Nd6Y5Er
Alexandria ALEXAlex-ID: agm003675855 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_52_spg12
NdY2 NdYEr Nd
2022-04-10 05:04:31.400047
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003675855).
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 agm003675855
data_agm003675855
_cell_length_a 11.87753
_cell_length_b 6.29120
_cell_length_c 6.29001
_cell_angle_alpha 59.99373
_cell_angle_beta 84.94977
_cell_angle_gamma 79.86170
_cell_volume 400.66377
_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 0.75067 0.08254 0.33228 1.00000
Nd2 Nd 0.24933 0.58518 0.33228 1.00000
Nd3 Nd 0.24932 0.24980 0.00000 1.00000
Nd4 Nd 0.75068 0.75020 1.00000 1.00000
Nd5 Nd 0.75067 0.41482 0.66772 1.00000
Nd6 Nd 0.24933 0.91746 0.66772 1.00000
Y1 Y 0.50000 0.16660 0.66680 1.00000
Y2 Y 0.00000 0.33332 0.33335 1.00000
Y3 Y 0.50000 0.50000 0.00000 1.00000
Y4 Y 1.00000 0.66668 0.66665 1.00000
Y5 Y 0.50000 0.83340 0.33320 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
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