Sm4Sb3(HRh)2
Alexandria ALEXAlex-ID: agm006569749 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_140_spg2
SmSbRh SmH2 SmSb
2024-02-27 02:46:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006569749).
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 agm006569749
data_agm006569749
_cell_length_a 5.68614
_cell_length_b 5.87056
_cell_length_c 7.34782
_cell_angle_alpha 97.82448
_cell_angle_beta 100.34396
_cell_angle_gamma 98.27162
_cell_volume 235.45159
_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 0.20334 0.62854 0.24202 1.00000
Sm2 Sm 0.61484 0.18615 0.22999 1.00000
Sm3 Sm 0.38516 0.81385 0.77001 1.00000
Sm4 Sm 0.79666 0.37146 0.75798 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Sb2 Sb 0.77667 0.77306 0.48621 1.00000
Sb3 Sb 0.22333 0.22694 0.51379 1.00000
H1 H 0.83056 0.43868 0.08299 1.00000
H2 H 0.16944 0.56132 0.91701 1.00000
Rh1 Rh 0.68114 0.67796 0.10295 1.00000
Rh2 Rh 0.31886 0.32204 0.89705 1.00000
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