Nd6Ru2Rh
Alexandria ALEXAlex-ID: agm005662900 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1033_spg15
Nd3Rh2 NdRu2 Nd7Ru3
2023-07-09 08:10:22.130365
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662900).
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 agm005662900
data_agm005662900
_cell_length_a 6.42094
_cell_length_b 9.29739
_cell_length_c 9.29739
_cell_angle_alpha 68.74560
_cell_angle_beta 74.94879
_cell_angle_gamma 74.94879
_cell_volume 491.01265
_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 0.34118 0.67457 0.53410 1.00000
Nd2 Nd 0.15882 0.46590 0.32543 1.00000
Nd3 Nd 0.65882 0.32543 0.46590 1.00000
Nd4 Nd 0.84118 0.53410 0.67457 1.00000
Nd5 Nd 0.80365 0.93192 0.42129 1.00000
Nd6 Nd 0.69635 0.57871 0.06808 1.00000
Nd7 Nd 0.19635 0.06808 0.57871 1.00000
Nd8 Nd 0.30365 0.42129 0.93192 1.00000
Nd9 Nd 0.11818 0.81187 0.99446 1.00000
Nd10 Nd 0.38182 0.00554 0.18813 1.00000
Nd11 Nd 0.88182 0.18813 0.00554 1.00000
Nd12 Nd 0.61818 0.99446 0.81187 1.00000
Ru1 Ru 0.98250 0.75213 0.76328 1.00000
Ru2 Ru 0.51750 0.23672 0.24787 1.00000
Ru3 Ru 0.01750 0.24787 0.23672 1.00000
Ru4 Ru 0.48250 0.76328 0.75213 1.00000
Rh1 Rh 0.25000 0.29526 0.70474 1.00000
Rh2 Rh 0.75000 0.70474 0.29526 1.00000
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