Ac3Si4Rh7
Alexandria ALEXAlex-ID: agm005696974 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_8_spg12
AcSi2Rh3 AcRh
2023-06-29 17:55:16.929305
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696974).
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 agm005696974
data_agm005696974
_cell_length_a 4.10313
_cell_length_b 8.37585
_cell_length_c 8.40419
_cell_angle_alpha 75.28478
_cell_angle_beta 75.87065
_cell_angle_gamma 75.82185
_cell_volume 265.70106
_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 0.31925 0.17860 0.18290 1.00000
Ac2 Ac 0.68075 0.82140 0.81710 1.00000
Ac3 Ac 0.00000 0.50000 0.50000 1.00000
Si1 Si 0.65614 0.49855 0.18917 1.00000
Si2 Si 0.34386 0.50145 0.81083 1.00000
Si3 Si 0.88871 0.88555 0.33703 1.00000
Si4 Si 0.11129 0.11445 0.66297 1.00000
Rh1 Rh 0.30193 0.86998 0.52617 1.00000
Rh2 Rh 0.49911 0.21919 0.78260 1.00000
Rh3 Rh 0.83634 0.39481 0.93251 1.00000
Rh4 Rh 0.69807 0.13002 0.47383 1.00000
Rh5 Rh 0.16366 0.60519 0.06749 1.00000
Rh6 Rh 0.00000 0.00000 0.00000 1.00000
Rh7 Rh 0.50089 0.78081 0.21740 1.00000
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