CaCe(B2Rh3)2
Alexandria ALEXAlex-ID: agm022063322 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D6_60_spg47
Ce2(B2Rh3)3 CeBRh3 Ca5(B5Rh7)2 Ce2B10Rh
2024-12-25 17:54:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022063322).
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 agm022063322
data_agm022063322
_cell_length_a 2.97680
_cell_length_b 5.58377
_cell_length_c 9.67693
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 160.84725
_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
Ca1 Ca 0.00000 0.50000 0.50000 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
B1 B 0.00000 0.50000 0.83353 1.00000
B2 B 0.00000 0.00000 0.33357 1.00000
B3 B 0.00000 0.00000 0.66643 1.00000
B4 B 0.00000 0.50000 0.16647 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
Rh2 Rh 0.50000 0.00000 0.50000 1.00000
Rh3 Rh 0.50000 0.75085 0.75113 1.00000
Rh4 Rh 0.50000 0.24915 0.24887 1.00000
Rh5 Rh 0.50000 0.24915 0.75113 1.00000
Rh6 Rh 0.50000 0.75085 0.24887 1.00000
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