K2Sm2Rh3
Alexandria ALEXAlex-ID: agm010101152 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_22_spg12
SmRh2 K SmRh
2024-07-10 05:00:34.564381
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010101152).
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
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# CIF generated by HEAS from Alexandria entry agm010101152
data_agm010101152
_cell_length_a 8.38806
_cell_length_b 8.38806
_cell_length_c 7.04989
_cell_angle_alpha 63.30978
_cell_angle_beta 63.30978
_cell_angle_gamma 28.27250
_cell_volume 208.22686
_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
K1 K 0.26445 0.26445 0.77315 1.00000
K2 K 0.73555 0.73555 0.22685 1.00000
Sm1 Sm 0.96010 0.96010 0.28374 1.00000
Sm2 Sm 0.03990 0.03990 0.71626 1.00000
Rh1 Rh 0.50000 0.50000 0.50000 1.00000
Rh2 Rh 0.43009 0.43009 0.95687 1.00000
Rh3 Rh 0.56991 0.56991 0.04313 1.00000
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