Nd3Y8Er3
Alexandria ALEXAlex-ID: agm005690106 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_31_spg71
NdY2 YEr5 Y5Er
2023-07-01 00:53:09.708240
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690106).
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 agm005690106
data_agm005690106
_cell_length_a 5.68348
_cell_length_b 9.70786
_cell_length_c 9.70805
_cell_angle_alpha 101.91217
_cell_angle_beta 72.98522
_cell_angle_gamma 72.98472
_cell_volume 464.11845
_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 0.00000 0.00000 1.00000
Nd2 Nd 1.00000 0.81854 0.18147 1.00000
Nd3 Nd 0.00000 0.18146 0.81853 1.00000
Y1 Y 0.65957 0.11986 0.56084 1.00000
Y2 Y 0.34043 0.88014 0.43916 1.00000
Y3 Y 0.65957 0.56086 0.11986 1.00000
Y4 Y 0.34043 0.43914 0.88014 1.00000
Y5 Y 0.84191 0.76050 0.55584 1.00000
Y6 Y 0.15809 0.23950 0.44416 1.00000
Y7 Y 0.84191 0.55582 0.76050 1.00000
Y8 Y 0.15809 0.44418 0.23950 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.79646 0.20370 0.20370 1.00000
Er3 Er 0.20354 0.79630 0.79630 1.00000
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