TbNd2Dy5Mg
Alexandria ALEXAlex-ID: agm005163545 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_204_spg36
TbDy5 TbNd3Dy4 Nd3Dy5 NdMg
2023-01-16 05:59:23.582621
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005163545).
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 agm005163545
data_agm005163545
_cell_length_a 5.46256
_cell_length_b 10.42611
_cell_length_c 10.51847
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.18671
_cell_volume 578.14045
_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
Tb1 Tb 0.79584 0.59167 0.50850 1.00000
Tb2 Tb 0.20416 0.40833 0.00850 1.00000
Nd1 Nd 0.88460 0.76920 0.79812 1.00000
Nd2 Nd 0.11547 0.23093 0.71907 1.00000
Nd3 Nd 0.11540 0.23080 0.29812 1.00000
Nd4 Nd 0.88453 0.76907 0.21907 1.00000
Dy1 Dy 0.38212 0.76424 0.00853 1.00000
Dy2 Dy 0.71152 0.42304 0.81031 1.00000
Dy3 Dy 0.49954 0.99909 0.75778 1.00000
Dy4 Dy 0.28923 0.57846 0.70634 1.00000
Dy5 Dy 0.98671 0.97341 0.50850 1.00000
Dy6 Dy 0.61788 0.23576 0.50853 1.00000
Dy7 Dy 0.28848 0.57696 0.31031 1.00000
Dy8 Dy 0.50046 0.00091 0.25778 1.00000
Dy9 Dy 0.71077 0.42154 0.20634 1.00000
Dy10 Dy 0.01329 0.02659 0.00850 1.00000
Mg1 Mg 0.59469 0.18938 0.00681 1.00000
Mg2 Mg 0.40531 0.81062 0.50681 1.00000
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