Pr2Nd3Y2
Alexandria ALEXAlex-ID: agm011608697 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_1648_spg12
PrNd3Y4 Pr3Nd3Y2 Nd
2024-05-05 23:49:05.089571
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011608697).
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
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# CIF generated by HEAS from Alexandria entry agm011608697
data_agm011608697
_cell_length_a 8.75655
_cell_length_b 8.75655
_cell_length_c 9.00762
_cell_angle_alpha 61.86903
_cell_angle_beta 61.86903
_cell_angle_gamma 23.66952
_cell_volume 242.98642
_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 0.29331 0.29331 0.28828 1.00000
Pr2 Pr 0.70669 0.70669 0.71172 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.93036 0.93036 0.42911 1.00000
Nd3 Nd 0.06964 0.06964 0.57089 1.00000
Y1 Y 0.35653 0.35653 0.84458 1.00000
Y2 Y 0.64347 0.64347 0.15542 1.00000
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