Sm4RuRh
Alexandria ALEXAlex-ID: agm005802963 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1313_spg15
Sm5Rh3 Sm7Ru3
2023-07-31 05:22:50.439173
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802963).
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 agm005802963
data_agm005802963
_cell_length_a 6.41261
_cell_length_b 7.55038
_cell_length_c 8.06372
_cell_angle_alpha 113.68820
_cell_angle_beta 108.62837
_cell_angle_gamma 99.61449
_cell_volume 318.57228
_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 0.00426 0.23724 0.86846 1.00000
Sm2 Sm 0.79425 0.69118 0.64807 1.00000
Sm3 Sm 0.36420 0.63122 0.86846 1.00000
Sm4 Sm 0.35382 0.95689 0.64807 1.00000
Sm5 Sm 0.64618 0.04311 0.35193 1.00000
Sm6 Sm 0.63580 0.36878 0.13154 1.00000
Sm7 Sm 0.20575 0.30882 0.35193 1.00000
Sm8 Sm 0.99574 0.76276 0.13154 1.00000
Ru1 Ru 0.25252 0.00252 0.00504 1.00000
Ru2 Ru 0.74748 0.99748 0.99496 1.00000
Rh1 Rh 0.38630 0.63630 0.27261 1.00000
Rh2 Rh 0.61370 0.36370 0.72739 1.00000
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