NdY17
Alexandria ALEXAlex-ID: agm066950337 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB17_3_spg12
NdY8 Y
2024-12-30 06:10:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066950337).
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 agm066950337
data_agm066950337
_cell_length_a 6.25341
_cell_length_b 6.25341
_cell_length_c 17.37732
_cell_angle_alpha 86.56094
_cell_angle_beta 93.43906
_cell_angle_gamma 60.00534
_cell_volume 584.28208
_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 0.00000 0.50000 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.16655 0.16655 0.00000 1.00000
Y3 Y 0.83345 0.83345 0.00000 1.00000
Y4 Y 0.66669 0.66669 0.50000 1.00000
Y5 Y 0.33331 0.33331 0.50000 1.00000
Y6 Y 0.11124 0.88876 0.83303 1.00000
Y7 Y 0.88876 0.11124 0.16697 1.00000
Y8 Y 0.38979 0.61021 0.66791 1.00000
Y9 Y 0.61021 0.38979 0.33209 1.00000
Y10 Y 0.05617 0.27748 0.66791 1.00000
Y11 Y 0.27748 0.05617 0.33209 1.00000
Y12 Y 0.72252 0.94383 0.66791 1.00000
Y13 Y 0.94383 0.72252 0.33209 1.00000
Y14 Y 0.22196 0.44479 0.16689 1.00000
Y15 Y 0.55521 0.77804 0.16689 1.00000
Y16 Y 0.44479 0.22196 0.83311 1.00000
Y17 Y 0.77804 0.55521 0.83311 1.00000
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