Dy4Er5Sc2
Alexandria ALEXAlex-ID: agm005643603 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_175_spg12
Dy5Er4 DyEr5 Sc
2023-06-25 18:25:27.097858
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643603).
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 agm005643603
data_agm005643603
_cell_length_a 13.85761
_cell_length_b 13.85761
_cell_length_c 8.40096
_cell_angle_alpha 57.46048
_cell_angle_beta 57.46048
_cell_angle_gamma 14.32889
_cell_volume 335.50264
_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 0.12933 0.12933 0.78197 1.00000
Dy2 Dy 0.96170 0.96170 0.73052 1.00000
Dy3 Dy 0.87067 0.87067 0.21803 1.00000
Dy4 Dy 0.03830 0.03830 0.26948 1.00000
Er1 Er 0.81639 0.81639 0.88982 1.00000
Er2 Er 0.18361 0.18361 0.11018 1.00000
Er3 Er 0.72458 0.72458 0.37817 1.00000
Er4 Er 0.50000 0.50000 0.00000 1.00000
Er5 Er 0.27542 0.27542 0.62183 1.00000
Sc1 Sc 0.58842 0.58842 0.51685 1.00000
Sc2 Sc 0.41158 0.41158 0.48315 1.00000
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