PrSm4(GeRu)10
Alexandria ALEXAlex-ID: agm021000031 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10D10_0_spg139
Sm(GeRu)2 Pr(GeRu)2
2025-01-04 13:06:23.915857
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021000031).
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 agm021000031
data_agm021000031
_cell_length_a 25.32040
_cell_length_b 25.32040
_cell_length_c 25.32040
_cell_angle_alpha 170.29825
_cell_angle_beta 170.29825
_cell_angle_gamma 13.73684
_cell_volume 460.99976
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.60049 0.60049 0.00000 1.00000
Sm2 Sm 0.20016 0.20016 0.00000 1.00000
Sm3 Sm 0.79984 0.79984 0.00000 1.00000
Sm4 Sm 0.39951 0.39951 0.00000 1.00000
Ge1 Ge 0.52691 0.52691 0.00000 1.00000
Ge2 Ge 0.12676 0.12676 0.00000 1.00000
Ge3 Ge 0.72634 0.72634 0.00000 1.00000
Ge4 Ge 0.32590 0.32590 0.00000 1.00000
Ge5 Ge 0.92555 0.92555 0.00000 1.00000
Ge6 Ge 0.07445 0.07445 0.00000 1.00000
Ge7 Ge 0.67410 0.67410 0.00000 1.00000
Ge8 Ge 0.27366 0.27366 0.00000 1.00000
Ge9 Ge 0.87324 0.87324 0.00000 1.00000
Ge10 Ge 0.47309 0.47309 0.00000 1.00000
Ru1 Ru 0.55079 0.05079 0.50000 1.00000
Ru2 Ru 0.15043 0.65043 0.50000 1.00000
Ru3 Ru 0.75000 0.25000 0.50000 1.00000
Ru4 Ru 0.34957 0.84957 0.50000 1.00000
Ru5 Ru 0.94921 0.44921 0.50000 1.00000
Ru6 Ru 0.05079 0.55079 0.50000 1.00000
Ru7 Ru 0.65043 0.15043 0.50000 1.00000
Ru8 Ru 0.25000 0.75000 0.50000 1.00000
Ru9 Ru 0.84957 0.34957 0.50000 1.00000
Ru10 Ru 0.44921 0.94921 0.50000 1.00000
