Np2ScRh6
Alexandria ALEXAlex-ID: agm012199363 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_343_spg12
NpRh3 ScRh NpRh
2024-06-01 15:16:45.611576
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012199363).
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 agm012199363
data_agm012199363
_cell_length_a 5.39716
_cell_length_b 5.39716
_cell_length_c 5.39716
_cell_angle_alpha 91.92779
_cell_angle_beta 91.92779
_cell_angle_gamma 91.92779
_cell_volume 156.94227
_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
Np1 Np 0.34197 0.34197 0.34197 1.00000
Np2 Np 0.65803 0.65803 0.65803 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.50000 0.83548 0.16452 1.00000
Rh2 Rh 0.83548 0.16452 0.50000 1.00000
Rh3 Rh 0.50000 0.16452 0.83548 1.00000
Rh4 Rh 0.83548 0.50000 0.16452 1.00000
Rh5 Rh 0.16452 0.83548 0.50000 1.00000
Rh6 Rh 0.16452 0.50000 0.83548 1.00000
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