Y6Al2O
Alexandria ALEXAlex-ID: agm005776527 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_729_spg225
Y2Al Y2O3 Y
2023-07-09 03:14:14.583120
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776527).
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 agm005776527
data_agm005776527
_cell_length_a 6.78232
_cell_length_b 6.78186
_cell_length_c 9.57778
_cell_angle_alpha 90.00000
_cell_angle_beta 89.99014
_cell_angle_gamma 90.00000
_cell_volume 440.54737
_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 0.00019 0.99999 0.25240 1.00000
Y2 Y 0.75209 0.75286 0.49989 1.00000
Y3 Y 0.74716 0.74788 0.00009 1.00000
Y4 Y 0.75285 0.24788 0.49991 1.00000
Y5 Y 0.74791 0.25286 0.00011 1.00000
Y6 Y 0.49981 0.49999 0.24760 1.00000
Y7 Y 0.99981 0.00001 0.74760 1.00000
Y8 Y 0.24791 0.24714 0.50011 1.00000
Y9 Y 0.25285 0.25212 0.99991 1.00000
Y10 Y 0.24715 0.75212 0.50009 1.00000
Y11 Y 0.25209 0.74714 0.99989 1.00000
Y12 Y 0.50019 0.50001 0.75240 1.00000
Al1 Al 0.00002 0.50008 0.75000 1.00000
Al2 Al 0.49998 0.00008 0.75000 1.00000
Al3 Al 0.50002 0.99992 0.25000 1.00000
Al4 Al 0.99998 0.49992 0.25000 1.00000
O1 O 0.50000 0.50000 0.00000 1.00000
O2 O 0.00000 0.00000 0.50000 1.00000
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