Nd3Er
Alexandria ALEXAlex-ID: agm024804120 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_5080_spg10
NdEr2 Nd
2025-02-02 11:26:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024804120).
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 agm024804120
data_agm024804120
_cell_length_a 17.68220
_cell_length_b 17.68220
_cell_length_c 6.28617
_cell_angle_alpha 86.49254
_cell_angle_beta 93.50746
_cell_angle_gamma 167.98217
_cell_volume 408.45999
_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 0.25139 0.74861 0.74910 1.00000
Nd2 Nd 0.74861 0.25139 0.25090 1.00000
Nd3 Nd 0.58481 0.41519 0.19441 1.00000
Nd4 Nd 0.00000 0.00000 0.00000 1.00000
Nd5 Nd 0.41519 0.58481 0.80559 1.00000
Nd6 Nd 0.91721 0.08279 0.30683 1.00000
Nd7 Nd 0.08279 0.91721 0.69317 1.00000
Nd8 Nd 0.66686 0.33314 0.88586 1.00000
Nd9 Nd 0.33314 0.66686 0.11414 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.16675 0.83325 0.39053 1.00000
Er3 Er 0.83325 0.16675 0.60947 1.00000
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