Pr5NdY2Er
Alexandria ALEXAlex-ID: agm005153459 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_275_spg140
Pr3NdY4 Pr2NdEr6 Pr3Nd3Y2 Pr
2023-01-19 15:39:38.522416
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005153459).
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 agm005153459
data_agm005153459
_cell_length_a 9.55578
_cell_length_b 9.55578
_cell_length_c 9.76750
_cell_angle_alpha 119.28553
_cell_angle_beta 119.28553
_cell_angle_gamma 90.00000
_cell_volume 644.04776
_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
Pr1 Pr 0.93134 0.43134 0.26666 1.00000
Pr2 Pr 0.66467 0.16467 0.73334 1.00000
Pr3 Pr 0.06866 0.56866 0.73334 1.00000
Pr4 Pr 0.16467 0.06866 0.73334 1.00000
Pr5 Pr 0.56866 0.66467 0.73334 1.00000
Pr6 Pr 0.83533 0.93134 0.26666 1.00000
Pr7 Pr 0.43134 0.33533 0.26666 1.00000
Pr8 Pr 0.33533 0.83533 0.26666 1.00000
Pr9 Pr 0.50000 0.50000 0.00000 1.00000
Pr10 Pr 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.25000 0.25000 0.50000 1.00000
Nd2 Nd 0.75000 0.75000 0.50000 1.00000
Y1 Y 0.10800 0.39200 0.00000 1.00000
Y2 Y 0.60800 0.10800 0.00000 1.00000
Y3 Y 0.39200 0.89200 1.00000 1.00000
Y4 Y 0.89200 0.60800 0.00000 1.00000
Er1 Er 0.25000 0.75000 0.50000 1.00000
Er2 Er 0.75000 0.25000 0.50000 1.00000
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