Ac4AgRh2
Alexandria ALEXAlex-ID: agm003454456 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_39_spg122
Ac4AgRh2
2022-02-19 02:19:02.116469
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003454456).
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 agm003454456
data_agm003454456
_cell_length_a 8.24817
_cell_length_b 8.24807
_cell_length_c 8.25034
_cell_angle_alpha 108.53948
_cell_angle_beta 108.57470
_cell_angle_gamma 111.28926
_cell_volume 431.88311
_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 0.86102 0.23497 0.25391 1.00000
Ac2 Ac 0.26925 0.51522 0.12637 1.00000
Ac3 Ac 0.98097 0.60692 0.74598 1.00000
Ac4 Ac 0.76537 0.01932 0.62639 1.00000
Ac5 Ac 0.39287 0.13896 0.37378 1.00000
Ac6 Ac 0.38886 0.14285 0.87381 1.00000
Ac7 Ac 0.48488 0.61116 0.75405 1.00000
Ac8 Ac 0.85693 0.73075 0.24585 1.00000
Ag1 Ag 0.25009 0.75019 0.50003 1.00000
Ag2 Ag 0.99962 0.99952 0.00003 1.00000
Rh1 Rh 0.75672 0.37507 0.88180 1.00000
Rh2 Rh 0.49332 0.87503 0.11811 1.00000
Rh3 Rh 0.62507 0.50650 0.38161 1.00000
Rh4 Rh 0.12501 0.24351 0.61827 1.00000
Get direct link