CaHo2Rh3
Alexandria ALEXAlex-ID: agm034814733 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4629_spg15
CaHo2Rh3
2024-10-15 20:20:52.590511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034814733).
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 agm034814733
data_agm034814733
_cell_length_a 7.61763
_cell_length_b 7.61763
_cell_length_c 8.37085
_cell_angle_alpha 89.81683
_cell_angle_beta 89.81683
_cell_angle_gamma 78.70200
_cell_volume 476.32950
_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 0.29800 0.54074 0.41203 1.00000
Ca2 Ca 0.70200 0.45926 0.58797 1.00000
Ca3 Ca 0.54074 0.29800 0.91203 1.00000
Ca4 Ca 0.45926 0.70200 0.08797 1.00000
Ho1 Ho 0.37657 0.12500 0.24210 1.00000
Ho2 Ho 0.79033 0.04575 0.42088 1.00000
Ho3 Ho 0.20967 0.95425 0.57912 1.00000
Ho4 Ho 0.62343 0.87500 0.75790 1.00000
Ho5 Ho 0.12500 0.37657 0.74210 1.00000
Ho6 Ho 0.04575 0.79033 0.92088 1.00000
Ho7 Ho 0.95425 0.20967 0.07912 1.00000
Ho8 Ho 0.87500 0.62343 0.25790 1.00000
Rh1 Rh 0.04462 0.28382 0.41143 1.00000
Rh2 Rh 0.54703 0.80542 0.42174 1.00000
Rh3 Rh 0.95538 0.71618 0.58857 1.00000
Rh4 Rh 0.45297 0.19458 0.57826 1.00000
Rh5 Rh 0.88522 0.11478 0.75000 1.00000
Rh6 Rh 0.36241 0.63759 0.75000 1.00000
Rh7 Rh 0.28382 0.04462 0.91143 1.00000
Rh8 Rh 0.80542 0.54703 0.92174 1.00000
Rh9 Rh 0.71618 0.95538 0.08857 1.00000
Rh10 Rh 0.19458 0.45297 0.07826 1.00000
Rh11 Rh 0.11478 0.88522 0.25000 1.00000
Rh12 Rh 0.63759 0.36241 0.25000 1.00000
