Sm2(NpRh)3
Alexandria ALEXAlex-ID: agm009727782 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_1803_spg2
NpRh Np SmRh
2024-06-01 14:18:18.855295
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009727782).
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 agm009727782
data_agm009727782
_cell_length_a 5.40692
_cell_length_b 5.48885
_cell_length_c 6.47174
_cell_angle_alpha 111.54935
_cell_angle_beta 105.87322
_cell_angle_gamma 78.30776
_cell_volume 170.70486
_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 0.46535 0.73742 0.24823 1.00000
Sm2 Sm 0.53465 0.26258 0.75177 1.00000
Np1 Np 0.03507 0.31737 0.32797 1.00000
Np2 Np 0.96493 0.68263 0.67203 1.00000
Np3 Np 0.00000 0.00000 0.50000 1.00000
Rh1 Rh 0.50773 0.20735 0.20398 1.00000
Rh2 Rh 0.00000 0.50000 0.00000 1.00000
Rh3 Rh 0.49227 0.79265 0.79602 1.00000
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