PrNd2Sm5Er
Alexandria ALEXAlex-ID: agm005147752 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_205_spg140
Nd3Sm5 Nd(SmEr3)2 PrSm4 Nd
2023-01-19 13:54:35.589878
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005147752).
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 agm005147752
data_agm005147752
_cell_length_a 8.85151
_cell_length_b 8.85151
_cell_length_c 10.08427
_cell_angle_alpha 116.03224
_cell_angle_beta 116.03224
_cell_angle_gamma 90.00000
_cell_volume 619.49358
_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 0.25000 0.25000 0.50000 1.00000
Pr2 Pr 0.75000 0.75000 0.50000 1.00000
Nd1 Nd 0.11739 0.38261 0.00000 1.00000
Nd2 Nd 0.61739 0.11739 0.00000 1.00000
Nd3 Nd 0.38261 0.88261 1.00000 1.00000
Nd4 Nd 0.88261 0.61739 0.00000 1.00000
Sm1 Sm 0.92839 0.42839 0.27669 1.00000
Sm2 Sm 0.65169 0.15169 0.72331 1.00000
Sm3 Sm 0.07161 0.57161 0.72331 1.00000
Sm4 Sm 0.15169 0.07161 0.72331 1.00000
Sm5 Sm 0.57161 0.65169 0.72331 1.00000
Sm6 Sm 0.84831 0.92839 0.27669 1.00000
Sm7 Sm 0.42839 0.34831 0.27669 1.00000
Sm8 Sm 0.34831 0.84831 0.27669 1.00000
Sm9 Sm 0.50000 0.50000 0.00000 1.00000
Sm10 Sm 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.25000 0.75000 0.50000 1.00000
Er2 Er 0.75000 0.25000 0.50000 1.00000
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