Nd4Y5Sc2
Alexandria ALEXAlex-ID: agm003359622 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_175_spg12
NdYSc6 Nd NdY2
2022-02-05 14:35:04.152604
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003359622).
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 agm003359622
data_agm003359622
_cell_length_a 3.51960
_cell_length_b 8.57723
_cell_length_c 14.15396
_cell_angle_alpha 122.18372
_cell_angle_beta 97.14221
_cell_angle_gamma 90.00000
_cell_volume 357.70700
_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 0.72400 0.62409 0.44800 1.00000
Nd2 Nd 0.03829 0.72923 0.07658 1.00000
Nd3 Nd 0.27600 0.37591 0.55200 1.00000
Nd4 Nd 0.96171 0.27077 0.92342 1.00000
Y1 Y 0.18232 0.89028 0.36463 1.00000
Y2 Y 0.81768 0.10972 0.63537 1.00000
Y3 Y 0.12927 0.21919 0.25853 1.00000
Y4 Y 0.50000 0.00000 0.00000 1.00000
Y5 Y 0.87073 0.78081 0.74147 1.00000
Sc1 Sc 0.58793 0.47841 0.17587 1.00000
Sc2 Sc 0.41207 0.52159 0.82413 1.00000
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