Nd3Dy8Er3
Alexandria ALEXAlex-ID: agm005692576 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_31_spg71
Nd2Dy5Er2 Dy7Er2 Nd3Dy5
2023-06-29 10:34:29.515933
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692576).
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 agm005692576
data_agm005692576
_cell_length_a 5.64776
_cell_length_b 9.66161
_cell_length_c 9.66145
_cell_angle_alpha 101.92513
_cell_angle_beta 73.01023
_cell_angle_gamma 73.01054
_cell_volume 456.94383
_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
Nd1 Nd 0.50000 0.00000 0.00000 1.00000
Nd2 Nd 1.00000 0.81758 0.18242 1.00000
Nd3 Nd 0.00000 0.18242 0.81758 1.00000
Dy1 Dy 0.66025 0.11916 0.55992 1.00000
Dy2 Dy 0.33975 0.88084 0.44008 1.00000
Dy3 Dy 0.66025 0.55992 0.11917 1.00000
Dy4 Dy 0.33975 0.44008 0.88083 1.00000
Dy5 Dy 0.84159 0.76104 0.55622 1.00000
Dy6 Dy 0.15841 0.23896 0.44378 1.00000
Dy7 Dy 0.84158 0.55623 0.76104 1.00000
Dy8 Dy 0.15842 0.44377 0.23896 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.79611 0.20399 0.20399 1.00000
Er3 Er 0.20389 0.79601 0.79601 1.00000
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