BaCd3Rh
Alexandria ALEXAlex-ID: agm003136128 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_3784_spg15
Ba3Cd11 BaCd2 BaCd3Rh2
2016-06-05 00:39:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003136128).
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 agm003136128
data_agm003136128
_cell_length_a 13.65135
_cell_length_b 9.09268
_cell_length_c 9.09268
_cell_angle_alpha 89.16795
_cell_angle_beta 128.25994
_cell_angle_gamma 51.74006
_cell_volume 531.49801
_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 0.75000 0.11250 0.61250 1.00000
Rh2 Rh 0.25000 0.88750 0.38750 1.00000
Rh3 Rh 0.75000 0.47883 0.97883 1.00000
Rh4 Rh 0.25000 0.52117 0.02117 1.00000
Ba1 Ba 0.43351 0.03831 0.62124 1.00000
Ba2 Ba 0.06649 0.12124 0.53831 1.00000
Ba3 Ba 0.56649 0.96169 0.37876 1.00000
Ba4 Ba 0.93351 0.87876 0.46169 1.00000
Cd1 Cd 0.38518 0.46858 0.43380 1.00000
Cd2 Cd 0.11482 0.93380 0.96858 1.00000
Cd3 Cd 0.61482 0.53142 0.56620 1.00000
Cd4 Cd 0.88518 0.06620 0.03142 1.00000
Cd5 Cd 0.01464 0.31821 0.00173 1.00000
Cd6 Cd 0.48536 0.50173 0.81821 1.00000
Cd7 Cd 0.98536 0.68179 0.99827 1.00000
Cd8 Cd 0.51464 0.49827 0.18179 1.00000
Cd9 Cd 0.91913 0.58781 0.23420 1.00000
Cd10 Cd 0.58087 0.73420 0.08781 1.00000
Cd11 Cd 0.08087 0.41219 0.76580 1.00000
Cd12 Cd 0.41913 0.26580 0.91219 1.00000
