Sm2PaRh2
Alexandria ALEXAlex-ID: agm034354712 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_193_spg69
Sm2PaRh2
2024-08-04 18:33:32.934543
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034354712).
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 agm034354712
data_agm034354712
_cell_length_a 6.19854
_cell_length_b 6.19854
_cell_length_c 6.19854
_cell_angle_alpha 144.32692
_cell_angle_beta 116.69868
_cell_angle_gamma 74.83165
_cell_volume 121.61213
_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 0.80360 0.80360 0.00000 1.00000
Sm2 Sm 0.19640 0.19640 0.00000 1.00000
Pa1 Pa 0.50000 0.00000 0.50000 1.00000
Rh1 Rh 0.77882 0.50000 0.27882 1.00000
Rh2 Rh 0.22118 0.50000 0.72118 1.00000
Get direct link