Ba3AcRh2
Alexandria ALEXAlex-ID: agm005692513 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_82_spg12
Ba4Rh AcRh2 AcRh
2023-08-24 13:39:23.819221
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692513).
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 agm005692513
data_agm005692513
_cell_length_a 4.65527
_cell_length_b 9.56734
_cell_length_c 11.67505
_cell_angle_alpha 73.10560
_cell_angle_beta 78.49998
_cell_angle_gamma 75.91922
_cell_volume 477.93821
_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
Ba1 Ba 0.05044 0.13951 0.75961 1.00000
Ba2 Ba 0.94956 0.86049 0.24039 1.00000
Ba3 Ba 0.66677 0.68851 0.97796 1.00000
Ba4 Ba 0.33323 0.31149 0.02204 1.00000
Ba5 Ba 0.77965 0.83741 0.60330 1.00000
Ba6 Ba 0.22035 0.16259 0.39670 1.00000
Ac1 Ac 0.42206 0.49251 0.66336 1.00000
Ac2 Ac 0.57794 0.50749 0.33664 1.00000
Rh1 Rh 0.86181 0.45621 0.82016 1.00000
Rh2 Rh 0.13819 0.54379 0.17984 1.00000
Rh3 Rh 0.60643 0.23031 0.55684 1.00000
Rh4 Rh 0.39357 0.76969 0.44316 1.00000
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