Ba3(Cd2Rh)2
Alexandria ALEXAlex-ID: agm005672544 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_33_spg2
Ba2Cd2Rh BaCd2Rh
2023-06-28 01:20:03.007263
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672544).
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 agm005672544
data_agm005672544
_cell_length_a 4.60415
_cell_length_b 6.80356
_cell_length_c 10.11750
_cell_angle_alpha 67.83727
_cell_angle_beta 76.84808
_cell_angle_gamma 70.22281
_cell_volume 274.37787
_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 0.31323 0.73887 0.63468 1.00000
Ba2 Ba 0.00000 0.00000 0.00000 1.00000
Ba3 Ba 0.68677 0.26113 0.36532 1.00000
Cd1 Cd 0.27481 0.37265 0.07773 1.00000
Cd2 Cd 0.72519 0.62735 0.92227 1.00000
Cd3 Cd 0.03214 0.29568 0.64003 1.00000
Cd4 Cd 0.96786 0.70432 0.35997 1.00000
Rh1 Rh 0.38726 0.95503 0.27046 1.00000
Rh2 Rh 0.61274 0.04497 0.72954 1.00000
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