Ac2Ag3Rh
Alexandria ALEXAlex-ID: agm005697225 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_281_spg70
AcAg3 AcRh
2023-08-24 16:34:59.421534
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697225).
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 agm005697225
data_agm005697225
_cell_length_a 8.71877
_cell_length_b 9.83545
_cell_length_c 9.38545
_cell_angle_alpha 78.11934
_cell_angle_beta 62.32321
_cell_angle_gamma 63.68972
_cell_volume 638.90766
_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
Ac1 Ac 0.88783 0.50000 0.22434 1.00000
Ac2 Ac 0.13783 1.00000 0.72434 1.00000
Ac3 Ac 0.86217 0.00000 0.27566 1.00000
Ac4 Ac 0.61217 0.50000 0.77566 1.00000
Ac5 Ac 0.37038 0.00000 0.25924 1.00000
Ac6 Ac 0.62962 1.00000 0.74076 1.00000
Ac7 Ac 0.37962 0.50000 0.24076 1.00000
Ac8 Ac 0.12038 0.50000 0.75924 1.00000
Ag1 Ag 0.29666 0.83810 0.00200 1.00000
Ag2 Ag 0.13676 0.16190 0.99800 1.00000
Ag3 Ag 0.86524 0.83810 0.99800 1.00000
Ag4 Ag 0.70134 0.16190 0.00200 1.00000
Ag5 Ag 0.45334 0.66190 0.49800 1.00000
Ag6 Ag 0.61324 0.33810 0.50200 1.00000
Ag7 Ag 0.88476 0.66190 0.50200 1.00000
Ag8 Ag 0.39994 0.20011 0.50000 1.00000
Ag9 Ag 0.64994 0.70011 0.00000 1.00000
Ag10 Ag 0.35006 0.29989 1.00000 1.00000
Ag11 Ag 0.10006 0.79989 0.50000 1.00000
Ag12 Ag 0.04866 0.33810 0.49800 1.00000
Rh1 Rh 0.55390 0.89221 0.50000 1.00000
Rh2 Rh 0.19610 0.60779 1.00000 1.00000
Rh3 Rh 0.94610 0.10779 0.50000 1.00000
Rh4 Rh 0.80390 0.39221 0.00000 1.00000
