Sm3Zn2Ru
Alexandria ALEXAlex-ID: agm005708209 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2056_spg62
Sm2ZnRu Sm6Zn5Ru
2023-08-25 11:34:07.059909
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708209).
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 agm005708209
data_agm005708209
_cell_length_a 4.44100
_cell_length_b 10.95934
_cell_length_c 12.14431
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 591.06875
_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 0.25000 0.38516 0.05420 1.00000
Sm2 Sm 0.75000 0.61484 0.94580 1.00000
Sm3 Sm 0.75000 0.88516 0.44580 1.00000
Sm4 Sm 0.25000 0.11484 0.55420 1.00000
Sm5 Sm 0.25000 0.71190 0.23608 1.00000
Sm6 Sm 0.75000 0.28810 0.76392 1.00000
Sm7 Sm 0.75000 0.21190 0.26392 1.00000
Sm8 Sm 0.25000 0.78810 0.73608 1.00000
Sm9 Sm 0.25000 0.44484 0.38784 1.00000
Sm10 Sm 0.75000 0.55516 0.61216 1.00000
Sm11 Sm 0.75000 0.94484 0.11216 1.00000
Sm12 Sm 0.25000 0.05516 0.88784 1.00000
Zn1 Zn 0.25000 0.70120 0.48966 1.00000
Zn2 Zn 0.75000 0.29880 0.51034 1.00000
Zn3 Zn 0.75000 0.20120 0.01034 1.00000
Zn4 Zn 0.25000 0.79880 0.98966 1.00000
Zn5 Zn 0.25000 0.00672 0.29703 1.00000
Zn6 Zn 0.75000 0.99328 0.70297 1.00000
Zn7 Zn 0.75000 0.50672 0.20297 1.00000
Zn8 Zn 0.25000 0.49328 0.79703 1.00000
Ru1 Ru 0.25000 0.13783 0.11755 1.00000
Ru2 Ru 0.75000 0.86217 0.88245 1.00000
Ru3 Ru 0.75000 0.63783 0.38245 1.00000
Ru4 Ru 0.25000 0.36217 0.61755 1.00000
