SmAs2RuRh
Alexandria ALEXAlex-ID: agm005020189 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1563_spg119
Sm(As2Ru3)2 As2Ru Sm7As12Rh17 SmAs
2022-07-03 21:38:16.346093
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005020189).
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 agm005020189
data_agm005020189
_cell_length_a 4.13717
_cell_length_b 4.13717
_cell_length_c 6.04493
_cell_angle_alpha 110.01106
_cell_angle_beta 110.01106
_cell_angle_gamma 90.00000
_cell_volume 90.54311
_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 0.00000 0.00000 0.00000 1.00000
As1 As 0.62299 0.62299 0.24598 1.00000
As2 As 0.37701 0.37701 0.75402 1.00000
Ru1 Ru 0.75000 0.25000 0.50000 1.00000
Rh1 Rh 0.25000 0.75000 0.50000 1.00000
