Nb3Rh4
Alexandria ALEXAlex-ID: agm007934652 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_213_spg2
NbRh2 NbRh
2024-03-07 05:35:57.313858
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007934652).
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 agm007934652
data_agm007934652
_cell_length_a 5.60231
_cell_length_b 6.35472
_cell_length_c 6.89491
_cell_angle_alpha 111.59129
_cell_angle_beta 91.84360
_cell_angle_gamma 103.17640
_cell_volume 220.40019
_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
Nb1 Nb 0.58040 0.29082 0.43290 1.00000
Nb2 Nb 0.13150 0.58822 0.86338 1.00000
Nb3 Nb 0.27162 0.13596 0.72722 1.00000
Nb4 Nb 0.41960 0.70918 0.56710 1.00000
Nb5 Nb 0.86850 0.41178 0.13662 1.00000
Nb6 Nb 0.72838 0.86404 0.27278 1.00000
Rh1 Rh 0.50000 0.00000 0.00000 1.00000
Rh2 Rh 0.00000 0.00000 0.00000 1.00000
Rh3 Rh 0.21905 0.86163 0.28972 1.00000
Rh4 Rh 0.91969 0.71330 0.56706 1.00000
Rh5 Rh 0.36067 0.42985 0.14340 1.00000
Rh6 Rh 0.78095 0.13837 0.71028 1.00000
Rh7 Rh 0.08031 0.28670 0.43294 1.00000
Rh8 Rh 0.63933 0.57015 0.85660 1.00000
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