Nd3Dy4Ho5
Alexandria ALEXAlex-ID: agm005698100 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_119_spg2
Nd2DyHo6 NdDy4Ho NdDyHo
2023-06-29 12:36:44.518493
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698100).
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 agm005698100
data_agm005698100
_cell_length_a 7.13520
_cell_length_b 11.28109
_cell_length_c 12.86128
_cell_angle_alpha 151.29492
_cell_angle_beta 56.40812
_cell_angle_gamma 129.23107
_cell_volume 385.15061
_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 0.58454 0.16722 0.33338 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.41546 0.83278 0.66662 1.00000
Dy1 Dy 0.91773 0.83527 0.66844 1.00000
Dy2 Dy 0.83235 0.66549 0.83331 1.00000
Dy3 Dy 0.16765 0.33451 0.16669 1.00000
Dy4 Dy 0.08227 0.16473 0.33156 1.00000
Ho1 Ho 0.33228 0.66756 0.83504 1.00000
Ho2 Ho 0.50000 0.00000 0.50000 1.00000
Ho3 Ho 0.74911 0.50135 0.00114 1.00000
Ho4 Ho 0.25089 0.49865 0.99886 1.00000
Ho5 Ho 0.66772 0.33244 0.16496 1.00000
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