Sm2Y2ThRh2
Alexandria ALEXAlex-ID: agm017695294 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_13_spg12
Y5Rh2 Sm3Rh Sm ThRh
2025-04-19 12:38:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017695294).
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 agm017695294
data_agm017695294
_cell_length_a 6.45972
_cell_length_b 6.45972
_cell_length_c 9.04365
_cell_angle_alpha 63.92795
_cell_angle_beta 116.07205
_cell_angle_gamma 145.51705
_cell_volume 189.68748
_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
Sm1 Sm 0.34006 0.65994 0.19051 1.00000
Sm2 Sm 0.65994 0.34006 0.80949 1.00000
Y1 Y 0.11961 0.88039 0.44148 1.00000
Y2 Y 0.88039 0.11961 0.55852 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.66154 0.33846 0.22526 1.00000
Rh2 Rh 0.33846 0.66154 0.77474 1.00000
Get direct link