PrNd2Sm4Sc
Alexandria ALEXAlex-ID: agm004862882 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_268_spg115
Sc Nd PrSm4
2022-07-20 07:04:01.433808
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004862882).
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 agm004862882
data_agm004862882
_cell_length_a 5.98069
_cell_length_b 5.97332
_cell_length_c 9.53205
_cell_angle_alpha 51.16567
_cell_angle_beta 89.99956
_cell_angle_gamma 89.99955
_cell_volume 265.25857
_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 0.50000 1.00000 1.00000
Nd1 Nd 0.00000 0.00000 1.00000 1.00000
Nd2 Nd 0.50000 0.00000 0.50000 1.00000
Sm1 Sm 0.00000 0.76246 0.73774 1.00000
Sm2 Sm 1.00000 0.23754 0.26225 1.00000
Sm3 Sm 0.50000 0.73788 0.26263 1.00000
Sm4 Sm 0.50000 0.26212 0.73737 1.00000
Sc1 Sc 0.00000 0.49999 0.50000 1.00000
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