Ce2Dy8Th3
Alexandria ALEXAlex-ID: agm005649332 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_332_spg64
Ce3Th Dy CeTh3
2023-06-20 20:37:45.442159
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649332).
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 agm005649332
data_agm005649332
_cell_length_a 8.73045
_cell_length_b 8.73045
_cell_length_c 11.07552
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 98.96261
_cell_volume 833.87630
_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
Ce1 Ce 0.21302 0.78698 0.06304 1.00000
Ce2 Ce 0.28698 0.71302 0.56304 1.00000
Ce3 Ce 0.71302 0.28698 0.43696 1.00000
Ce4 Ce 0.78698 0.21302 0.93696 1.00000
Dy1 Dy 0.84982 0.61343 0.91835 1.00000
Dy2 Dy 0.88657 0.65018 0.58165 1.00000
Dy3 Dy 0.94318 0.05682 0.63681 1.00000
Dy4 Dy 0.18125 0.81875 0.78993 1.00000
Dy5 Dy 0.55682 0.44318 0.13681 1.00000
Dy6 Dy 0.31875 0.68125 0.28993 1.00000
Dy7 Dy 0.34982 0.11343 0.58165 1.00000
Dy8 Dy 0.61343 0.84982 0.08165 1.00000
Dy9 Dy 0.38657 0.15018 0.91835 1.00000
Dy10 Dy 0.65018 0.88657 0.41835 1.00000
Dy11 Dy 0.05682 0.94318 0.36319 1.00000
Dy12 Dy 0.44318 0.55682 0.86319 1.00000
Dy13 Dy 0.81875 0.18125 0.21007 1.00000
Dy14 Dy 0.68125 0.31875 0.71007 1.00000
Dy15 Dy 0.11343 0.34982 0.41835 1.00000
Dy16 Dy 0.15018 0.38657 0.08165 1.00000
Th1 Th 0.88954 0.61046 0.25000 1.00000
Th2 Th 0.50000 0.50000 0.50000 1.00000
Th3 Th 0.61046 0.88954 0.75000 1.00000
Th4 Th 0.38954 0.11046 0.25000 1.00000
Th5 Th 0.00000 0.00000 0.00000 1.00000
Th6 Th 0.11046 0.38954 0.75000 1.00000
