NdH5Ru
Alexandria ALEXAlex-ID: agm006649799 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_570_spg15
NdH5Ru
2024-05-14 00:13:52.253514
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006649799).
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 agm006649799
data_agm006649799
_cell_length_a 4.97492
_cell_length_b 4.97492
_cell_length_c 6.40100
_cell_angle_alpha 87.71251
_cell_angle_beta 87.71251
_cell_angle_gamma 120.38298
_cell_volume 136.22500
_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 0.34126 0.65874 0.25000 1.00000
Nd2 Nd 0.65874 0.34126 0.75000 1.00000
H1 H 0.72923 0.61675 0.04758 1.00000
H2 H 0.13888 0.75948 0.56453 1.00000
H3 H 0.61675 0.72923 0.54758 1.00000
H4 H 0.07450 0.92550 0.25000 1.00000
H5 H 0.24052 0.86112 0.93547 1.00000
H6 H 0.75948 0.13888 0.06453 1.00000
H7 H 0.92550 0.07450 0.75000 1.00000
H8 H 0.38325 0.27077 0.45242 1.00000
H9 H 0.86112 0.24052 0.43547 1.00000
H10 H 0.27077 0.38325 0.95242 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.00000 0.00000 0.50000 1.00000
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