Pr2Nd7Sm3
Alexandria ALEXAlex-ID: agm005608459 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_115_spg10
PrNd2 Nd PrSm4
2023-06-13 14:51:11.606606
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608459).
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 agm005608459
data_agm005608459
_cell_length_a 3.61282
_cell_length_b 6.54434
_cell_length_c 18.48724
_cell_angle_alpha 75.43902
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 423.06341
_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 0.50000 0.61264 0.32960 1.00000
Pr2 Pr 0.50000 0.38736 0.67040 1.00000
Nd1 Nd 0.50000 0.24072 0.50198 1.00000
Nd2 Nd 0.50000 0.75928 0.49802 1.00000
Nd3 Nd 0.00000 0.55922 0.16503 1.00000
Nd4 Nd 0.00000 0.00000 0.00000 1.00000
Nd5 Nd 0.00000 0.44078 0.83497 1.00000
Nd6 Nd 0.50000 0.94154 0.83224 1.00000
Nd7 Nd 0.50000 0.05846 0.16776 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Sm2 Sm 0.00000 0.11256 0.33955 1.00000
Sm3 Sm 0.00000 0.88744 0.66045 1.00000
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