Ba2OsRh
Alexandria ALEXAlex-ID: agm002880409 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_185_spg122
Ba3Rh Os BaRh
2016-03-15 18:51:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002880409).
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 agm002880409
data_agm002880409
_cell_length_a 8.46464
_cell_length_b 8.46464
_cell_length_c 6.76555
_cell_angle_alpha 51.27596
_cell_angle_beta 51.27596
_cell_angle_gamma 90.00000
_cell_volume 225.98232
_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
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
Rh2 Rh 0.25000 0.75000 0.50000 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Os2 Os 0.75000 0.25000 0.50000 1.00000
Ba1 Ba 0.60433 0.12500 0.25000 1.00000
Ba2 Ba 0.14567 0.62500 0.25000 1.00000
Ba3 Ba 0.37500 0.39567 0.75000 1.00000
Ba4 Ba 0.87500 0.85433 0.75000 1.00000
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