NdHf(H3Ru)2
Alexandria ALEXAlex-ID: agm007683099 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_392_spg2
HfH3Ru NdH5Ru HfRu
2024-03-15 23:53:04.993539
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007683099).
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 agm007683099
data_agm007683099
_cell_length_a 4.65208
_cell_length_b 4.55479
_cell_length_c 6.29156
_cell_angle_alpha 69.25673
_cell_angle_beta 67.02111
_cell_angle_gamma 59.56070
_cell_volume 103.74338
_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 0.50000 0.50000 0.50000 1.00000
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
H1 H 0.59471 0.15440 0.86357 1.00000
H2 H 0.57228 0.07377 0.31033 1.00000
H3 H 0.95852 0.41949 0.68559 1.00000
H4 H 0.40529 0.84560 0.13643 1.00000
H5 H 0.42772 0.92623 0.68967 1.00000
H6 H 0.04148 0.58051 0.31441 1.00000
Ru1 Ru 0.28700 0.28708 0.13565 1.00000
Ru2 Ru 0.71300 0.71292 0.86435 1.00000
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