Sc2H8Rh3
Alexandria ALEXAlex-ID: agm006350004 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_287_spg12
ScH11Rh5 ScH3Rh
2024-02-25 04:23:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006350004).
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 agm006350004
data_agm006350004
_cell_length_a 5.25458
_cell_length_b 5.25458
_cell_length_c 4.91611
_cell_angle_alpha 72.94282
_cell_angle_beta 72.94282
_cell_angle_gamma 63.76878
_cell_volume 114.26250
_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
Sc1 Sc 0.29990 0.29990 0.18639 1.00000
Sc2 Sc 0.70010 0.70010 0.81361 1.00000
H1 H 0.63370 0.63370 0.44122 1.00000
H2 H 0.36630 0.36630 0.55878 1.00000
H3 H 0.11092 0.11092 0.61337 1.00000
H4 H 0.88908 0.88908 0.38663 1.00000
H5 H 0.10086 0.67237 0.88619 1.00000
H6 H 0.67237 0.10086 0.88619 1.00000
H7 H 0.32763 0.89914 0.11381 1.00000
H8 H 0.89914 0.32763 0.11381 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Rh2 Rh 0.74598 0.25402 0.50000 1.00000
Rh3 Rh 0.25402 0.74598 0.50000 1.00000
Get direct link