Pr4Nd5
Alexandria ALEXAlex-ID: agm007887499 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_437_spg12
PrNd2 Pr
2024-05-05 08:07:46.251295
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007887499).
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 agm007887499
data_agm007887499
_cell_length_a 6.40341
_cell_length_b 6.40341
_cell_length_c 11.09291
_cell_angle_alpha 73.22887
_cell_angle_beta 73.22887
_cell_angle_gamma 48.21399
_cell_volume 321.76130
_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 0.66664 0.66664 0.77810 1.00000
Pr2 Pr 0.33336 0.33336 0.22190 1.00000
Pr3 Pr 0.00011 0.00011 0.66679 1.00000
Pr4 Pr 0.99989 0.99989 0.33321 1.00000
Nd1 Nd 0.33333 0.33333 0.55565 1.00000
Nd2 Nd 0.66667 0.66667 0.44435 1.00000
Nd3 Nd 0.33305 0.33305 0.88917 1.00000
Nd4 Nd 0.66695 0.66695 0.11083 1.00000
Nd5 Nd 0.00000 0.00000 0.00000 1.00000
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