Pr4Nd3Y8
Alexandria ALEXAlex-ID: agm005705380 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_75_spg166
Pr(NdY3)2 Pr2NdY6 Pr3Nd3Y2
2023-06-29 19:31:13.748352
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705380).
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 agm005705380
data_agm005705380
_cell_length_a 7.07837
_cell_length_b 7.07837
_cell_length_c 12.65322
_cell_angle_alpha 73.75692
_cell_angle_beta 73.75692
_cell_angle_gamma 59.99995
_cell_volume 519.60657
_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 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.33594 0.33594 0.99216 1.00000
Pr3 Pr 0.50000 0.50000 0.50000 1.00000
Pr4 Pr 0.66406 0.66406 0.00784 1.00000
Nd1 Nd 0.50000 0.00000 0.50000 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.00000 0.50000 0.50000 1.00000
Y1 Y 0.24556 0.24556 0.26334 1.00000
Y2 Y 0.24953 0.75035 0.24976 1.00000
Y3 Y 0.75035 0.75035 0.24976 1.00000
Y4 Y 0.75035 0.24953 0.24976 1.00000
Y5 Y 0.75444 0.75444 0.73666 1.00000
Y6 Y 0.75047 0.24965 0.75024 1.00000
Y7 Y 0.24965 0.24965 0.75024 1.00000
Y8 Y 0.24965 0.75047 0.75024 1.00000
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