Nd7Er3
Alexandria ALEXAlex-ID: agm007834962 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B7_68_spg2
NdEr2 Nd
2024-05-10 06:12:42.630111
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007834962).
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 agm007834962
data_agm007834962
_cell_length_a 13.01864
_cell_length_b 13.01864
_cell_length_c 7.24758
_cell_angle_alpha 81.80471
_cell_angle_beta 81.80471
_cell_angle_gamma 16.09104
_cell_volume 336.91006
_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 0.00000 1.00000
Nd2 Nd 0.20126 0.20126 0.39684 1.00000
Nd3 Nd 0.79874 0.79874 0.60316 1.00000
Nd4 Nd 0.39985 0.39985 0.80013 1.00000
Nd5 Nd 0.60015 0.60015 0.19987 1.00000
Nd6 Nd 0.39917 0.39917 0.30066 1.00000
Nd7 Nd 0.60083 0.60083 0.69934 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
Er2 Er 0.20062 0.20062 0.90222 1.00000
Er3 Er 0.79938 0.79938 0.09778 1.00000
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