Pm2Sm5N5
Alexandria ALEXAlex-ID: agm005647525 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_175_spg12
Sm6N5 Pm6N5 Pm
2023-06-19 05:19:12.758003
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647525).
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 agm005647525
data_agm005647525
_cell_length_a 3.48592
_cell_length_b 6.25205
_cell_length_c 12.51443
_cell_angle_alpha 102.07915
_cell_angle_beta 90.00000
_cell_angle_gamma 106.18752
_cell_volume 255.63436
_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 0.06341 0.12681 0.81171 1.00000
Pm2 Pm 0.93659 0.87319 0.18829 1.00000
Sm1 Sm 0.50000 0.00000 0.50000 1.00000
Sm2 Sm 0.64912 0.29825 0.06034 1.00000
Sm3 Sm 0.72257 0.44514 0.37701 1.00000
Sm4 Sm 0.27743 0.55486 0.62299 1.00000
Sm5 Sm 0.35088 0.70175 0.93966 1.00000
N1 N 0.13292 0.26584 0.45402 1.00000
N2 N 0.68901 0.37802 0.88498 1.00000
N3 N 0.31099 0.62198 0.11502 1.00000
N4 N 0.86708 0.73416 0.54598 1.00000
N5 N 0.00000 0.00000 0.00000 1.00000
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