Sm4Ru2Au
Alexandria ALEXAlex-ID: agm003458166 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1155_spg5
Sm5Ru2Au SmRu2 SmAu
2022-02-19 09:52:35.767986
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458166).
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 agm003458166
data_agm003458166
_cell_length_a 7.67874
_cell_length_b 7.71274
_cell_length_c 7.68915
_cell_angle_alpha 110.33327
_cell_angle_beta 109.16997
_cell_angle_gamma 108.82420
_cell_volume 350.87632
_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 0.87801 0.23554 0.27162 1.00000
Sm2 Sm 0.28494 0.51425 0.14188 1.00000
Sm3 Sm 0.01569 0.61563 0.76558 1.00000
Sm4 Sm 0.78186 0.05840 0.61417 1.00000
Sm5 Sm 0.33883 0.09943 0.38251 1.00000
Sm6 Sm 0.40034 0.13457 0.90025 1.00000
Sm7 Sm 0.53301 0.65055 0.73914 1.00000
Sm8 Sm 0.80523 0.69114 0.22290 1.00000
Ru1 Ru 0.69304 0.37505 0.81794 1.00000
Ru2 Ru 0.49052 0.87478 0.11548 1.00000
Ru3 Ru 0.61993 0.43737 0.37477 1.00000
Ru4 Ru 0.18809 0.31291 0.68329 1.00000
Au1 Au 0.21118 0.73150 0.49054 1.00000
Au2 Au 0.00932 0.01889 0.97992 1.00000
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