SrNi2H8Rh
Alexandria ALEXAlex-ID: agm007406036 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_351_spg12
NiH4 Sr3(H6Rh)2 Ni3H4 H8Rh3
2024-03-16 05:18:02.222051
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007406036).
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 agm007406036
data_agm007406036
_cell_length_a 4.70826
_cell_length_b 4.45462
_cell_length_c 5.40644
_cell_angle_alpha 94.34037
_cell_angle_beta 97.60366
_cell_angle_gamma 103.79626
_cell_volume 108.47290
_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
Sr1 Sr 0.00000 0.50000 0.50000 1.00000
Ni1 Ni 0.54307 0.24924 0.88559 1.00000
Ni2 Ni 0.45693 0.75076 0.11441 1.00000
H1 H 0.22894 0.90625 0.24786 1.00000
H2 H 0.48061 0.36848 0.63038 1.00000
H3 H 0.77106 0.09375 0.75214 1.00000
H4 H 0.73578 0.62808 0.99290 1.00000
H5 H 0.26422 0.37192 0.00710 1.00000
H6 H 0.28534 0.89276 0.86052 1.00000
H7 H 0.71466 0.10724 0.13948 1.00000
H8 H 0.51939 0.63152 0.36962 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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