Ba3Sb4Rh7
Alexandria ALEXAlex-ID: agm005704852 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_33_spg12
BaSb3Rh5 BaSbRh Rh
2023-06-29 17:34:11.781825
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704852).
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 agm005704852
data_agm005704852
_cell_length_a 4.45910
_cell_length_b 9.05642
_cell_length_c 8.72523
_cell_angle_alpha 78.26937
_cell_angle_beta 75.19505
_cell_angle_gamma 75.74816
_cell_volume 326.44559
_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 0.29462 0.20008 0.21068 1.00000
Ba2 Ba 0.70538 0.79992 0.78932 1.00000
Ba3 Ba 0.00000 0.50000 0.50000 1.00000
Sb1 Sb 0.66565 0.51692 0.15178 1.00000
Sb2 Sb 0.33435 0.48308 0.84822 1.00000
Sb3 Sb 0.89633 0.88752 0.31982 1.00000
Sb4 Sb 0.10367 0.11248 0.68018 1.00000
Rh1 Rh 0.30825 0.89752 0.48598 1.00000
Rh2 Rh 0.49630 0.16871 0.83869 1.00000
Rh3 Rh 0.87479 0.33033 0.92009 1.00000
Rh4 Rh 0.69175 0.10248 0.51402 1.00000
Rh5 Rh 0.12521 0.66967 0.07991 1.00000
Rh6 Rh 0.00000 0.00000 0.00000 1.00000
Rh7 Rh 0.50370 0.83129 0.16131 1.00000
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