PmSN
Alexandria ALEXAlex-ID: agm005609440 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_11009_spg11
Pm4S3N2 PmSN4 Pm2S3
2023-06-18 04:50:57.669887
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609440).
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 agm005609440
data_agm005609440
_cell_length_a 3.99466
_cell_length_b 8.26156
_cell_length_c 9.15295
_cell_angle_alpha 127.86453
_cell_angle_beta 150.80990
_cell_angle_gamma 61.20876
_cell_volume 115.14518
_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 0.74971 0.74275 0.02300 1.00000
Pm2 Pm 0.17334 0.28148 0.75511 1.00000
S1 S 0.25970 0.82413 0.56809 1.00000
S2 S 0.66334 0.20010 0.21002 1.00000
N1 N 0.65670 0.62223 0.16645 1.00000
N2 N 0.26634 0.40200 0.61166 1.00000
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