Ac3H5Rh
Alexandria ALEXAlex-ID: agm072392573 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1255_spg8
AcH3 Ac4H9 AcRh
2024-09-24 11:53:02.535075
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072392573).
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
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# CIF generated by HEAS from Alexandria entry agm072392573
data_agm072392573
_cell_length_a 3.91878
_cell_length_b 7.17277
_cell_length_c 7.88982
_cell_angle_alpha 56.85191
_cell_angle_beta 60.43241
_cell_angle_gamma 74.16055
_cell_volume 161.49840
_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 0.49334 0.38803 0.01175 1.00000
Ac2 Ac 0.02037 0.98293 0.68404 1.00000
Ac3 Ac 0.51419 0.63528 0.36671 1.00000
H1 H 0.67089 0.01016 0.02524 1.00000
H2 H 0.24450 0.30255 0.80299 1.00000
H3 H 0.87615 0.58997 0.02803 1.00000
H4 H 0.12577 0.39174 0.37625 1.00000
H5 H 0.72153 0.71296 0.62019 1.00000
Rh1 Rh 0.19906 0.01299 0.99303 1.00000
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