NiH7Rh2
Alexandria ALEXAlex-ID: agm006200714 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_835_spg1
Ni3H4 NiH4 H8Rh3
2023-11-25 01:56:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200714).
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 agm006200714
data_agm006200714
_cell_length_a 4.06344
_cell_length_b 5.07538
_cell_length_c 5.04605
_cell_angle_alpha 132.99894
_cell_angle_beta 65.64839
_cell_angle_gamma 112.37985
_cell_volume 68.56170
_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 0.44610 0.68264 0.70520 1.00000
H2 H 0.97521 0.70029 0.68646 1.00000
H3 H 0.20258 0.45931 0.97246 1.00000
H4 H 0.95006 0.20211 0.22797 1.00000
H5 H 0.72759 0.93937 0.45677 1.00000
H6 H 0.44903 0.20209 0.22420 1.00000
H7 H 0.72588 0.42642 0.94112 1.00000
Rh1 Rh 0.33781 0.07674 0.84655 1.00000
Rh2 Rh 0.59545 0.80934 0.07660 1.00000
Ni1 Ni 0.82270 0.55908 0.33084 1.00000
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