Pm8P3Se3N
Alexandria ALEXAlex-ID: agm004691069 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D8_3_spg12
Pm2PSe Pm6N5 Pm
2023-02-12 10:56:47.789448
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004691069).
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 agm004691069
data_agm004691069
_cell_length_a 8.12791
_cell_length_b 8.12755
_cell_length_c 8.32301
_cell_angle_alpha 119.22962
_cell_angle_beta 89.99983
_cell_angle_gamma 120.00208
_cell_volume 393.23461
_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 0.25706 0.51412 0.27117 1.00000
Pm2 Pm 0.74294 0.48588 0.72883 1.00000
Pm3 Pm 0.77690 0.55380 0.28784 1.00000
Pm4 Pm 0.22310 0.44620 0.71216 1.00000
Pm5 Pm 0.77688 0.01095 0.28783 1.00000
Pm6 Pm 0.22312 0.98905 0.71217 1.00000
Pm7 Pm 0.23406 0.01095 0.28783 1.00000
Pm8 Pm 0.76594 0.98905 0.71217 1.00000
P1 P 0.50000 0.00000 0.50000 1.00000
P2 P 0.50000 0.50000 0.50000 1.00000
P3 P 0.00000 0.50000 0.50000 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
Se2 Se 0.00000 0.50000 0.00000 1.00000
Se3 Se 0.50000 0.50000 0.00000 1.00000
N1 N 0.00000 0.00000 0.50000 1.00000
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