CaY2Rh3
Alexandria ALEXAlex-ID: agm017377303 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1177_spg12
CaY4Rh5 CaYRh4 Ca5Rh2
2025-04-15 04:33:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017377303).
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 agm017377303
data_agm017377303
_cell_length_a 7.76851
_cell_length_b 7.76851
_cell_length_c 6.72753
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.30552
_cell_volume 242.60693
_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 0.33060 0.66940 0.50000 1.00000
Ca2 Ca 0.66940 0.33060 0.50000 1.00000
Y1 Y 0.00000 0.00000 0.50000 1.00000
Y2 Y 0.00000 0.00000 0.00000 1.00000
Y3 Y 0.33341 0.66659 0.00000 1.00000
Y4 Y 0.66659 0.33341 0.00000 1.00000
Rh1 Rh 0.83681 0.16319 0.23927 1.00000
Rh2 Rh 0.50000 0.50000 0.75433 1.00000
Rh3 Rh 0.16319 0.83681 0.76073 1.00000
Rh4 Rh 0.83681 0.16319 0.76073 1.00000
Rh5 Rh 0.16319 0.83681 0.23927 1.00000
Rh6 Rh 0.50000 0.50000 0.24567 1.00000
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