PmNd5Sm12
Alexandria ALEXAlex-ID: agm063391360 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_135_spg2
Nd3Sm5 NdSm5 PmNd3Sm4
2025-02-28 01:00:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063391360).
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 agm063391360
data_agm063391360
_cell_length_a 6.35997
_cell_length_b 6.35997
_cell_length_c 17.76046
_cell_angle_alpha 86.59850
_cell_angle_beta 93.40150
_cell_angle_gamma 59.96804
_cell_volume 617.55130
_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 0.00000 0.00000 0.50000 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Nd2 Nd 0.16672 0.16672 0.00000 1.00000
Nd3 Nd 0.83328 0.83328 0.00000 1.00000
Nd4 Nd 0.66667 0.66667 0.50000 1.00000
Nd5 Nd 0.33333 0.33333 0.50000 1.00000
Sm1 Sm 0.11094 0.88906 0.83299 1.00000
Sm2 Sm 0.88906 0.11094 0.16701 1.00000
Sm3 Sm 0.38837 0.61163 0.66660 1.00000
Sm4 Sm 0.61163 0.38837 0.33340 1.00000
Sm5 Sm 0.05546 0.27743 0.66661 1.00000
Sm6 Sm 0.27743 0.05546 0.33339 1.00000
Sm7 Sm 0.72257 0.94454 0.66661 1.00000
Sm8 Sm 0.94454 0.72257 0.33339 1.00000
Sm9 Sm 0.22241 0.44426 0.16710 1.00000
Sm10 Sm 0.55574 0.77759 0.16710 1.00000
Sm11 Sm 0.44426 0.22241 0.83290 1.00000
Sm12 Sm 0.77759 0.55574 0.83290 1.00000
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