LiY(ScGa2)2
Alexandria ALEXAlex-ID: agm004792501 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_337_spg166
Li2Ga Y3Ga5 Y2Sc3Ga4 ScGa
2022-07-17 00:44:58.081793
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004792501).
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 agm004792501
data_agm004792501
_cell_length_a 4.74720
_cell_length_b 4.74720
_cell_length_c 8.44946
_cell_angle_alpha 73.68505
_cell_angle_beta 73.68505
_cell_angle_gamma 60.00000
_cell_volume 155.98870
_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
Sc1 Sc 0.75587 0.75587 0.73238 1.00000
Sc2 Sc 0.24413 0.24413 0.26762 1.00000
Ga1 Ga 0.37986 0.37986 0.86043 1.00000
Ga2 Ga 0.87266 0.87266 0.38203 1.00000
Ga3 Ga 0.12734 0.12734 0.61797 1.00000
Ga4 Ga 0.62014 0.62014 0.13957 1.00000
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