Pr2Nd7Y2
Alexandria ALEXAlex-ID: agm011412901 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_1289_spg12
PrNd3Y4 Pr3Nd3Y2 Nd
2024-05-05 23:50:45.963017
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011412901).
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 agm011412901
data_agm011412901
_cell_length_a 6.36142
_cell_length_b 6.35568
_cell_length_c 9.71112
_cell_angle_alpha 96.26079
_cell_angle_beta 90.14489
_cell_angle_gamma 99.71731
_cell_volume 384.60239
_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 0.54516 0.27381 0.09265 1.00000
Pr2 Pr 0.45484 0.72619 0.90735 1.00000
Nd1 Nd 0.90984 0.45346 0.81589 1.00000
Nd2 Nd 0.63621 0.82020 0.27574 1.00000
Nd3 Nd 0.09016 0.54654 0.18411 1.00000
Nd4 Nd 0.36379 0.17980 0.72426 1.00000
Nd5 Nd 0.00000 0.00000 0.00000 1.00000
Nd6 Nd 0.18068 0.09174 0.36495 1.00000
Nd7 Nd 0.81932 0.90826 0.63505 1.00000
Y1 Y 0.72757 0.36548 0.45579 1.00000
Y2 Y 0.27243 0.63452 0.54421 1.00000
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