Pm3I3N2
Alexandria ALEXAlex-ID: agm010070058 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_151_spg63
Pm2I3N PmN
2024-11-17 05:36:53.434490
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010070058).
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 agm010070058
data_agm010070058
_cell_length_a 10.89089
_cell_length_b 10.89089
_cell_length_c 12.03062
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 158.70545
_cell_volume 518.22195
_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 0.30542 0.69458 0.56755 1.00000
Pm2 Pm 0.69458 0.30542 0.06755 1.00000
Pm3 Pm 0.30542 0.69458 0.93245 1.00000
Pm4 Pm 0.69458 0.30542 0.43245 1.00000
Pm5 Pm 0.68058 0.31942 0.75000 1.00000
Pm6 Pm 0.31942 0.68058 0.25000 1.00000
I1 I 0.09977 0.90023 0.58465 1.00000
I2 I 0.90023 0.09977 0.08465 1.00000
I3 I 0.09977 0.90023 0.91535 1.00000
I4 I 0.90023 0.09977 0.41535 1.00000
I5 I 0.41364 0.58636 0.75000 1.00000
I6 I 0.58636 0.41364 0.25000 1.00000
N1 N 0.25126 0.74874 0.10460 1.00000
N2 N 0.74874 0.25126 0.60460 1.00000
N3 N 0.25126 0.74874 0.39540 1.00000
N4 N 0.74874 0.25126 0.89540 1.00000
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