Dy12Y2Th
Alexandria ALEXAlex-ID: agm005776943 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_76_spg47
Dy2Th Dy5Y
2023-07-20 14:13:24.638486
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776943).
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 agm005776943
data_agm005776943
_cell_length_a 6.66440
_cell_length_b 6.66441
_cell_length_c 24.62273
_cell_angle_alpha 90.00832
_cell_angle_beta 89.99505
_cell_angle_gamma 63.52045
_cell_volume 978.87500
_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 0.50000 0.49999 0.80077 1.00000
Dy2 Dy 0.00000 0.00000 0.80077 1.00000
Dy3 Dy 0.75006 0.74994 0.87359 1.00000
Dy4 Dy 0.24997 0.75012 0.92332 1.00000
Dy5 Dy 0.99995 0.00006 0.32600 1.00000
Dy6 Dy 0.25003 0.74988 0.07668 1.00000
Dy7 Dy 0.75149 0.25120 0.56263 1.00000
Dy8 Dy 0.49995 0.50006 0.32600 1.00000
Dy9 Dy 0.24996 0.25004 0.87359 1.00000
Dy10 Dy 0.74994 0.75006 0.12641 1.00000
Dy11 Dy 0.25116 0.24880 0.58708 1.00000
Dy12 Dy 0.74851 0.24880 0.43737 1.00000
Dy13 Dy 0.00005 0.99994 0.67400 1.00000
Dy14 Dy 0.24884 0.25120 0.41292 1.00000
Dy15 Dy 0.25004 0.24996 0.12641 1.00000
Dy16 Dy 0.75102 0.74902 0.41293 1.00000
Dy17 Dy 0.74898 0.75098 0.58707 1.00000
Dy18 Dy 0.00000 0.00001 0.19923 1.00000
Dy19 Dy 0.24876 0.74847 0.56263 1.00000
Dy20 Dy 0.50005 0.49994 0.67400 1.00000
Dy21 Dy 0.74987 0.25003 0.92332 1.00000
Dy22 Dy 0.50000 0.50000 0.19923 1.00000
Dy23 Dy 0.25124 0.75153 0.43737 1.00000
Dy24 Dy 0.75013 0.24997 0.07668 1.00000
Y1 Y 0.49997 0.00003 0.26794 1.00000
Y2 Y 0.99997 0.50003 0.26756 1.00000
Y3 Y 0.00003 0.49997 0.73206 1.00000
Y4 Y 0.50003 0.99997 0.73244 1.00000
Th1 Th 0.50000 1.00000 0.00002 1.00000
Th2 Th 1.00000 0.50000 0.99998 1.00000
