Ba3In2Rh
Alexandria ALEXAlex-ID: agm005752647 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2106_spg15
BaInRh Ba4Rh BaIn
2023-08-24 15:07:49.848709
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752647).
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 agm005752647
data_agm005752647
_cell_length_a 7.63326
_cell_length_b 7.63326
_cell_length_c 8.46245
_cell_angle_alpha 77.17491
_cell_angle_beta 77.17491
_cell_angle_gamma 84.06661
_cell_volume 468.02400
_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 0.41850 0.58150 0.25000 1.00000
Ba2 Ba 0.58150 0.41850 0.75000 1.00000
Ba3 Ba 0.07484 0.24843 0.01169 1.00000
Ba4 Ba 0.75157 0.92516 0.48831 1.00000
Ba5 Ba 0.92516 0.75157 0.98831 1.00000
Ba6 Ba 0.24843 0.07484 0.51169 1.00000
In1 In 0.92843 0.44273 0.37918 1.00000
In2 In 0.55727 0.07157 0.12082 1.00000
In3 In 0.44273 0.92843 0.87918 1.00000
In4 In 0.07157 0.55727 0.62082 1.00000
Rh1 Rh 0.71967 0.28033 0.25000 1.00000
Rh2 Rh 0.28033 0.71967 0.75000 1.00000
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