Ba3Rh2
Alexandria ALEXAlex-ID: agm005507902 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_926_spg43
Ba3Rh BaRh
2023-03-20 12:52:52.594051
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507902).
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 agm005507902
data_agm005507902
_cell_length_a 10.16744
_cell_length_b 8.91686
_cell_length_c 6.80220
_cell_angle_alpha 79.35739
_cell_angle_beta 59.53238
_cell_angle_gamma 41.11023
_cell_volume 327.61818
_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 0.64267 0.93849 0.19461 1.00000
Ba2 Ba 0.22423 0.19461 0.93849 1.00000
Ba3 Ba 0.05539 0.02577 0.60733 1.00000
Ba4 Ba 0.31151 0.60733 0.02577 1.00000
Ba5 Ba 0.91889 0.58111 0.58111 1.00000
Ba6 Ba 0.66889 0.33111 0.33111 1.00000
Rh1 Rh 0.53990 0.70722 0.07858 1.00000
Rh2 Rh 0.67431 0.07858 0.70722 1.00000
Rh3 Rh 0.17142 0.57569 0.71010 1.00000
Rh4 Rh 0.54278 0.71010 0.57569 1.00000
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