SmZrRh
Alexandria ALEXAlex-ID: agm005677780 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7266_spg189
Zr2Rh Sm7Rh3 Sm5Rh3
2023-06-18 15:46:22.675483
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677780).
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 agm005677780
data_agm005677780
_cell_length_a 7.07115
_cell_length_b 8.54550
_cell_length_c 8.54550
_cell_angle_alpha 67.87857
_cell_angle_beta 65.56030
_cell_angle_gamma 65.56031
_cell_volume 414.63319
_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 0.16435 0.04466 0.54466 1.00000
Sm2 Sm 0.75368 0.95534 0.45534 1.00000
Sm3 Sm 0.34283 0.74991 0.24991 1.00000
Sm4 Sm 0.34264 0.25009 0.75009 1.00000
Sm5 Sm 0.75382 0.45528 0.95528 1.00000
Sm6 Sm 0.16439 0.54472 0.04472 1.00000
Zr1 Zr 0.00928 1.00000 1.00000 1.00000
Zr2 Zr 0.00928 0.50000 0.50000 1.00000
Zr3 Zr 0.75336 0.37221 0.37230 1.00000
Zr4 Zr 0.49788 0.62779 0.62770 1.00000
Zr5 Zr 0.49788 0.12770 0.12779 1.00000
Zr6 Zr 0.75336 0.87230 0.87221 1.00000
Rh1 Rh 0.75252 0.24997 0.74997 1.00000
Rh2 Rh 0.75247 0.75003 0.25003 1.00000
Rh3 Rh 0.08641 0.16649 0.16660 1.00000
Rh4 Rh 0.41951 0.83351 0.83340 1.00000
Rh5 Rh 0.41951 0.33340 0.33351 1.00000
Rh6 Rh 0.08642 0.66660 0.66649 1.00000
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