LiY(Ga2Ni)2
Alexandria ALEXAlex-ID: agm004792452 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_337_spg166
Li2Ga2Ni Y4Ga20Ni11 YGa2Ni Li5Ga4
2022-07-16 23:32:14.152267
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004792452).
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 agm004792452
data_agm004792452
_cell_length_a 4.12235
_cell_length_b 4.12235
_cell_length_c 8.84421
_cell_angle_alpha 76.52308
_cell_angle_beta 76.52308
_cell_angle_gamma 60.00000
_cell_volume 125.35911
_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
Li1 Li 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.40220 0.40220 0.79340 1.00000
Ga2 Ga 0.87069 0.87069 0.38793 1.00000
Ga3 Ga 0.12931 0.12931 0.61207 1.00000
Ga4 Ga 0.59780 0.59780 0.20660 1.00000
Ni1 Ni 0.76699 0.76699 0.69902 1.00000
Ni2 Ni 0.23301 0.23301 0.30098 1.00000
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