NiH3Rh
Alexandria ALEXAlex-ID: agm006704236 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_676_spg12
H8Rh3 NiH Rh
2024-02-24 09:57:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006704236).
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 agm006704236
data_agm006704236
_cell_length_a 5.18348
_cell_length_b 5.18348
_cell_length_c 5.77189
_cell_angle_alpha 65.15817
_cell_angle_beta 65.15817
_cell_angle_gamma 32.84249
_cell_volume 75.60977
_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
Ni1 Ni 0.78401 0.78401 0.14593 1.00000
Ni2 Ni 0.21599 0.21599 0.85407 1.00000
H1 H 0.61830 0.61830 0.40092 1.00000
H2 H 0.38170 0.38170 0.59908 1.00000
H3 H 0.36828 0.36828 0.07949 1.00000
H4 H 0.63172 0.63172 0.92051 1.00000
H5 H 0.87387 0.87387 0.34214 1.00000
H6 H 0.12613 0.12613 0.65786 1.00000
Rh1 Rh 0.48725 0.48725 0.26030 1.00000
Rh2 Rh 0.51275 0.51275 0.73970 1.00000
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