Ba2Bi2Rh2N
Alexandria ALEXAlex-ID: agm024349647 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_474_spg5
Ba5Bi4 BaBi2Rh BaN2 Rh
2025-02-07 12:17:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024349647).
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 agm024349647
data_agm024349647
_cell_length_a 6.70825
_cell_length_b 6.70825
_cell_length_c 8.11709
_cell_angle_alpha 57.12539
_cell_angle_beta 122.87461
_cell_angle_gamma 140.17235
_cell_volume 191.02488
_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 0.44201 0.55799 0.67823 1.00000
Ba2 Ba 0.55799 0.44201 0.32177 1.00000
Bi1 Bi 0.81884 0.18116 0.90323 1.00000
Bi2 Bi 0.18116 0.81884 0.09677 1.00000
Rh1 Rh 0.83311 0.16689 0.26397 1.00000
Rh2 Rh 0.16689 0.83311 0.73603 1.00000
N1 N 0.00000 0.00000 0.50000 1.00000
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