Nd3Y4Er5
Alexandria ALEXAlex-ID: agm005694014 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_129_spg2
NdY2 NdYEr YEr5
2023-06-29 15:16:18.977465
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694014).
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 agm005694014
data_agm005694014
_cell_length_a 7.16150
_cell_length_b 9.48292
_cell_length_c 12.92129
_cell_angle_alpha 153.27084
_cell_angle_beta 81.90635
_cell_angle_gamma 101.00420
_cell_volume 386.54658
_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 0.58196 0.16353 0.33272 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.41804 0.83647 0.66728 1.00000
Y1 Y 0.91635 0.83519 0.66724 1.00000
Y2 Y 0.83229 0.66753 0.83372 1.00000
Y3 Y 0.16771 0.33247 0.16628 1.00000
Y4 Y 0.08365 0.16481 0.33276 1.00000
Er1 Er 0.33386 0.66606 0.83321 1.00000
Er2 Er 0.50000 0.00000 0.50000 1.00000
Er3 Er 0.74955 0.50018 0.00114 1.00000
Er4 Er 0.25045 0.49982 0.99886 1.00000
Er5 Er 0.66614 0.33394 0.16679 1.00000
Get direct link