InNi(H3Rh)2
Alexandria ALEXAlex-ID: agm007459876 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_13_spg15
In(H4Rh)2 NiH InRh H8Rh3
2024-03-26 06:37:43.393191
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007459876).
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 agm007459876
data_agm007459876
_cell_length_a 6.22449
_cell_length_b 6.22449
_cell_length_c 4.59004
_cell_angle_alpha 79.07316
_cell_angle_beta 79.07316
_cell_angle_gamma 97.94262
_cell_volume 168.62852
_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
In1 In 0.77590 0.22410 0.75000 1.00000
In2 In 0.22410 0.77590 0.25000 1.00000
Ni1 Ni 0.41247 0.58753 0.75000 1.00000
Ni2 Ni 0.58753 0.41247 0.25000 1.00000
H1 H 0.50180 0.87205 0.71080 1.00000
H2 H 0.12795 0.49820 0.78920 1.00000
H3 H 0.49820 0.12795 0.28920 1.00000
H4 H 0.87205 0.50180 0.21080 1.00000
H5 H 0.15687 0.10588 0.99885 1.00000
H6 H 0.89412 0.84313 0.50115 1.00000
H7 H 0.84313 0.89412 0.00115 1.00000
H8 H 0.10588 0.15687 0.49885 1.00000
H9 H 0.42914 0.34763 0.61157 1.00000
H10 H 0.65237 0.57086 0.88843 1.00000
H11 H 0.57086 0.65237 0.38843 1.00000
H12 H 0.34763 0.42914 0.11157 1.00000
Rh1 Rh 0.06160 0.31451 0.17629 1.00000
Rh2 Rh 0.68549 0.93840 0.32371 1.00000
Rh3 Rh 0.93840 0.68549 0.82371 1.00000
Rh4 Rh 0.31451 0.06160 0.67629 1.00000
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