.17605 0.32395 1.00000
Sc4 Sc 0.00000 0.82395 0.67605 1.00000
Ga1 Ga 0.50000 0.19769 0.06384 1.00000
Ga2 Ga 0.50000 0.80231 0.93616 1.00000
Ga3 Ga 0.50000 0.06384 0.80231 1.00000
Ga4 Ga 0.50000 0.69769 0.43616 1.00000
Ga5 Ga 0.50000 0.93616 0.19769 1.00000
Ga6 Ga 0.50000 0.30231 0.56384 1.00000
Ga7 Ga 0.50000 0.56384 0.69769 1.00000
Ga8 Ga 0.50000 0.43616 0.30231 1.00000
Ga9 Ga 0.50000 0.50000 0.00000 1.00000
Ga10 Ga 0.50000 0.00000 0.50000 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Ir2 Ir 0.00000 0.50000 0.50000 1.00000
Ru1 Ru 0.00000 0.12110 0.62110 1.00000
Ru2 Ru 0.00000 0.87890 0.37890 1.00000
Ru3 Ru 0.00000 0.62110 0.87890 1.00000
Ru4 Ru 0.00000 0.37890 0.12110 1.00000
Get direct link