Ac3Rh2I
Alexandria ALEXAlex-ID: agm005805579 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_39_spg63
Ac2RhI AcRh
2023-08-24 13:08:38.790854
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005805579).
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 agm005805579
data_agm005805579
_cell_length_a 4.69442
_cell_length_b 8.71737
_cell_length_c 10.61662
_cell_angle_alpha 90.00003
_cell_angle_beta 89.99999
_cell_angle_gamma 105.62002
_cell_volume 418.41839
_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 0.60971 0.21941 0.05220 1.00000
Ac2 Ac 0.09354 0.18709 0.75000 1.00000
Ac3 Ac 0.60971 0.21941 0.44780 1.00000
Ac4 Ac 0.90646 0.81291 0.25000 1.00000
Ac5 Ac 0.39029 0.78059 0.94780 1.00000
Ac6 Ac 0.39029 0.78059 0.55220 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Rh2 Rh 0.00000 0.00000 0.50000 1.00000
Rh3 Rh 0.49238 0.98475 0.25000 1.00000
Rh4 Rh 0.50762 0.01525 0.75000 1.00000
I1 I 0.23146 0.46293 0.25000 1.00000
I2 I 0.76854 0.53707 0.75000 1.00000
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