PmPr4Nd3
Alexandria ALEXAlex-ID: agm012835591 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_215_spg10
PrNd2 Pr Pm2Nd
2025-03-07 07:09:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012835591).
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 agm012835591
data_agm012835591
_cell_length_a 12.52616
_cell_length_b 12.52616
_cell_length_c 6.43743
_cell_angle_alpha 75.09312
_cell_angle_beta 104.90688
_cell_angle_gamma 162.93844
_cell_volume 286.14944
_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
Pm1 Pm 0.50000 0.50000 0.00000 1.00000
Pr1 Pr 0.37507 0.62493 0.53928 1.00000
Pr2 Pr 0.62493 0.37507 0.46072 1.00000
Pr3 Pr 0.12473 0.87527 0.96050 1.00000
Pr4 Pr 0.87527 0.12473 0.03950 1.00000
Nd1 Nd 0.00000 0.00000 0.50000 1.00000
Nd2 Nd 0.74984 0.25016 0.24967 1.00000
Nd3 Nd 0.25016 0.74984 0.75033 1.00000
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