YGaO3
Alexandria ALEXAlex-ID: agm005758050 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_115_spg15
Y3Ga5O12 Y2O3
2023-07-05 05:23:42.018609
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758050).
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 agm005758050
data_agm005758050
_cell_length_a 5.71001
_cell_length_b 7.02811
_cell_length_c 7.02811
_cell_angle_alpha 86.34808
_cell_angle_beta 81.73164
_cell_angle_gamma 81.73164
_cell_volume 275.94269
_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 0.25000 0.90177 0.09823 1.00000
Y2 Y 0.75000 0.09823 0.90177 1.00000
Y3 Y 0.25000 0.30430 0.69570 1.00000
Y4 Y 0.75000 0.69570 0.30430 1.00000
Ga1 Ga 0.71217 0.61070 0.79530 1.00000
Ga2 Ga 0.78783 0.20470 0.38930 1.00000
Ga3 Ga 0.28783 0.38930 0.20470 1.00000
Ga4 Ga 0.21217 0.79530 0.61070 1.00000
O1 O 0.63696 0.78869 0.98842 1.00000
O2 O 0.86304 0.01158 0.21131 1.00000
O3 O 0.36304 0.21131 0.01158 1.00000
O4 O 0.13696 0.98842 0.78869 1.00000
O5 O 0.88150 0.37886 0.85815 1.00000
O6 O 0.61850 0.14185 0.62114 1.00000
O7 O 0.11850 0.62114 0.14185 1.00000
O8 O 0.38150 0.85815 0.37886 1.00000
O9 O 0.41936 0.58387 0.70574 1.00000
O10 O 0.08064 0.29426 0.41613 1.00000
O11 O 0.58064 0.41613 0.29426 1.00000
O12 O 0.91936 0.70574 0.58387 1.00000
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