Ho5(RhS)2
Alexandria ALEXAlex-ID: agm008965833 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_59_spg64
Ho5Rh3 HoRh HoS
2024-06-27 20:07:46.555269
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008965833).
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 agm008965833
data_agm008965833
_cell_length_a 8.17032
_cell_length_b 8.17032
_cell_length_c 7.44124
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 125.98064
_cell_volume 401.96504
_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 0.00000 0.00000 0.50000 1.00000
Ho2 Ho 0.50000 0.50000 0.00000 1.00000
Ho3 Ho 0.79729 0.53152 0.65448 1.00000
Ho4 Ho 0.46848 0.20271 0.34552 1.00000
Ho5 Ho 0.96848 0.70271 0.15448 1.00000
Ho6 Ho 0.29729 0.03152 0.84552 1.00000
Ho7 Ho 0.20271 0.46848 0.34552 1.00000
Ho8 Ho 0.53152 0.79729 0.65448 1.00000
Ho9 Ho 0.03152 0.29729 0.84552 1.00000
Ho10 Ho 0.70271 0.96848 0.15448 1.00000
Rh1 Rh 0.86004 0.86004 0.86296 1.00000
Rh2 Rh 0.13996 0.13996 0.13704 1.00000
Rh3 Rh 0.63996 0.63996 0.36296 1.00000
Rh4 Rh 0.36004 0.36004 0.63704 1.00000
S1 S 0.20475 0.79525 0.50000 1.00000
S2 S 0.70475 0.29525 0.00000 1.00000
S3 S 0.79525 0.20475 0.50000 1.00000
S4 S 0.29525 0.70475 0.00000 1.00000
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