Ho2ThRh3
Alexandria ALEXAlex-ID: agm017066795 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4717_spg14
HoThRh2 HoRh
2025-04-14 07:46:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017066795).
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 agm017066795
data_agm017066795
_cell_length_a 5.73150
_cell_length_b 7.14561
_cell_length_c 13.41497
_cell_angle_alpha 90.75363
_cell_angle_beta 90.90961
_cell_angle_gamma 108.46287
_cell_volume 520.97066
_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
Ho1 Ho 0.27342 0.65282 0.71986 1.00000
Ho2 Ho 0.22348 0.13741 0.77759 1.00000
Ho3 Ho 0.17285 0.62004 0.10500 1.00000
Ho4 Ho 0.17009 0.11133 0.40559 1.00000
Ho5 Ho 0.82991 0.88867 0.59441 1.00000
Ho6 Ho 0.82715 0.37996 0.89500 1.00000
Ho7 Ho 0.77652 0.86259 0.22241 1.00000
Ho8 Ho 0.72658 0.34718 0.28014 1.00000
Th1 Th 0.30101 0.64239 0.41665 1.00000
Th2 Th 0.30249 0.15161 0.05831 1.00000
Th3 Th 0.69751 0.84839 0.94169 1.00000
Th4 Th 0.69899 0.35761 0.58335 1.00000
Rh1 Rh 0.17812 0.81843 0.91461 1.00000
Rh2 Rh 0.17671 0.32345 0.58246 1.00000
Rh3 Rh 0.35120 0.96867 0.58555 1.00000
Rh4 Rh 0.35343 0.46651 0.90853 1.00000
Rh5 Rh 0.32012 0.94652 0.23820 1.00000
Rh6 Rh 0.23088 0.35401 0.24557 1.00000
Rh7 Rh 0.76912 0.64599 0.75443 1.00000
Rh8 Rh 0.67988 0.05348 0.76180 1.00000
Rh9 Rh 0.64657 0.53349 0.09147 1.00000
Rh10 Rh 0.64880 0.03133 0.41445 1.00000
Rh11 Rh 0.82329 0.67655 0.41754 1.00000
Rh12 Rh 0.82188 0.18157 0.08539 1.00000
