Al3InRh12
Alexandria ALEXAlex-ID: agm012201670 · Space group: R-3c (#167)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_108_spg167
Al3InRh4 AlRh7 InRh
2024-05-28 06:43:40.863331
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012201670).
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 agm012201670
data_agm012201670
_cell_length_a 7.74358
_cell_length_b 7.74358
_cell_length_c 7.74358
_cell_angle_alpha 90.08495
_cell_angle_beta 90.08495
_cell_angle_gamma 90.08495
_cell_volume 464.32610
_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
Al1 Al 0.51242 0.98758 0.25000 1.00000
Al2 Al 0.75000 0.48758 0.01242 1.00000
Al3 Al 0.01242 0.75000 0.48758 1.00000
Al4 Al 0.98758 0.25000 0.51242 1.00000
Al5 Al 0.25000 0.51242 0.98758 1.00000
Al6 Al 0.48758 0.01242 0.75000 1.00000
In1 In 0.25000 0.25000 0.25000 1.00000
In2 In 0.75000 0.75000 0.75000 1.00000
Rh1 Rh 0.75170 0.49891 0.49387 1.00000
Rh2 Rh 0.75000 0.25172 0.24828 1.00000
Rh3 Rh 0.99916 0.50084 0.75000 1.00000
Rh4 Rh 0.50109 0.50613 0.24830 1.00000
Rh5 Rh 0.74830 0.00613 0.00109 1.00000
Rh6 Rh 0.25000 0.00084 0.49916 1.00000
Rh7 Rh 0.74828 0.75172 0.25000 1.00000
Rh8 Rh 0.50084 0.75000 0.99916 1.00000
Rh9 Rh 0.99387 0.99891 0.25170 1.00000
Rh10 Rh 0.24828 0.75000 0.25172 1.00000
Rh11 Rh 0.00109 0.74830 0.00613 1.00000
Rh12 Rh 0.99891 0.25170 0.99387 1.00000
Rh13 Rh 0.00084 0.49916 0.25000 1.00000
Rh14 Rh 0.49387 0.75170 0.49891 1.00000
Rh15 Rh 0.50613 0.24830 0.50109 1.00000
Rh16 Rh 0.75172 0.25000 0.74828 1.00000
Rh17 Rh 0.25000 0.74828 0.75172 1.00000
Rh18 Rh 0.49916 0.25000 0.00084 1.00000
Rh19 Rh 0.25170 0.99387 0.99891 1.00000
Rh20 Rh 0.24830 0.50109 0.50613 1.00000
Rh21 Rh 0.00613 0.00109 0.74830 1.00000
Rh22 Rh 0.49891 0.49387 0.75170 1.00000
Rh23 Rh 0.25172 0.24828 0.75000 1.00000
Rh24 Rh 0.75000 0.99916 0.50084 1.00000
