Nd2Ru3Pt
Alexandria ALEXAlex-ID: agm032652995 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_656_spg166
NdRu2 Ru NdPt
2025-04-14 06:35:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032652995).
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 agm032652995
data_agm032652995
_cell_length_a 5.34494
_cell_length_b 5.34494
_cell_length_c 5.55748
_cell_angle_alpha 61.21585
_cell_angle_beta 118.78415
_cell_angle_gamma 120.07217
_cell_volume 114.22052
_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 0.62114 0.37886 0.36369 1.00000
Nd2 Nd 0.37886 0.62114 0.63631 1.00000
Ru1 Ru 0.50000 0.00000 0.00000 1.00000
Ru2 Ru 0.00000 0.00000 0.00000 1.00000
Ru3 Ru 0.00000 0.50000 0.00000 1.00000
Pt1 Pt 0.00000 0.00000 0.50000 1.00000
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