NdY3
Alexandria ALEXAlex-ID: agm024931574 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_5080_spg10
Nd2Y7 NdY2
2025-03-02 05:46:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024931574).
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 agm024931574
data_agm024931574
_cell_length_a 17.54381
_cell_length_b 17.54381
_cell_length_c 6.22144
_cell_angle_alpha 86.57866
_cell_angle_beta 93.42134
_cell_angle_gamma 168.09658
_cell_volume 394.25394
_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 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.16571 0.83429 0.05628 1.00000
Nd3 Nd 0.83429 0.16571 0.94372 1.00000
Y1 Y 0.24992 0.75008 0.75057 1.00000
Y2 Y 0.75008 0.24992 0.24943 1.00000
Y3 Y 0.58293 0.41707 0.86404 1.00000
Y4 Y 0.00000 0.00000 0.00000 1.00000
Y5 Y 0.41707 0.58293 0.13596 1.00000
Y6 Y 0.91647 0.08353 0.63635 1.00000
Y7 Y 0.08353 0.91647 0.36365 1.00000
Y8 Y 0.66632 0.33368 0.55541 1.00000
Y9 Y 0.33368 0.66632 0.44459 1.00000
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