Nd3Sb4Rh3
Alexandria ALEXAlex-ID: agm005682525 · Space group: I-43d (#220)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C4_1_spg220
Nd(SbRh)2 NdSb Nd4Sb6Rh7
2023-06-29 09:00:14.769559
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682525).
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 agm005682525
data_agm005682525
_cell_length_a 8.56012
_cell_length_b 8.56012
_cell_length_c 8.56012
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 482.85593
_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
Nd1 Nd 0.62500 0.75000 0.87500 1.00000
Nd2 Nd 0.87500 0.25000 0.62500 1.00000
Nd3 Nd 0.12500 0.37500 0.25000 1.00000
Nd4 Nd 0.37500 0.12500 0.75000 1.00000
Nd5 Nd 0.25000 0.87500 0.12500 1.00000
Nd6 Nd 0.75000 0.62500 0.37500 1.00000
Sb1 Sb 1.00000 1.00000 0.34763 1.00000
Sb2 Sb 0.50000 0.34763 0.50000 1.00000
Sb3 Sb 0.65237 0.15237 0.15237 1.00000
Sb4 Sb 1.00000 1.00000 0.84763 1.00000
Sb5 Sb 0.84763 0.50000 0.00000 1.00000
Sb6 Sb 0.50000 0.84763 0.50000 1.00000
Sb7 Sb 0.34763 0.50000 0.00000 1.00000
Sb8 Sb 0.15237 0.65237 0.65237 1.00000
Rh1 Rh 0.12500 0.75000 0.37500 1.00000
Rh2 Rh 0.37500 0.25000 0.12500 1.00000
Rh3 Rh 0.62500 0.87500 0.25000 1.00000
Rh4 Rh 0.87500 0.62500 0.75000 1.00000
Rh5 Rh 0.25000 0.37500 0.62500 1.00000
Rh6 Rh 0.75000 0.12500 0.87500 1.00000
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