Nb4Pt3Rh2
Alexandria ALEXAlex-ID: agm005653768 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_847_spg12
Nb6Pt5Rh Nb2PtRh5 NbRh3
2023-06-27 11:37:37.751239
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653768).
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 agm005653768
data_agm005653768
_cell_length_a 3.96296
_cell_length_b 4.93081
_cell_length_c 8.59733
_cell_angle_alpha 73.06815
_cell_angle_beta 76.67489
_cell_angle_gamma 66.30570
_cell_volume 145.92752
_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 0.67062 0.55216 0.10659 1.00000
Nb2 Nb 0.01275 0.30625 0.66825 1.00000
Nb3 Nb 0.98725 0.69375 0.33175 1.00000
Nb4 Nb 0.32938 0.44784 0.89341 1.00000
Pt1 Pt 0.33505 0.77109 0.55882 1.00000
Pt2 Pt 0.00000 0.00000 0.00000 1.00000
Pt3 Pt 0.66495 0.22891 0.44118 1.00000
Rh1 Rh 0.33406 0.11264 0.21925 1.00000
Rh2 Rh 0.66594 0.88736 0.78075 1.00000
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