Y2Ga(Ni4H)3
Alexandria ALEXAlex-ID: agm004498539 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_116_spg166
Y2Ni17H3 YNi5 YNiH4 GaNi3H
2022-06-20 03:29:24.132684
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004498539).
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 agm004498539
data_agm004498539
_cell_length_a 6.89089
_cell_length_b 6.89089
_cell_length_c 6.89089
_cell_angle_alpha 56.39820
_cell_angle_beta 56.39820
_cell_angle_gamma 56.39820
_cell_volume 212.10091
_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
Y1 Y 0.59805 0.59805 0.59805 1.00000
Y2 Y 0.40195 0.40195 0.40195 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.27846 0.27846 0.90225 1.00000
Ni2 Ni 0.86267 0.86267 0.45348 1.00000
Ni3 Ni 0.45348 0.86267 0.86267 1.00000
Ni4 Ni 0.90225 0.27846 0.27846 1.00000
Ni5 Ni 0.86267 0.45348 0.86267 1.00000
Ni6 Ni 0.27846 0.90225 0.27846 1.00000
Ni7 Ni 0.72154 0.72154 0.09775 1.00000
Ni8 Ni 0.13733 0.13733 0.54652 1.00000
Ni9 Ni 0.54652 0.13733 0.13733 1.00000
Ni10 Ni 0.09775 0.72154 0.72154 1.00000
Ni11 Ni 0.13733 0.54652 0.13733 1.00000
Ni12 Ni 0.72154 0.09775 0.72154 1.00000
H1 H 0.50000 0.00000 0.00000 1.00000
H2 H 0.00000 0.50000 0.00000 1.00000
H3 H 0.00000 0.00000 0.50000 1.00000
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