CaDy2Rh3
Alexandria ALEXAlex-ID: agm017184491 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_251_spg43
CaDy2Rh3
2025-04-15 04:41:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017184491).
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 agm017184491
data_agm017184491
_cell_length_a 5.91853
_cell_length_b 5.91853
_cell_length_c 14.49816
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.56707
_cell_volume 478.52646
_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 0.12124 0.87876 0.08204 1.00000
Ca2 Ca 0.62124 0.37876 0.41796 1.00000
Ca3 Ca 0.37876 0.62124 0.58204 1.00000
Ca4 Ca 0.87876 0.12124 0.91796 1.00000
Dy1 Dy 0.12428 0.87572 0.74936 1.00000
Dy2 Dy 0.62428 0.37572 0.75064 1.00000
Dy3 Dy 0.12888 0.87112 0.41844 1.00000
Dy4 Dy 0.62888 0.37112 0.08156 1.00000
Dy5 Dy 0.37112 0.62888 0.91844 1.00000
Dy6 Dy 0.87112 0.12888 0.58156 1.00000
Dy7 Dy 0.37572 0.62428 0.24936 1.00000
Dy8 Dy 0.87572 0.12428 0.25064 1.00000
Rh1 Rh 0.36704 0.11793 0.58700 1.00000
Rh2 Rh 0.86704 0.61793 0.91300 1.00000
Rh3 Rh 0.38207 0.13296 0.91300 1.00000
Rh4 Rh 0.88207 0.63296 0.58700 1.00000
Rh5 Rh 0.37620 0.12380 0.25000 1.00000
Rh6 Rh 0.87620 0.62380 0.25000 1.00000
Rh7 Rh 0.12380 0.37620 0.75000 1.00000
Rh8 Rh 0.62380 0.87620 0.75000 1.00000
Rh9 Rh 0.11793 0.36704 0.41300 1.00000
Rh10 Rh 0.61793 0.86704 0.08700 1.00000
Rh11 Rh 0.13296 0.38207 0.08700 1.00000
Rh12 Rh 0.63296 0.88207 0.41300 1.00000
