Nd(H2Rh)3
Alexandria ALEXAlex-ID: agm006097005 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_954_spg8
NdH6Rh Rh
2023-07-10 10:54:29.742459
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006097005).
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 agm006097005
data_agm006097005
_cell_length_a 5.03997
_cell_length_b 5.04496
_cell_length_c 5.04527
_cell_angle_alpha 87.29028
_cell_angle_beta 121.50129
_cell_angle_gamma 121.50002
_cell_volume 88.65011
_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 0.81504 0.90765 0.70766 1.00000
H1 H 0.23556 0.41176 0.62293 1.00000
H2 H 0.23549 0.82286 0.21173 1.00000
H3 H 0.80227 0.02611 0.18344 1.00000
H4 H 0.18743 0.80732 0.60730 1.00000
H5 H 0.80233 0.38346 0.82616 1.00000
H6 H 0.46628 0.41422 0.21432 1.00000
Rh1 Rh 0.83732 0.41786 0.21772 1.00000
Rh2 Rh 0.30915 0.65277 0.95590 1.00000
Rh3 Rh 0.30912 0.15600 0.45283 1.00000
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