Nd2Y
Alexandria ALEXAlex-ID: agm017694255 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3316_spg2
NdY2 Nd
2025-04-15 10:58:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017694255).
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 agm017694255
data_agm017694255
_cell_length_a 9.64694
_cell_length_b 9.64694
_cell_length_c 6.31218
_cell_angle_alpha 89.76097
_cell_angle_beta 90.23903
_cell_angle_gamma 135.59475
_cell_volume 411.03959
_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 0.87435 0.87435 0.75000 1.00000
Nd2 Nd 0.12565 0.12565 0.25000 1.00000
Nd3 Nd 0.62478 0.62478 0.25000 1.00000
Nd4 Nd 0.37522 0.37522 0.75000 1.00000
Nd5 Nd 0.04197 0.70748 0.41782 1.00000
Nd6 Nd 0.70748 0.04197 0.08218 1.00000
Nd7 Nd 0.29252 0.95803 0.91782 1.00000
Nd8 Nd 0.95803 0.29252 0.58218 1.00000
Y1 Y 0.79159 0.45709 0.91671 1.00000
Y2 Y 0.54291 0.20841 0.41671 1.00000
Y3 Y 0.45709 0.79159 0.58329 1.00000
Y4 Y 0.20841 0.54291 0.08329 1.00000
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