Pr4I5N2
Alexandria ALEXAlex-ID: agm005656582 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_975_spg12
Pr2IN Pr2I3N
2023-06-22 08:21:40.873492
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656582).
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 agm005656582
data_agm005656582
_cell_length_a 3.98222
_cell_length_b 7.99283
_cell_length_c 13.51738
_cell_angle_alpha 113.85712
_cell_angle_beta 98.47050
_cell_angle_gamma 90.00000
_cell_volume 388.34889
_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
Pr1 Pr 0.39858 0.15159 0.79717 1.00000
Pr2 Pr 0.95536 0.61040 0.91071 1.00000
Pr3 Pr 0.60142 0.84841 0.20283 1.00000
Pr4 Pr 0.04464 0.38960 0.08929 1.00000
I1 I 0.82032 0.26586 0.64064 1.00000
I2 I 0.17968 0.73414 0.35936 1.00000
I3 I 0.85503 0.79424 0.71006 1.00000
I4 I 0.50000 0.00000 0.00000 1.00000
I5 I 0.14497 0.20576 0.28994 1.00000
N1 N 0.95204 0.31288 0.90408 1.00000
N2 N 0.04796 0.68712 0.09592 1.00000
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