Nd5Dy3Er2
Alexandria ALEXAlex-ID: agm003345261 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_152_spg72
Nd3(DyEr2)2 Nd3Dy5 Nd
2022-02-02 11:13:54.850682
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003345261).
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 agm003345261
data_agm003345261
_cell_length_a 10.98538
_cell_length_b 9.96290
_cell_length_c 9.96290
_cell_angle_alpha 56.52152
_cell_angle_beta 56.54280
_cell_angle_gamma 56.54278
_cell_volume 709.30258
_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 0.25000 0.50000 0.50000 1.00000
Nd2 Nd 0.75000 0.50000 0.50000 1.00000
Nd3 Nd 0.49673 0.75327 0.75327 1.00000
Nd4 Nd 0.00327 0.24673 0.24673 1.00000
Nd5 Nd 0.50327 0.24673 0.24673 1.00000
Nd6 Nd 0.99673 0.75327 0.75327 1.00000
Nd7 Nd 0.12963 0.47616 0.26458 1.00000
Nd8 Nd 0.87037 0.52384 0.73542 1.00000
Nd9 Nd 0.62963 0.26458 0.47616 1.00000
Nd10 Nd 0.37037 0.73542 0.52384 1.00000
Dy1 Dy 0.25000 0.00000 0.00000 1.00000
Dy2 Dy 0.75000 0.00000 0.00000 1.00000
Dy3 Dy 0.37705 0.37524 0.87066 1.00000
Dy4 Dy 0.62295 0.62476 0.12934 1.00000
Dy5 Dy 0.87705 0.87066 0.37524 1.00000
Dy6 Dy 0.12295 0.12934 0.62476 1.00000
Er1 Er 0.11966 0.79630 0.96438 1.00000
Er2 Er 0.88034 0.20370 0.03562 1.00000
Er3 Er 0.61966 0.96438 0.79630 1.00000
Er4 Er 0.38034 0.03562 0.20370 1.00000
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