Dy6Er2ThSc
Alexandria ALEXAlex-ID: agm004980452 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_695_spg15
Dy2Th Dy7Er2 Er2Th Sc
2022-08-02 11:40:14.846623
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004980452).
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 agm004980452
data_agm004980452
_cell_length_a 8.61370
_cell_length_b 9.06993
_cell_length_c 9.06993
_cell_angle_alpha 118.23254
_cell_angle_beta 90.64515
_cell_angle_gamma 90.64515
_cell_volume 624.14636
_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 0.05323 0.13719 0.79437 1.00000
Dy2 Dy 0.44677 0.20563 0.86281 1.00000
Dy3 Dy 0.94677 0.86281 0.20563 1.00000
Dy4 Dy 0.55323 0.79437 0.13719 1.00000
Dy5 Dy 0.29003 0.04182 0.45379 1.00000
Dy6 Dy 0.20997 0.54621 0.95818 1.00000
Dy7 Dy 0.70997 0.95818 0.54621 1.00000
Dy8 Dy 0.79003 0.45379 0.04182 1.00000
Dy9 Dy 0.09141 0.73498 0.47920 1.00000
Dy10 Dy 0.40859 0.52080 0.26502 1.00000
Dy11 Dy 0.90859 0.26502 0.52080 1.00000
Dy12 Dy 0.59141 0.47920 0.73498 1.00000
Er1 Er 0.44098 0.78908 0.67547 1.00000
Er2 Er 0.05902 0.32453 0.21092 1.00000
Er3 Er 0.55902 0.21092 0.32453 1.00000
Er4 Er 0.94098 0.67547 0.78908 1.00000
Th1 Th 0.25000 0.96704 0.03296 1.00000
Th2 Th 0.75000 0.03296 0.96704 1.00000
Sc1 Sc 0.25000 0.44191 0.55809 1.00000
Sc2 Sc 0.75000 0.55809 0.44191 1.00000
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