GaNi(H4Ru)2
Alexandria ALEXAlex-ID: agm007484426 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_7_spg1
GaH3Ru H2 GaNi3H H8Ru3
2025-05-27 08:21:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007484426).
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 agm007484426
data_agm007484426
_cell_length_a 4.56244
_cell_length_b 4.86397
_cell_length_c 5.10440
_cell_angle_alpha 93.07002
_cell_angle_beta 94.54097
_cell_angle_gamma 117.99386
_cell_volume 99.17633
_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
Ga1 Ga 0.50072 0.50001 0.49981 1.00000
Ni1 Ni 0.99988 0.99985 0.99985 1.00000
H1 H 0.76709 0.25200 0.62075 1.00000
H2 H 0.23998 0.12991 0.74248 1.00000
H3 H 0.23232 0.74703 0.37929 1.00000
H4 H 0.00364 0.66489 0.86488 1.00000
H5 H 0.99664 0.33502 0.13489 1.00000
H6 H 0.61625 0.95119 0.83780 1.00000
H7 H 0.38323 0.04847 0.16224 1.00000
H8 H 0.76004 0.87157 0.25790 1.00000
Ru1 Ru 0.64223 0.31781 0.89122 1.00000
Ru2 Ru 0.35798 0.68225 0.10889 1.00000
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