Tb2Nd3Y
Alexandria ALEXAlex-ID: agm017365877 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_845_spg15
Tb5Nd3 NdY2 Nd
2025-04-15 11:00:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017365877).
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
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# CIF generated by HEAS from Alexandria entry agm017365877
data_agm017365877
_cell_length_a 9.59162
_cell_length_b 9.59162
_cell_length_c 6.27329
_cell_angle_alpha 89.82477
_cell_angle_beta 90.17523
_cell_angle_gamma 135.56405
_cell_volume 404.05810
_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 0.79154 0.45835 0.41694 1.00000
Tb2 Tb 0.54165 0.20846 0.91694 1.00000
Tb3 Tb 0.45835 0.79154 0.08306 1.00000
Tb4 Tb 0.20846 0.54165 0.58306 1.00000
Nd1 Nd 0.62410 0.62410 0.75000 1.00000
Nd2 Nd 0.37590 0.37590 0.25000 1.00000
Nd3 Nd 0.04156 0.70725 0.91520 1.00000
Nd4 Nd 0.70725 0.04156 0.58480 1.00000
Nd5 Nd 0.29275 0.95844 0.41520 1.00000
Nd6 Nd 0.95844 0.29275 0.08480 1.00000
Y1 Y 0.87525 0.87525 0.25000 1.00000
Y2 Y 0.12475 0.12475 0.75000 1.00000
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