NdH6Ru
Alexandria ALEXAlex-ID: agm083409529 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_175_spg121
NdH5Ru H2
2025-06-27 11:10:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm083409529).
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 agm083409529
data_agm083409529
_cell_length_a 3.73737
_cell_length_b 3.75228
_cell_length_c 5.23146
_cell_angle_alpha 90.01389
_cell_angle_beta 69.07283
_cell_angle_gamma 90.00008
_cell_volume 68.52478
_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 0.62246 0.56263 0.31757 1.00000
H1 H 0.46894 0.06270 0.62466 1.00000
H2 H 0.11559 0.06244 0.33142 1.00000
H3 H 0.78860 0.06253 0.98525 1.00000
H4 H 0.29103 0.56252 0.98039 1.00000
H5 H 0.96191 0.66688 0.63867 1.00000
H6 H 0.96210 0.45777 0.63831 1.00000
Ru1 Ru 0.28937 0.06254 0.98373 1.00000
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