Dy2Sc6O
Alexandria ALEXAlex-ID: agm005776722 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_729_spg225
Dy2O3 Dy Sc
2023-07-09 03:46:30.012094
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776722).
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 agm005776722
data_agm005776722
_cell_length_a 6.62792
_cell_length_b 6.62720
_cell_length_c 9.49695
_cell_angle_alpha 90.00000
_cell_angle_beta 90.01086
_cell_angle_gamma 90.00002
_cell_volume 417.14913
_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
Dy1 Dy 0.99996 0.49997 0.75010 1.00000
Dy2 Dy 0.50004 0.99997 0.74990 1.00000
Dy3 Dy 0.49996 0.00003 0.25010 1.00000
Dy4 Dy 0.00004 0.50003 0.24990 1.00000
Sc1 Sc 0.99989 0.99996 0.26216 1.00000
Sc2 Sc 0.75919 0.75906 0.50000 1.00000
Sc3 Sc 0.74086 0.74098 0.00002 1.00000
Sc4 Sc 0.75914 0.24098 0.49998 1.00000
Sc5 Sc 0.74081 0.25906 0.00000 1.00000
Sc6 Sc 0.50011 0.49996 0.23784 1.00000
Sc7 Sc 0.00011 0.00004 0.73784 1.00000
Sc8 Sc 0.24081 0.24094 0.50000 1.00000
Sc9 Sc 0.25914 0.25902 0.99998 1.00000
Sc10 Sc 0.24086 0.75902 0.50002 1.00000
Sc11 Sc 0.25919 0.74094 1.00000 1.00000
Sc12 Sc 0.49989 0.50004 0.76216 1.00000
O1 O 0.50000 0.50000 0.00000 1.00000
O2 O 0.00000 0.00000 0.50000 1.00000
Get direct link