Sc3Ga3Ir2Rh
Alexandria ALEXAlex-ID: agm033863301 · Space group: P-6 (#174)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_125_spg1
Sc3Ir2Rh ScGaIr Sc3(Ga2Rh)2 ScGaRh2
2025-01-01 05:21:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033863301).
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 agm033863301
data_agm033863301
_cell_length_a 7.01247
_cell_length_b 7.01247
_cell_length_c 7.31242
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 311.41123
_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 0.73380 0.07021 0.50000 1.00000
Sc2 Sc 0.33641 0.26620 0.50000 1.00000
Sc3 Sc 0.92979 0.66359 0.50000 1.00000
Sc4 Sc 0.33673 0.26631 0.00000 1.00000
Sc5 Sc 0.73369 0.07041 0.00000 1.00000
Sc6 Sc 0.92959 0.66327 0.00000 1.00000
Ga1 Ga 0.59578 0.66734 0.25000 1.00000
Ga2 Ga 0.07156 0.40422 0.25000 1.00000
Ga3 Ga 0.33266 0.92844 0.25000 1.00000
Ga4 Ga 0.59578 0.66734 0.75000 1.00000
Ga5 Ga 0.07156 0.40422 0.75000 1.00000
Ga6 Ga 0.33266 0.92844 0.75000 1.00000
Ir1 Ir 0.33333 0.66667 0.50000 1.00000
Ir2 Ir 0.33333 0.66667 0.00000 1.00000
Ir3 Ir 0.66667 0.33333 0.25020 1.00000
Ir4 Ir 0.66667 0.33333 0.74980 1.00000
Rh1 Rh 0.00000 0.00000 0.75016 1.00000
Rh2 Rh 0.00000 0.00000 0.24984 1.00000
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