Ni7H5Rh
Alexandria ALEXAlex-ID: agm007340596 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_58_spg1
Ni NiH Rh
2024-06-04 04:00:07.073509
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007340596).
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 agm007340596
data_agm007340596
_cell_length_a 4.68778
_cell_length_b 4.68778
_cell_length_c 17.93128
_cell_angle_alpha 76.58442
_cell_angle_beta 76.58442
_cell_angle_gamma 32.47193
_cell_volume 205.28723
_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 0.35958 0.35958 0.21741 1.00000
Ni2 Ni 0.64042 0.64042 0.78259 1.00000
Ni3 Ni 0.19168 0.19168 0.44914 1.00000
Ni4 Ni 0.80832 0.80832 0.55086 1.00000
Ni5 Ni 0.37817 0.37817 0.96805 1.00000
Ni6 Ni 0.62183 0.62183 0.03195 1.00000
Ni7 Ni 0.85811 0.85811 0.33355 1.00000
Ni8 Ni 0.14189 0.14189 0.66645 1.00000
Ni9 Ni 0.89098 0.89098 0.84203 1.00000
Ni10 Ni 0.10902 0.10902 0.15797 1.00000
Ni11 Ni 0.47046 0.47046 0.42980 1.00000
Ni12 Ni 0.52954 0.52954 0.57020 1.00000
Ni13 Ni 0.13725 0.13725 0.90449 1.00000
Ni14 Ni 0.86275 0.86275 0.09551 1.00000
H1 H 0.00000 0.00000 0.50000 1.00000
H2 H 0.16744 0.16744 0.56290 1.00000
H3 H 0.83256 0.83256 0.43710 1.00000
H4 H 0.48893 0.48893 0.12480 1.00000
H5 H 0.51107 0.51107 0.87520 1.00000
H6 H 0.00000 0.00000 0.00000 1.00000
H7 H 0.24489 0.24489 0.06500 1.00000
H8 H 0.75511 0.75511 0.93500 1.00000
H9 H 0.34435 0.34435 0.62232 1.00000
H10 H 0.65565 0.65565 0.37768 1.00000
Rh1 Rh 0.61218 0.61218 0.27980 1.00000
Rh2 Rh 0.38782 0.38782 0.72020 1.00000
