Y6In2O
Alexandria ALEXAlex-ID: agm005776517 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_729_spg225
Y2In Y3InO Y
2023-07-09 03:51:09.097910
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776517).
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 agm005776517
data_agm005776517
_cell_length_a 6.87755
_cell_length_b 6.87748
_cell_length_c 9.70900
_cell_angle_alpha 90.00000
_cell_angle_beta 89.99888
_cell_angle_gamma 90.00000
_cell_volume 459.23800
_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 0.00001 0.00007 0.25282 1.00000
Y2 Y 0.75335 0.75327 0.49997 1.00000
Y3 Y 0.74677 0.74661 0.00006 1.00000
Y4 Y 0.75323 0.24661 0.49994 1.00000
Y5 Y 0.74665 0.25327 0.00003 1.00000
Y6 Y 0.49999 0.50007 0.24718 1.00000
Y7 Y 0.99999 0.99993 0.74718 1.00000
Y8 Y 0.24665 0.24673 0.50003 1.00000
Y9 Y 0.25323 0.25339 0.99994 1.00000
Y10 Y 0.24677 0.75339 0.50006 1.00000
Y11 Y 0.25335 0.74673 0.99997 1.00000
Y12 Y 0.50001 0.49993 0.75282 1.00000
In1 In 0.99985 0.49991 0.74993 1.00000
In2 In 0.50015 0.99991 0.75007 1.00000
In3 In 0.49985 0.00009 0.24993 1.00000
In4 In 0.00015 0.50009 0.25007 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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