Dy4ErTh2
Alexandria ALEXAlex-ID: agm003445809 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_166_spg139
Dy7Er2 Dy2Th Er2Th
2022-02-17 06:23:13.786929
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003445809).
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 agm003445809
data_agm003445809
_cell_length_a 5.53081
_cell_length_b 5.53081
_cell_length_c 9.23831
_cell_angle_alpha 107.41803
_cell_angle_beta 107.41803
_cell_angle_gamma 90.00000
_cell_volume 256.02736
_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 0.81823 0.81823 0.63646 1.00000
Dy2 Dy 0.18177 0.18177 0.36354 1.00000
Dy3 Dy 0.00000 0.50000 0.00000 1.00000
Dy4 Dy 0.50000 0.00000 0.00000 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.61283 0.61283 0.22566 1.00000
Th2 Th 0.38717 0.38717 0.77434 1.00000
Get direct link