NdDy2TmSc4
Alexandria ALEXAlex-ID: agm004862976 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_346_spg74
Dy5Tm Nd3Dy5 DyTm5 Sc
2022-07-19 21:37:56.739988
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004862976).
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 agm004862976
data_agm004862976
_cell_length_a 9.08544
_cell_length_b 9.08543
_cell_length_c 11.28139
_cell_angle_alpha 128.37819
_cell_angle_beta 128.37828
_cell_angle_gamma 88.33924
_cell_volume 466.16361
_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 0.00000 0.50000 0.00001 1.00000
Nd2 Nd 1.00000 0.50000 0.49999 1.00000
Dy1 Dy 0.50000 0.00000 0.00000 1.00000
Dy2 Dy 0.50000 0.00000 0.50000 1.00000
Dy3 Dy 0.00000 0.00000 0.50000 1.00000
Dy4 Dy 0.50000 0.50000 1.00000 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Tm2 Tm 0.99999 0.00000 1.00000 1.00000
Sc1 Sc 0.24879 0.75246 0.00063 1.00000
Sc2 Sc 0.74754 0.25121 0.49937 1.00000
Sc3 Sc 0.25246 0.74878 0.50063 1.00000
Sc4 Sc 0.75122 0.24754 0.99937 1.00000
Sc5 Sc 0.74929 0.74940 0.99780 1.00000
Sc6 Sc 0.75060 0.75071 0.50220 1.00000
Sc7 Sc 0.24940 0.24930 0.49780 1.00000
Sc8 Sc 0.25071 0.25060 0.00220 1.00000
Get direct link