Ni2H7Rh
Alexandria ALEXAlex-ID: agm006200716 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_867_spg12
Ni3H4 NiH4 H8Rh3
2023-11-24 10:26:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200716).
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 agm006200716
data_agm006200716
_cell_length_a 4.45445
_cell_length_b 4.70452
_cell_length_c 5.31670
_cell_angle_alpha 130.33483
_cell_angle_beta 53.02551
_cell_angle_gamma 114.78883
_cell_volume 67.76899
_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
H1 H 0.19245 0.90760 0.25425 1.00000
H2 H 0.72934 0.73129 0.63973 1.00000
H3 H 0.39025 0.35519 0.88187 1.00000
H4 H 0.92705 0.17418 0.19831 1.00000
H5 H 0.55796 0.79943 0.40545 1.00000
H6 H 0.51236 0.21521 0.19684 1.00000
H7 H 0.03396 0.60215 0.81634 1.00000
Rh1 Rh 0.91011 0.50558 0.15830 1.00000
Ni1 Ni 0.34402 0.98449 0.88703 1.00000
Ni2 Ni 0.63491 0.78226 0.03005 1.00000
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