CaY4Rh5
Alexandria ALEXAlex-ID: agm014583422 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_70_spg2
CaY4Rh5
2024-11-06 23:29:58.656426
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014583422).
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 agm014583422
data_agm014583422
_cell_length_a 7.68677
_cell_length_b 7.68677
_cell_length_c 5.94034
_cell_angle_alpha 74.89698
_cell_angle_beta 74.89698
_cell_angle_gamma 36.77873
_cell_volume 202.07222
_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 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.30212 0.30212 0.79952 1.00000
Y2 Y 0.09821 0.09821 0.61002 1.00000
Y3 Y 0.69788 0.69788 0.20048 1.00000
Y4 Y 0.90179 0.90179 0.38998 1.00000
Rh1 Rh 0.70382 0.70382 0.69366 1.00000
Rh2 Rh 0.89604 0.89604 0.89360 1.00000
Rh3 Rh 0.10396 0.10396 0.10640 1.00000
Rh4 Rh 0.50000 0.50000 0.50000 1.00000
Rh5 Rh 0.29618 0.29618 0.30634 1.00000
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