Pm2NdSm5Y
Alexandria ALEXAlex-ID: agm005153399 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_205_spg140
PmSm2 PmNd3Y4 NdSm5 Pm3NdY4
2023-01-19 20:08:00.617160
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005153399).
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 agm005153399
data_agm005153399
_cell_length_a 8.85500
_cell_length_b 8.85500
_cell_length_c 10.07030
_cell_angle_alpha 116.08213
_cell_angle_beta 116.08213
_cell_angle_gamma 90.00000
_cell_volume 618.43064
_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 0.11675 0.38325 0.00000 1.00000
Pm2 Pm 0.61675 0.11675 0.00000 1.00000
Pm3 Pm 0.38325 0.88325 1.00000 1.00000
Pm4 Pm 0.88325 0.61675 0.00000 1.00000
Nd1 Nd 0.25000 0.25000 0.50000 1.00000
Nd2 Nd 0.75000 0.75000 0.50000 1.00000
Sm1 Sm 0.92749 0.42749 0.27536 1.00000
Sm2 Sm 0.65213 0.15213 0.72464 1.00000
Sm3 Sm 0.07251 0.57251 0.72464 1.00000
Sm4 Sm 0.15213 0.07251 0.72464 1.00000
Sm5 Sm 0.57251 0.65213 0.72464 1.00000
Sm6 Sm 0.84787 0.92749 0.27536 1.00000
Sm7 Sm 0.42749 0.34787 0.27536 1.00000
Sm8 Sm 0.34787 0.84787 0.27536 1.00000
Sm9 Sm 0.50000 0.50000 0.00000 1.00000
Sm10 Sm 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.25000 0.75000 0.50000 1.00000
Y2 Y 0.75000 0.25000 0.50000 1.00000
Get direct link