Nd3Y7Er2
Alexandria ALEXAlex-ID: agm005602116 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_198_spg65
NdY2 YEr5 Y5Er
2023-06-13 19:50:44.758564
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602116).
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 agm005602116
data_agm005602116
_cell_length_a 3.64016
_cell_length_b 5.62108
_cell_length_c 20.67295
_cell_angle_alpha 89.99996
_cell_angle_beta 95.05482
_cell_angle_gamma 90.00000
_cell_volume 421.35741
_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 0.50000 0.50000 0.00000 1.00000
Nd2 Nd 0.83056 1.00000 0.66206 1.00000
Nd3 Nd 0.16944 0.00000 0.33794 1.00000
Y1 Y 0.28480 0.50000 0.56988 1.00000
Y2 Y 0.71520 0.50000 0.43012 1.00000
Y3 Y 0.41388 1.00000 0.82824 1.00000
Y4 Y 0.00000 0.00000 0.00000 1.00000
Y5 Y 0.58612 0.00000 0.17176 1.00000
Y6 Y 0.06778 0.50000 0.13500 1.00000
Y7 Y 0.93222 0.50000 0.86500 1.00000
Er1 Er 0.36271 0.50000 0.72651 1.00000
Er2 Er 0.63729 0.50000 0.27349 1.00000
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