Np6Cu3Sb8Rh3
Alexandria ALEXAlex-ID: agm016781237 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C6D8_0_spg5
Np4Sb5 NpCuSb2 NpSbRh Cu
2024-12-17 15:30:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016781237).
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 agm016781237
data_agm016781237
_cell_length_a 8.35551
_cell_length_b 8.35551
_cell_length_c 9.53857
_cell_angle_alpha 54.95676
_cell_angle_beta 125.04324
_cell_angle_gamma 109.78153
_cell_volume 446.33626
_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 0.63379 0.87366 0.62339 1.00000
Np2 Np 0.87366 0.63379 0.37661 1.00000
Np3 Np 0.36908 0.36908 0.50000 1.00000
Np4 Np 0.12982 0.12982 0.00000 1.00000
Np5 Np 0.75511 0.24297 0.12671 1.00000
Np6 Np 0.24297 0.75511 0.87329 1.00000
Cu1 Cu 0.62368 0.62368 0.00000 1.00000
Cu2 Cu 0.75051 0.24956 0.62599 1.00000
Cu3 Cu 0.24956 0.75051 0.37401 1.00000
Sb1 Sb 0.50633 0.33646 0.25292 1.00000
Sb2 Sb 0.17793 0.99886 0.41971 1.00000
Sb3 Sb 0.99886 0.17793 0.58029 1.00000
Sb4 Sb 0.33646 0.50633 0.74708 1.00000
Sb5 Sb 0.66643 0.99529 0.91378 1.00000
Sb6 Sb 0.49673 0.82652 0.25237 1.00000
Sb7 Sb 0.99529 0.66643 0.08622 1.00000
Sb8 Sb 0.82652 0.49673 0.74763 1.00000
Rh1 Rh 0.12664 0.37942 0.12334 1.00000
Rh2 Rh 0.37942 0.12664 0.87666 1.00000
Rh3 Rh 0.87738 0.87738 0.50000 1.00000
